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_G 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 0.000 174.772 174.700 0.121 0.000 1.109 2 T CA 0.000 62.156 62.100 0.092 0.000 1.349 2 T CB 0.000 68.900 68.868 0.053 0.000 0.612 3 Y N 5.038 125.352 120.300 0.023 0.000 2.341 3 Y HA 0.585 5.135 4.550 -0.000 0.000 0.340 3 Y C 0.818 176.740 175.900 0.038 0.000 0.997 3 Y CA 0.088 58.208 58.100 0.032 0.000 1.149 3 Y CB 1.204 39.687 38.460 0.039 0.000 1.171 3 Y HN 0.796 nan 8.280 nan 0.000 0.494 4 T N 0.921 115.302 114.554 -0.289 0.000 2.948 4 T HA 0.301 4.651 4.350 -0.000 0.000 0.285 4 T C 0.964 175.575 174.700 -0.148 0.000 1.019 4 T CA -0.652 61.360 62.100 -0.146 0.000 1.013 4 T CB 1.209 70.006 68.868 -0.118 0.000 1.117 4 T HN 0.415 nan 8.240 nan 0.000 0.533 5 V N 1.845 121.728 119.914 -0.051 0.000 2.282 5 V HA -0.101 4.018 4.120 -0.000 0.000 0.249 5 V C 2.919 179.002 176.094 -0.017 0.000 1.057 5 V CA 2.587 64.870 62.300 -0.028 0.000 1.032 5 V CB -1.535 30.263 31.823 -0.043 0.000 0.645 5 V HN 1.116 nan 8.190 nan 0.000 0.447 6 G N -0.983 107.781 108.800 -0.061 0.000 2.422 6 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 6 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 6 G C 1.587 176.424 174.900 -0.105 0.000 1.146 6 G CA 1.063 46.123 45.100 -0.066 0.000 0.769 6 G HN 0.464 nan 8.290 nan 0.000 0.547 7 M N -1.041 118.428 119.600 -0.218 0.000 2.175 7 M HA 0.040 4.520 4.480 -0.000 0.000 0.264 7 M C 2.343 178.522 176.300 -0.202 0.000 1.063 7 M CA 0.971 56.065 55.300 -0.343 0.000 1.119 7 M CB -0.325 31.812 32.600 -0.771 0.000 1.377 7 M HN 0.300 nan 8.290 nan 0.000 0.415 8 Y N 1.370 121.545 120.300 -0.208 0.000 2.128 8 Y HA -0.280 4.269 4.550 -0.000 0.000 0.284 8 Y C 2.179 178.087 175.900 0.013 0.000 1.154 8 Y CA 1.730 59.876 58.100 0.077 0.000 1.149 8 Y CB -0.339 38.194 38.460 0.123 0.000 0.976 8 Y HN 0.101 nan 8.280 nan 0.000 0.505 9 L N 0.630 121.973 121.223 0.200 0.000 2.042 9 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 9 L C 2.431 179.274 176.870 -0.045 0.000 1.076 9 L CA 2.235 57.124 54.840 0.081 0.000 0.749 9 L CB -1.340 40.735 42.059 0.027 0.000 0.893 9 L HN 0.268 nan 8.230 nan 0.000 0.432 10 A N -0.866 121.905 122.820 -0.082 0.000 1.877 10 A HA -0.282 4.038 4.320 -0.000 0.000 0.216 10 A C 2.343 179.871 177.584 -0.094 0.000 1.186 10 A CA 1.882 53.847 52.037 -0.121 0.000 0.620 10 A CB -0.788 18.140 19.000 -0.120 0.000 0.822 10 A HN 0.617 nan 8.150 nan 0.000 0.443 11 E N -0.911 119.243 120.200 -0.077 0.000 2.106 11 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 11 E C 2.241 178.771 176.600 -0.118 0.000 0.984 11 E CA 0.675 57.029 56.400 -0.076 0.000 0.806 11 E CB 0.013 29.692 29.700 -0.035 0.000 0.750 11 E HN 0.317 nan 8.360 nan 0.000 0.458 12 R N 0.231 120.634 120.500 -0.163 0.000 2.075 12 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 12 R C 2.456 178.712 176.300 -0.073 0.000 1.126 12 R CA 0.769 56.787 56.100 -0.136 0.000 0.963 12 R CB -0.717 29.506 30.300 -0.128 0.000 0.858 12 R HN 0.324 nan 8.270 nan 0.000 0.435 13 L N 0.223 121.405 121.223 -0.069 0.000 2.083 13 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 13 L C 2.443 179.292 176.870 -0.035 0.000 1.083 13 L CA 0.954 55.764 54.840 -0.051 0.000 0.752 13 L CB -0.536 41.473 42.059 -0.083 0.000 0.899 13 L HN -0.062 nan 8.230 nan 0.000 0.433 14 V N -0.498 119.387 119.914 -0.049 0.000 2.407 14 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 14 V C 2.402 178.480 176.094 -0.027 0.000 1.055 14 V CA 1.627 63.905 62.300 -0.035 0.000 1.049 14 V CB -0.484 31.314 31.823 -0.042 0.000 0.662 14 V HN 0.503 nan 8.190 nan 0.000 0.455 15 Q N -0.704 119.072 119.800 -0.040 0.000 2.224 15 Q HA -0.083 4.257 4.340 -0.000 0.000 0.203 15 Q C 2.200 178.188 176.000 -0.020 0.000 0.970 15 Q CA 1.266 57.048 55.803 -0.035 0.000 0.865 15 Q CB -0.152 28.554 28.738 -0.054 0.000 0.922 15 Q HN 0.610 nan 8.270 nan 0.000 0.445 16 I N -0.700 119.863 120.570 -0.012 0.000 2.361 16 I HA -0.157 4.012 4.170 -0.000 0.000 0.251 16 I C 1.335 177.463 176.117 0.019 0.000 1.133 16 I CA 1.144 62.447 61.300 0.005 0.000 1.413 16 I CB -0.116 37.895 38.000 0.017 0.000 1.073 16 I HN 0.424 nan 8.210 nan 0.000 0.424 17 G N 0.516 109.329 108.800 0.022 0.000 2.154 17 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.186 17 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.186 17 G C -0.116 174.832 174.900 0.079 0.000 1.000 17 G CA -0.676 44.444 45.100 0.034 0.000 0.664 17 G HN 0.065 nan 8.290 nan 0.000 0.513 18 L N 0.645 121.924 121.223 0.094 0.000 2.416 18 L HA 0.473 4.813 4.340 -0.000 0.000 0.272 18 L C 1.449 178.370 176.870 0.086 0.000 1.161 18 L CA 0.451 55.386 54.840 0.159 0.000 0.845 18 L CB 0.972 43.088 42.059 0.096 0.000 1.119 18 L HN 0.075 nan 8.230 nan 0.000 0.464 19 K N 1.933 122.417 120.400 0.140 0.000 2.402 19 K HA 0.261 4.581 4.320 -0.000 0.000 0.204 19 K C -0.501 175.775 176.600 -0.540 0.000 1.056 19 K CA -0.025 56.183 56.287 -0.132 0.000 1.069 19 K CB 0.615 33.056 32.500 -0.098 0.000 0.888 19 K HN 0.615 nan 8.250 nan 0.000 0.546 20 H N -0.097 118.859 119.070 -0.191 0.000 2.996 20 H HA 0.317 4.873 4.556 -0.000 0.000 0.368 20 H C -0.565 174.393 175.328 -0.616 0.000 1.185 20 H CA -0.930 54.789 56.048 -0.549 0.000 1.160 20 H CB 1.310 30.570 29.762 -0.836 0.000 1.820 20 H HN 0.057 nan 8.280 nan 0.000 0.547 21 H N 0.561 119.288 119.070 -0.571 0.000 2.821 21 H HA 0.477 5.033 4.556 -0.000 0.000 0.373 21 H C -1.562 173.396 175.328 -0.616 0.000 1.165 21 H CA -1.004 54.764 56.048 -0.466 0.000 1.154 21 H CB 1.173 30.811 29.762 -0.206 0.000 1.765 21 H HN 0.353 nan 8.280 nan 0.000 0.549 22 F N 0.695 120.556 119.950 -0.148 0.000 2.450 22 F HA 0.707 5.234 4.527 -0.000 0.000 0.332 22 F C 0.299 176.104 175.800 0.009 0.000 1.093 22 F CA -0.431 57.493 58.000 -0.127 0.000 1.003 22 F CB 2.096 41.054 39.000 -0.068 0.000 1.151 22 F HN 0.867 nan 8.300 nan 0.000 0.474 23 A N 1.491 124.435 122.820 0.208 0.000 2.572 23 A HA 0.843 5.163 4.320 -0.000 0.000 0.295 23 A C -1.883 175.886 177.584 0.309 0.000 1.072 23 A CA -0.742 51.452 52.037 0.262 0.000 0.691 23 A CB 1.577 20.752 19.000 0.292 0.000 1.291 23 A HN 0.499 nan 8.150 nan 0.000 0.404 24 V N 1.311 121.358 119.914 0.221 0.000 2.487 24 V HA 0.670 4.790 4.120 -0.000 0.000 0.298 24 V C 0.688 176.861 176.094 0.131 0.000 1.028 24 V CA -0.343 62.059 62.300 0.169 0.000 0.860 24 V CB 1.345 33.239 31.823 0.118 0.000 0.991 24 V HN 1.453 nan 8.190 nan 0.000 0.427 25 A N 3.398 126.266 122.820 0.080 0.000 2.445 25 A HA 0.797 5.117 4.320 -0.000 0.000 0.242 25 A C 0.572 178.200 177.584 0.073 0.000 1.075 25 A CA 0.579 52.650 52.037 0.056 0.000 0.777 25 A CB 0.419 19.406 19.000 -0.021 0.000 1.013 25 A HN 1.409 nan 8.150 nan 0.000 0.493 26 G N 0.395 109.254 108.800 0.097 0.000 2.698 26 G HA2 0.459 4.419 3.960 -0.000 0.000 0.293 26 G HA3 0.459 4.419 3.960 -0.000 0.000 0.293 26 G C 0.053 175.021 174.900 0.113 0.000 1.437 26 G CA 0.231 45.408 45.100 0.128 0.000 0.852 26 G HN 0.681 nan 8.290 nan 0.000 0.499 27 D N -0.305 120.134 120.400 0.065 0.000 2.190 27 D HA -0.219 4.420 4.640 -0.000 0.000 0.200 27 D C 1.232 177.532 176.300 0.000 0.000 0.992 27 D CA 1.403 55.387 54.000 -0.027 0.000 0.854 27 D CB -0.197 40.519 40.800 -0.140 0.000 0.936 27 D HN 0.366 nan 8.370 nan 0.000 0.462 28 Y N 0.988 121.377 120.300 0.149 0.000 2.571 28 Y HA -0.006 4.544 4.550 -0.000 0.000 0.294 28 Y C 1.522 177.462 175.900 0.066 0.000 1.141 28 Y CA 1.182 59.337 58.100 0.091 0.000 1.308 28 Y CB -0.378 38.145 38.460 0.105 0.000 1.002 28 Y HN 0.263 nan 8.280 nan 0.000 0.551 29 N N -1.669 117.154 118.700 0.206 0.000 2.143 29 N HA 0.031 4.771 4.740 -0.000 0.000 0.222 29 N C 0.899 176.468 175.510 0.098 0.000 1.264 29 N CA 0.165 53.300 53.050 0.141 0.000 0.897 29 N CB -0.862 37.711 38.487 0.144 0.000 1.092 29 N HN 0.237 nan 8.380 nan 0.000 0.516 30 L N 0.074 121.345 121.223 0.080 0.000 2.012 30 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 30 L C 1.958 178.855 176.870 0.045 0.000 1.073 30 L CA 1.265 56.136 54.840 0.053 0.000 0.748 30 L CB -0.580 41.495 42.059 0.028 0.000 0.891 30 L HN 0.014 nan 8.230 nan 0.000 0.431 31 V N 0.002 119.939 119.914 0.038 0.000 2.343 31 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 31 V C 2.430 178.538 176.094 0.023 0.000 1.051 31 V CA 1.701 64.017 62.300 0.026 0.000 1.036 31 V CB -0.469 31.366 31.823 0.020 0.000 0.654 31 V HN 0.329 nan 8.190 nan 0.000 0.451 32 L N -0.150 121.092 121.223 0.032 0.000 2.012 32 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 32 L C 2.221 179.108 176.870 0.028 0.000 1.073 32 L CA 1.931 56.783 54.840 0.020 0.000 0.748 32 L CB -0.609 41.465 42.059 0.026 0.000 0.891 32 L HN 0.212 nan 8.230 nan 0.000 0.431 33 L N -0.637 120.624 121.223 0.064 0.000 2.079 33 L HA -0.242 4.097 4.340 -0.000 0.000 0.210 33 L C 2.309 179.231 176.870 0.085 0.000 1.081 33 L CA 1.416 56.319 54.840 0.105 0.000 0.752 33 L CB -0.996 41.147 42.059 0.140 0.000 0.896 33 L HN 0.322 nan 8.230 nan 0.000 0.433 34 D N -0.447 119.985 120.400 0.053 0.000 2.104 34 D HA -0.184 4.456 4.640 -0.000 0.000 0.194 34 D C 2.372 178.680 176.300 0.014 0.000 0.994 34 D CA 1.035 55.056 54.000 0.035 0.000 0.830 34 D CB -0.166 40.645 40.800 0.020 0.000 0.959 34 D HN 0.285 nan 8.370 nan 0.000 0.452 35 Q N 0.227 120.023 119.800 -0.007 0.000 2.084 35 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 35 Q C 2.668 178.638 176.000 -0.049 0.000 0.978 35 Q CA 0.571 56.347 55.803 -0.044 0.000 0.844 35 Q CB -0.616 28.083 28.738 -0.066 0.000 0.898 35 Q HN 0.385 nan 8.270 nan 0.000 0.426 36 L N -0.018 121.185 121.223 -0.034 0.000 2.141 36 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 36 L C 2.312 179.198 176.870 0.027 0.000 1.094 36 L CA 0.615 55.424 54.840 -0.052 0.000 0.763 36 L CB -0.413 41.580 42.059 -0.111 0.000 0.908 36 L HN 0.149 nan 8.230 nan 0.000 0.437 37 L N -0.611 120.648 121.223 0.060 0.000 2.275 37 L HA -0.185 4.155 4.340 -0.000 0.000 0.215 37 L C 2.250 179.135 176.870 0.026 0.000 1.119 37 L CA 0.791 55.669 54.840 0.063 0.000 0.790 37 L CB -0.255 41.848 42.059 0.073 0.000 0.919 37 L HN 0.287 nan 8.230 nan 0.000 0.443 38 L N -0.737 120.489 121.223 0.005 0.000 2.465 38 L HA -0.092 4.248 4.340 -0.000 0.000 0.224 38 L C 1.035 177.900 176.870 -0.008 0.000 1.145 38 L CA 0.224 55.060 54.840 -0.006 0.000 0.834 38 L CB -0.419 41.627 42.059 -0.022 0.000 0.944 38 L HN 0.262 nan 8.230 nan 0.000 0.451 39 N N 0.929 119.621 118.700 -0.013 0.000 2.437 39 N HA 0.016 4.756 4.740 -0.000 0.000 0.243 39 N C 0.555 176.056 175.510 -0.015 0.000 1.041 39 N CA -0.025 53.016 53.050 -0.015 0.000 0.940 39 N CB 1.002 39.471 38.487 -0.031 0.000 1.133 39 N HN -0.055 nan 8.380 nan 0.000 0.506 40 K N 1.705 122.095 120.400 -0.016 0.000 2.525 40 K HA 0.017 4.337 4.320 -0.000 0.000 0.192 40 K C 0.192 176.767 176.600 -0.042 0.000 1.029 40 K CA 0.371 56.644 56.287 -0.024 0.000 1.029 40 K CB 0.361 32.851 32.500 -0.015 0.000 0.814 40 K HN 0.514 nan 8.250 nan 0.000 0.503 41 D N 0.766 121.141 120.400 -0.042 0.000 2.355 41 D HA 0.006 4.646 4.640 -0.000 0.000 0.218 41 D C 0.959 177.205 176.300 -0.090 0.000 1.004 41 D CA 0.480 54.447 54.000 -0.056 0.000 0.880 41 D CB 0.193 40.968 40.800 -0.041 0.000 0.911 41 D HN 0.344 nan 8.370 nan 0.000 0.528 42 M N -1.901 117.641 119.600 -0.097 0.000 2.618 42 M HA 0.460 4.940 4.480 -0.000 0.000 0.281 42 M C -1.395 174.794 176.300 -0.186 0.000 1.267 42 M CA -0.985 54.216 55.300 -0.166 0.000 0.845 42 M CB 2.841 35.382 32.600 -0.098 0.000 1.732 42 M HN -0.481 nan 8.290 nan 0.000 0.461 43 K N 1.555 121.746 120.400 -0.349 0.000 2.164 43 K HA 0.380 4.700 4.320 -0.000 0.000 0.258 43 K C -1.300 174.976 176.600 -0.540 0.000 0.951 43 K CA -0.625 55.457 56.287 -0.341 0.000 0.844 43 K CB 2.436 34.750 32.500 -0.309 0.000 1.099 43 K HN 0.738 nan 8.250 nan 0.000 0.435 44 Q N 3.765 123.225 119.800 -0.567 0.000 2.331 44 Q HA 0.330 4.670 4.340 -0.000 0.000 0.257 44 Q C -0.846 174.577 176.000 -0.962 0.000 0.957 44 Q CA -0.581 54.654 55.803 -0.946 0.000 0.923 44 Q CB 0.549 28.989 28.738 -0.497 0.000 1.212 44 Q HN 0.628 nan 8.270 nan 0.000 0.443 45 I N 0.863 120.812 120.570 -1.034 0.000 2.693 45 I HA 0.551 4.721 4.170 -0.000 0.000 0.303 45 I C -1.602 174.117 176.117 -0.663 0.000 1.025 45 I CA -0.917 59.836 61.300 -0.913 0.000 1.086 45 I CB 1.367 38.825 38.000 -0.904 0.000 1.268 45 I HN 0.421 nan 8.210 nan 0.000 0.440 46 Y N 3.265 123.696 120.300 0.218 0.000 2.446 46 Y HA 0.716 5.266 4.550 -0.000 0.000 0.338 46 Y C 0.045 176.089 175.900 0.240 0.000 1.055 46 Y CA -0.950 57.272 58.100 0.204 0.000 1.101 46 Y CB 1.595 40.144 38.460 0.149 0.000 1.221 46 Y HN 0.680 nan 8.280 nan 0.000 0.460 47 C N -0.043 119.454 119.300 0.328 0.000 2.595 47 C HA 0.383 4.843 4.460 -0.000 0.000 0.338 47 C C 1.511 176.560 174.990 0.098 0.000 1.219 47 C CA -0.624 58.502 59.018 0.179 0.000 1.811 47 C CB 1.517 29.360 27.740 0.171 0.000 2.313 47 C HN 1.122 nan 8.230 nan 0.000 0.499 48 C N 1.433 120.742 119.300 0.014 0.000 2.489 48 C HA 0.006 4.466 4.460 -0.000 0.000 0.279 48 C C 0.990 175.994 174.990 0.023 0.000 1.266 48 C CA 0.994 60.009 59.018 -0.004 0.000 1.707 48 C CB -1.443 26.264 27.740 -0.055 0.000 2.059 48 C HN 1.008 nan 8.230 nan 0.000 0.481 49 N N -0.484 118.232 118.700 0.028 0.000 2.571 49 N HA 0.314 5.054 4.740 -0.000 0.000 0.273 49 N C -0.363 175.173 175.510 0.043 0.000 1.340 49 N CA -0.591 52.482 53.050 0.038 0.000 0.789 49 N CB 0.451 38.961 38.487 0.038 0.000 1.514 49 N HN -0.061 nan 8.380 nan 0.000 0.499 50 E N -0.454 119.767 120.200 0.035 0.000 2.208 50 E HA 0.027 4.376 4.350 -0.000 0.000 0.193 50 E C 1.356 177.946 176.600 -0.017 0.000 0.988 50 E CA 0.390 56.803 56.400 0.022 0.000 0.828 50 E CB -0.159 29.552 29.700 0.017 0.000 0.763 50 E HN 0.536 nan 8.360 nan 0.000 0.478 51 L N 1.082 122.300 121.223 -0.008 0.000 2.017 51 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 51 L C 1.374 178.230 176.870 -0.024 0.000 1.073 51 L CA 1.784 56.593 54.840 -0.052 0.000 0.745 51 L CB -0.454 41.634 42.059 0.048 0.000 0.894 51 L HN 0.035 nan 8.230 nan 0.000 0.432 52 N N -1.062 117.679 118.700 0.068 0.000 2.166 52 N HA -0.209 4.531 4.740 -0.000 0.000 0.186 52 N C 2.026 177.566 175.510 0.052 0.000 1.019 52 N CA 1.447 54.557 53.050 0.101 0.000 0.856 52 N CB -1.127 37.386 38.487 0.045 0.000 0.993 52 N HN 0.536 nan 8.380 nan 0.000 0.426 53 C N 0.521 119.838 119.300 0.028 0.000 2.413 53 C HA -0.051 4.409 4.460 -0.000 0.000 0.277 53 C C 2.764 177.715 174.990 -0.065 0.000 1.228 53 C CA 1.443 60.477 59.018 0.027 0.000 1.731 53 C CB -1.302 26.483 27.740 0.075 0.000 2.042 53 C HN 0.535 nan 8.230 nan 0.000 0.468 54 G N -0.929 107.810 108.800 -0.102 0.000 2.446 54 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 54 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 54 G C 1.342 176.147 174.900 -0.158 0.000 1.168 54 G CA 0.861 45.855 45.100 -0.177 0.000 0.771 54 G HN 0.483 nan 8.290 nan 0.000 0.551 55 F N 1.725 121.640 119.950 -0.059 0.000 2.293 55 F HA 0.046 4.572 4.527 -0.000 0.000 0.300 55 F C 2.982 178.691 175.800 -0.151 0.000 1.086 55 F CA 0.828 58.801 58.000 -0.044 0.000 1.375 55 F CB -0.390 38.600 39.000 -0.016 0.000 1.045 55 F HN 0.085 nan 8.300 nan 0.000 0.516 56 S N -0.040 115.613 115.700 -0.077 0.000 2.368 56 S HA -0.159 4.311 4.470 -0.000 0.000 0.225 56 S C 2.427 176.605 174.600 -0.703 0.000 1.030 56 S CA 1.052 59.011 58.200 -0.402 0.000 0.999 56 S CB -0.639 62.235 63.200 -0.543 0.000 0.844 56 S HN 0.353 nan 8.310 nan 0.000 0.459 57 A N 1.611 124.075 122.820 -0.594 0.000 1.902 57 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 57 A C 2.093 179.659 177.584 -0.029 0.000 1.181 57 A CA 1.495 53.349 52.037 -0.306 0.000 0.623 57 A CB -0.601 18.341 19.000 -0.097 0.000 0.818 57 A HN 0.456 nan 8.150 nan 0.000 0.443 58 E N -0.114 120.104 120.200 0.030 0.000 2.070 58 E HA -0.193 4.157 4.350 -0.000 0.000 0.197 58 E C 2.167 178.866 176.600 0.165 0.000 1.004 58 E CA 1.557 58.050 56.400 0.156 0.000 0.805 58 E CB -0.550 29.351 29.700 0.335 0.000 0.744 58 E HN 0.499 nan 8.360 nan 0.000 0.451 59 G N -0.272 108.583 108.800 0.093 0.000 2.418 59 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 59 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 59 G C 1.554 176.487 174.900 0.056 0.000 1.158 59 G CA 0.937 46.063 45.100 0.043 0.000 0.771 59 G HN 0.385 nan 8.290 nan 0.000 0.545 60 Y N 1.892 122.143 120.300 -0.081 0.000 2.165 60 Y HA -0.058 4.492 4.550 -0.000 0.000 0.286 60 Y C 2.994 178.918 175.900 0.040 0.000 1.155 60 Y CA 1.516 59.615 58.100 -0.003 0.000 1.164 60 Y CB -0.238 38.291 38.460 0.115 0.000 0.978 60 Y HN 0.260 nan 8.280 nan 0.000 0.513 61 A N 0.351 123.302 122.820 0.218 0.000 1.940 61 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 61 A C 2.238 179.854 177.584 0.054 0.000 1.176 61 A CA 1.964 54.082 52.037 0.135 0.000 0.631 61 A CB -0.651 18.423 19.000 0.123 0.000 0.814 61 A HN 0.545 nan 8.150 nan 0.000 0.446 62 R N -0.093 120.447 120.500 0.067 0.000 2.096 62 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 62 R C 2.550 178.857 176.300 0.011 0.000 1.127 62 R CA 1.845 57.984 56.100 0.066 0.000 0.968 62 R CB -0.242 30.136 30.300 0.129 0.000 0.861 62 R HN 0.744 nan 8.270 nan 0.000 0.440 63 S N -0.999 114.670 115.700 -0.051 0.000 2.475 63 S HA -0.003 4.466 4.470 -0.000 0.000 0.224 63 S C 1.565 176.073 174.600 -0.154 0.000 1.042 63 S CA 0.668 58.812 58.200 -0.093 0.000 0.935 63 S CB 0.005 63.144 63.200 -0.102 0.000 0.801 63 S HN 0.290 nan 8.310 nan 0.000 0.509 64 N N 0.689 119.248 118.700 -0.235 0.000 2.387 64 N HA 0.300 5.039 4.740 -0.000 0.000 0.176 64 N C 1.270 176.744 175.510 -0.060 0.000 1.022 64 N CA 1.161 54.089 53.050 -0.204 0.000 0.883 64 N CB 0.325 38.582 38.487 -0.383 0.000 1.019 64 N HN 0.542 nan 8.380 nan 0.000 0.435 65 G N -1.128 107.658 108.800 -0.022 0.000 2.481 65 G HA2 0.104 4.063 3.960 -0.000 0.000 0.200 65 G HA3 0.104 4.063 3.960 -0.000 0.000 0.200 65 G C 0.019 174.939 174.900 0.034 0.000 1.012 65 G CA -0.008 45.092 45.100 0.001 0.000 0.676 65 G HN 0.742 nan 8.290 nan 0.000 0.488 66 A N -0.906 121.967 122.820 0.087 0.000 2.581 66 A HA 1.135 5.455 4.320 -0.000 0.000 0.290 66 A C -0.413 177.310 177.584 0.232 0.000 1.119 66 A CA 0.512 52.617 52.037 0.114 0.000 0.670 66 A CB 0.836 19.881 19.000 0.075 0.000 1.280 66 A HN 2.235 nan 8.150 nan 0.000 0.425 67 A N -1.149 121.785 122.820 0.190 0.000 2.599 67 A HA 1.022 5.342 4.320 -0.000 0.000 0.290 67 A C -0.719 176.936 177.584 0.118 0.000 1.101 67 A CA 0.007 52.174 52.037 0.217 0.000 0.674 67 A CB 0.784 19.947 19.000 0.273 0.000 1.277 67 A HN 2.646 nan 8.150 nan 0.000 0.419 68 A N -0.525 122.364 122.820 0.115 0.000 2.486 68 A HA 0.949 5.269 4.320 -0.000 0.000 0.300 68 A C -0.438 177.248 177.584 0.169 0.000 1.048 68 A CA 0.107 52.202 52.037 0.097 0.000 0.696 68 A CB 1.350 20.376 19.000 0.043 0.000 1.278 68 A HN 2.544 nan 8.150 nan 0.000 0.405 69 A N 1.094 123.989 122.820 0.125 0.000 2.414 69 A HA 0.750 5.070 4.320 -0.000 0.000 0.306 69 A C -1.122 176.528 177.584 0.110 0.000 1.054 69 A CA -0.509 51.621 52.037 0.154 0.000 0.724 69 A CB 1.527 20.588 19.000 0.102 0.000 1.267 69 A HN 1.387 nan 8.150 nan 0.000 0.418 70 V N 2.841 122.841 119.914 0.144 0.000 2.409 70 V HA 0.639 4.759 4.120 -0.000 0.000 0.291 70 V C 0.081 176.248 176.094 0.122 0.000 1.020 70 V CA -0.366 62.002 62.300 0.114 0.000 0.848 70 V CB 1.003 32.908 31.823 0.137 0.000 0.990 70 V HN 1.180 nan 8.190 nan 0.000 0.430 71 V N 1.573 121.545 119.914 0.096 0.000 3.158 71 V HA 0.789 4.909 4.120 -0.000 0.000 0.311 71 V C -0.205 175.964 176.094 0.125 0.000 1.181 71 V CA -0.630 61.732 62.300 0.103 0.000 1.054 71 V CB 2.019 33.887 31.823 0.075 0.000 1.085 71 V HN 0.690 nan 8.190 nan 0.000 0.446 72 T N 0.402 115.041 114.554 0.141 0.000 2.934 72 T HA 0.549 4.899 4.350 -0.000 0.000 0.283 72 T C -0.599 174.233 174.700 0.221 0.000 1.005 72 T CA -0.326 61.911 62.100 0.228 0.000 1.041 72 T CB 0.658 69.683 68.868 0.262 0.000 1.042 72 T HN 0.687 nan 8.240 nan 0.000 0.505 73 F N 3.119 123.144 119.950 0.125 0.000 2.607 73 F HA 0.215 4.742 4.527 -0.000 0.000 0.374 73 F C 1.713 177.536 175.800 0.039 0.000 1.104 73 F CA 1.350 59.340 58.000 -0.016 0.000 1.296 73 F CB -0.284 38.505 39.000 -0.351 0.000 1.085 73 F HN 0.915 nan 8.300 nan 0.000 0.584 74 S N 1.166 116.511 115.700 -0.593 0.000 4.024 74 S HA -0.358 4.112 4.470 -0.000 0.000 0.420 74 S C 1.575 176.109 174.600 -0.110 0.000 1.771 74 S CA 2.372 60.380 58.200 -0.321 0.000 4.062 74 S CB -1.835 61.295 63.200 -0.116 0.000 0.800 74 S HN 1.134 nan 8.310 nan 0.000 0.459 75 V N 0.695 120.556 119.914 -0.089 0.000 2.469 75 V HA 0.079 4.199 4.120 -0.000 0.000 0.251 75 V C 2.167 178.220 176.094 -0.069 0.000 1.064 75 V CA 2.584 64.822 62.300 -0.102 0.000 1.066 75 V CB -1.552 30.125 31.823 -0.243 0.000 0.667 75 V HN 0.709 nan 8.190 nan 0.000 0.461 76 G N -0.383 108.384 108.800 -0.055 0.000 2.447 76 G HA2 0.125 4.085 3.960 -0.000 0.000 0.211 76 G HA3 0.125 4.085 3.960 -0.000 0.000 0.211 76 G C 1.721 176.615 174.900 -0.011 0.000 1.184 76 G CA 0.803 45.897 45.100 -0.010 0.000 0.813 76 G HN 0.785 nan 8.290 nan 0.000 0.540 77 A N 0.848 123.653 122.820 -0.024 0.000 1.908 77 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 77 A C 2.391 179.959 177.584 -0.027 0.000 1.181 77 A CA 1.354 53.385 52.037 -0.012 0.000 0.627 77 A CB -0.426 18.560 19.000 -0.024 0.000 0.818 77 A HN 0.376 nan 8.150 nan 0.000 0.445 78 I N 0.670 121.213 120.570 -0.046 0.000 2.179 78 I HA -0.277 3.892 4.170 -0.000 0.000 0.242 78 I C 2.859 178.972 176.117 -0.008 0.000 1.088 78 I CA 1.746 63.030 61.300 -0.026 0.000 1.357 78 I CB -0.314 37.680 38.000 -0.009 0.000 1.051 78 I HN 0.485 nan 8.210 nan 0.000 0.409 79 S N 1.188 116.886 115.700 -0.004 0.000 2.402 79 S HA -0.066 4.404 4.470 -0.000 0.000 0.229 79 S C 2.183 176.758 174.600 -0.041 0.000 1.021 79 S CA 0.735 58.938 58.200 0.004 0.000 0.974 79 S CB -0.564 62.648 63.200 0.020 0.000 0.800 79 S HN 0.422 nan 8.310 nan 0.000 0.484 80 A N 1.854 124.643 122.820 -0.050 0.000 2.019 80 A HA 0.129 4.449 4.320 -0.000 0.000 0.219 80 A C 2.212 179.732 177.584 -0.106 0.000 1.164 80 A CA 1.324 53.305 52.037 -0.093 0.000 0.644 80 A CB -0.803 18.172 19.000 -0.041 0.000 0.805 80 A HN 0.549 nan 8.150 nan 0.000 0.449 81 M N -0.428 119.139 119.600 -0.054 0.000 2.358 81 M HA -0.141 4.339 4.480 -0.000 0.000 0.264 81 M C 2.041 178.317 176.300 -0.041 0.000 1.064 81 M CA 1.046 56.318 55.300 -0.048 0.000 1.093 81 M CB -0.357 32.225 32.600 -0.031 0.000 1.401 81 M HN 0.507 nan 8.290 nan 0.000 0.440 82 N N 0.968 119.661 118.700 -0.010 0.000 2.084 82 N HA -0.110 4.630 4.740 -0.000 0.000 0.190 82 N C 1.604 177.056 175.510 -0.097 0.000 1.030 82 N CA 1.924 55.045 53.050 0.118 0.000 0.849 82 N CB -0.070 38.508 38.487 0.151 0.000 1.012 82 N HN 0.336 nan 8.380 nan 0.000 0.423 83 A N 1.370 123.917 122.820 -0.454 0.000 1.933 83 A HA -0.040 4.279 4.320 -0.000 0.000 0.218 83 A C 2.563 179.910 177.584 -0.395 0.000 1.175 83 A CA 0.752 52.340 52.037 -0.748 0.000 0.628 83 A CB -0.707 17.760 19.000 -0.888 0.000 0.814 83 A HN 0.351 nan 8.150 nan 0.000 0.444 84 L N -0.750 120.317 121.223 -0.260 0.000 2.012 84 L HA -0.185 4.154 4.340 -0.000 0.000 0.210 84 L C 2.845 179.558 176.870 -0.262 0.000 1.073 84 L CA 1.409 56.145 54.840 -0.173 0.000 0.748 84 L CB -0.908 41.103 42.059 -0.079 0.000 0.891 84 L HN 0.518 nan 8.230 nan 0.000 0.431 85 G N -0.666 107.899 108.800 -0.391 0.000 2.440 85 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 85 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 85 G C 1.521 175.615 174.900 -1.344 0.000 1.154 85 G CA 0.788 45.462 45.100 -0.710 0.000 0.767 85 G HN 0.521 nan 8.290 nan 0.000 0.552 86 G N 1.134 108.963 108.800 -1.618 0.000 2.440 86 G HA2 0.004 3.964 3.960 -0.000 0.000 0.218 86 G HA3 0.004 3.964 3.960 -0.000 0.000 0.218 86 G C 2.064 176.689 174.900 -0.458 0.000 1.154 86 G CA 1.587 45.865 45.100 -1.370 0.000 0.767 86 G HN 0.672 nan 8.290 nan 0.000 0.552 87 A N -0.309 122.351 122.820 -0.266 0.000 1.933 87 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 87 A C 2.223 179.754 177.584 -0.089 0.000 1.175 87 A CA 1.689 53.666 52.037 -0.100 0.000 0.628 87 A CB -0.627 18.338 19.000 -0.058 0.000 0.814 87 A HN 0.437 nan 8.150 nan 0.000 0.444 88 Y N 0.426 120.588 120.300 -0.229 0.000 2.145 88 Y HA -0.086 4.464 4.550 -0.000 0.000 0.286 88 Y C 2.745 178.567 175.900 -0.130 0.000 1.145 88 Y CA 1.201 59.204 58.100 -0.161 0.000 1.148 88 Y CB -0.519 37.840 38.460 -0.167 0.000 0.981 88 Y HN 0.313 nan 8.280 nan 0.000 0.507 89 A N -0.170 122.681 122.820 0.051 0.000 1.940 89 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 89 A C 1.736 179.340 177.584 0.033 0.000 1.176 89 A CA 1.910 54.002 52.037 0.091 0.000 0.631 89 A CB -0.400 18.696 19.000 0.161 0.000 0.814 89 A HN 0.478 nan 8.150 nan 0.000 0.446 90 E N 0.273 120.461 120.200 -0.021 0.000 2.451 90 E HA 0.052 4.402 4.350 -0.000 0.000 0.194 90 E C -0.549 176.035 176.600 -0.027 0.000 1.027 90 E CA -0.263 56.127 56.400 -0.017 0.000 0.914 90 E CB -0.278 29.416 29.700 -0.010 0.000 1.054 90 E HN 0.580 nan 8.360 nan 0.000 0.461 91 N N 0.761 119.417 118.700 -0.074 0.000 2.725 91 N HA -0.209 4.531 4.740 -0.000 0.000 0.251 91 N C -0.751 174.710 175.510 -0.082 0.000 1.031 91 N CA 0.660 53.642 53.050 -0.112 0.000 0.720 91 N CB -1.464 36.970 38.487 -0.088 0.000 0.930 91 N HN 0.231 nan 8.380 nan 0.000 0.543 92 L N 0.696 121.878 121.223 -0.070 0.000 2.356 92 L HA 0.415 4.754 4.340 -0.000 0.000 0.277 92 L C -1.997 174.852 176.870 -0.036 0.000 0.996 92 L CA -1.682 53.142 54.840 -0.027 0.000 0.822 92 L CB 2.262 44.336 42.059 0.025 0.000 1.256 92 L HN -0.190 nan 8.230 nan 0.000 0.413 93 P HA 0.089 nan 4.420 nan 0.000 0.244 93 P C -0.373 176.936 177.300 0.015 0.000 1.769 93 P CA -0.087 63.000 63.100 -0.021 0.000 1.102 93 P CB 0.289 31.975 31.700 -0.024 0.000 1.937 94 V N 4.786 124.710 119.914 0.017 0.000 2.530 94 V HA 0.197 4.317 4.120 -0.000 0.000 0.282 94 V C 0.935 177.045 176.094 0.027 0.000 1.048 94 V CA -0.335 61.986 62.300 0.034 0.000 0.997 94 V CB 1.012 32.849 31.823 0.024 0.000 0.987 94 V HN 0.272 nan 8.190 nan 0.000 0.477 95 I N 5.606 126.196 120.570 0.033 0.000 2.330 95 I HA 0.316 4.485 4.170 -0.000 0.000 0.289 95 I C -0.395 175.735 176.117 0.020 0.000 1.001 95 I CA -0.362 60.951 61.300 0.022 0.000 1.193 95 I CB 1.451 39.455 38.000 0.008 0.000 1.345 95 I HN 0.429 nan 8.210 nan 0.000 0.461 96 L N 8.872 130.110 121.223 0.025 0.000 2.265 96 L HA 0.532 4.872 4.340 -0.000 0.000 0.288 96 L C -0.724 176.102 176.870 -0.074 0.000 1.058 96 L CA 0.111 54.962 54.840 0.018 0.000 0.809 96 L CB 0.584 42.691 42.059 0.080 0.000 1.179 96 L HN 0.388 nan 8.230 nan 0.000 0.429 97 I N 4.374 124.903 120.570 -0.069 0.000 2.339 97 I HA 0.373 4.543 4.170 -0.000 0.000 0.290 97 I C 0.168 176.232 176.117 -0.088 0.000 0.994 97 I CA 0.090 61.311 61.300 -0.131 0.000 1.191 97 I CB 1.656 39.608 38.000 -0.080 0.000 1.343 97 I HN 0.594 nan 8.210 nan 0.000 0.458 98 S N 4.049 119.655 115.700 -0.156 0.000 2.489 98 S HA 0.731 5.201 4.470 -0.000 0.000 0.291 98 S C 0.276 174.894 174.600 0.031 0.000 1.151 98 S CA -0.655 57.540 58.200 -0.008 0.000 1.082 98 S CB 0.977 64.219 63.200 0.070 0.000 1.019 98 S HN 0.787 nan 8.310 nan 0.000 0.492 99 G N 2.129 110.992 108.800 0.105 0.000 2.544 99 G HA2 0.548 4.508 3.960 -0.000 0.000 0.242 99 G HA3 0.548 4.508 3.960 -0.000 0.000 0.242 99 G C -0.245 174.693 174.900 0.063 0.000 1.247 99 G CA 0.106 45.277 45.100 0.119 0.000 0.840 99 G HN 1.073 nan 8.290 nan 0.000 0.578 100 A N 2.666 125.416 122.820 -0.116 0.000 2.566 100 A HA 0.897 5.217 4.320 -0.000 0.000 0.292 100 A C -2.832 174.354 177.584 -0.665 0.000 1.112 100 A CA -1.486 50.247 52.037 -0.508 0.000 0.707 100 A CB 1.525 20.365 19.000 -0.266 0.000 1.302 100 A HN 0.517 nan 8.150 nan 0.000 0.409 101 P HA -0.012 nan 4.420 nan 0.000 0.268 101 P C -0.294 176.888 177.300 -0.197 0.000 1.208 101 P CA -0.253 62.466 63.100 -0.635 0.000 0.777 101 P CB 0.350 31.469 31.700 -0.969 0.000 0.875 102 N N 1.341 120.029 118.700 -0.020 0.000 2.292 102 N HA -0.094 4.646 4.740 -0.000 0.000 0.258 102 N C 1.207 176.732 175.510 0.026 0.000 1.261 102 N CA 0.705 53.769 53.050 0.025 0.000 0.845 102 N CB 0.520 39.042 38.487 0.059 0.000 1.064 102 N HN 0.365 nan 8.380 nan 0.000 0.471 103 S N 3.079 118.793 115.700 0.023 0.000 2.442 103 S HA -0.102 4.368 4.470 -0.000 0.000 0.236 103 S C 1.143 175.765 174.600 0.038 0.000 1.007 103 S CA 0.688 58.905 58.200 0.029 0.000 0.965 103 S CB -0.055 63.154 63.200 0.015 0.000 0.773 103 S HN 0.636 nan 8.310 nan 0.000 0.504 104 N N 1.588 120.314 118.700 0.044 0.000 2.512 104 N HA -0.005 4.735 4.740 -0.000 0.000 0.183 104 N C 0.510 176.057 175.510 0.062 0.000 1.073 104 N CA 0.867 53.943 53.050 0.044 0.000 0.911 104 N CB -0.206 38.310 38.487 0.048 0.000 0.964 104 N HN 0.496 nan 8.380 nan 0.000 0.447 105 D N 0.728 121.190 120.400 0.103 0.000 2.289 105 D HA -0.049 4.591 4.640 -0.000 0.000 0.207 105 D C 0.680 177.047 176.300 0.112 0.000 0.966 105 D CA 0.361 54.457 54.000 0.159 0.000 0.868 105 D CB 0.168 41.098 40.800 0.217 0.000 0.943 105 D HN 0.250 nan 8.370 nan 0.000 0.514 106 Q N -0.150 119.704 119.800 0.090 0.000 2.274 106 Q HA 0.279 4.619 4.340 -0.000 0.000 0.280 106 Q C 0.932 176.899 176.000 -0.055 0.000 1.047 106 Q CA 0.854 56.662 55.803 0.008 0.000 0.907 106 Q CB 0.405 29.137 28.738 -0.010 0.000 1.171 106 Q HN 0.295 nan 8.270 nan 0.000 0.381 107 G N 2.513 111.256 108.800 -0.096 0.000 2.168 107 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.257 107 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.257 107 G C 0.549 175.388 174.900 -0.102 0.000 0.997 107 G CA 0.806 45.852 45.100 -0.091 0.000 0.708 107 G HN 0.800 nan 8.290 nan 0.000 0.520 108 T N -3.527 110.940 114.554 -0.144 0.000 3.014 108 T HA 0.448 4.798 4.350 -0.000 0.000 0.250 108 T C 2.337 176.902 174.700 -0.224 0.000 1.060 108 T CA 1.520 63.459 62.100 -0.268 0.000 1.040 108 T CB 0.514 69.026 68.868 -0.594 0.000 0.971 108 T HN 2.105 nan 8.240 nan 0.000 0.497 109 G N 1.205 109.947 108.800 -0.095 0.000 2.157 109 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.248 109 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.248 109 G C -0.084 174.884 174.900 0.114 0.000 0.979 109 G CA 0.078 45.181 45.100 0.005 0.000 0.650 109 G HN 0.791 nan 8.290 nan 0.000 0.529 110 H N -0.214 118.905 119.070 0.082 0.000 2.886 110 H HA 0.393 4.948 4.556 -0.000 0.000 0.329 110 H C 0.844 176.245 175.328 0.123 0.000 1.044 110 H CA -0.215 55.888 56.048 0.091 0.000 1.456 110 H CB 0.729 30.544 29.762 0.088 0.000 1.464 110 H HN 0.262 nan 8.280 nan 0.000 0.573 111 I N 4.946 125.650 120.570 0.222 0.000 2.365 111 I HA 0.109 4.279 4.170 -0.000 0.000 0.291 111 I C -0.218 175.982 176.117 0.138 0.000 1.004 111 I CA -0.068 61.337 61.300 0.176 0.000 1.311 111 I CB 0.726 38.806 38.000 0.132 0.000 1.401 111 I HN 0.274 nan 8.210 nan 0.000 0.491 112 L N 5.511 126.808 121.223 0.123 0.000 2.330 112 L HA 0.441 4.781 4.340 -0.000 0.000 0.271 112 L C 0.262 177.179 176.870 0.077 0.000 1.013 112 L CA -1.076 53.798 54.840 0.057 0.000 0.816 112 L CB 1.335 43.334 42.059 -0.100 0.000 1.287 112 L HN 0.598 nan 8.230 nan 0.000 0.435 113 H N 0.807 119.902 119.070 0.042 0.000 2.771 113 H HA 0.031 4.587 4.556 -0.000 0.000 0.364 113 H C -0.279 175.139 175.328 0.150 0.000 1.133 113 H CA -0.024 56.017 56.048 -0.011 0.000 1.423 113 H CB 0.404 30.022 29.762 -0.239 0.000 1.425 113 H HN 0.708 nan 8.280 nan 0.000 0.606 114 H N -1.155 118.077 119.070 0.271 0.000 2.992 114 H HA -0.179 4.377 4.556 -0.000 0.000 0.266 114 H C 0.212 175.722 175.328 0.304 0.000 1.200 114 H CA 1.130 57.347 56.048 0.281 0.000 1.135 114 H CB -2.308 27.685 29.762 0.384 0.000 1.282 114 H HN 0.977 nan 8.280 nan 0.000 0.351 115 T N -2.706 112.070 114.554 0.371 0.000 2.926 115 T HA 0.610 4.959 4.350 -0.000 0.000 0.289 115 T C 1.733 176.584 174.700 0.251 0.000 1.054 115 T CA -0.532 61.823 62.100 0.425 0.000 1.015 115 T CB 1.716 70.847 68.868 0.437 0.000 1.167 115 T HN 0.228 nan 8.240 nan 0.000 0.526 116 I N -1.515 119.139 120.570 0.139 0.000 3.334 116 I HA 0.420 4.589 4.170 -0.000 0.000 0.282 116 I C 1.499 177.645 176.117 0.047 0.000 1.313 116 I CA 0.441 61.730 61.300 -0.018 0.000 1.396 116 I CB -0.913 36.931 38.000 -0.260 0.000 1.054 116 I HN 1.054 nan 8.210 nan 0.000 0.495 117 G N 1.115 109.988 108.800 0.121 0.000 2.179 117 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 117 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 117 G C 0.175 175.144 174.900 0.114 0.000 0.990 117 G CA -0.137 45.031 45.100 0.112 0.000 0.646 117 G HN 0.478 nan 8.290 nan 0.000 0.517 118 K N -0.104 120.377 120.400 0.134 0.000 2.148 118 K HA 0.557 4.877 4.320 -0.000 0.000 0.239 118 K C 2.017 178.718 176.600 0.169 0.000 1.018 118 K CA 0.104 56.466 56.287 0.126 0.000 0.923 118 K CB 0.645 33.210 32.500 0.108 0.000 1.117 118 K HN 0.184 nan 8.250 nan 0.000 0.477 119 T N -2.556 112.073 114.554 0.126 0.000 2.995 119 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 119 T C 0.516 175.280 174.700 0.107 0.000 1.091 119 T CA 0.717 62.890 62.100 0.122 0.000 1.128 119 T CB -0.175 68.734 68.868 0.067 0.000 0.891 119 T HN 0.665 nan 8.240 nan 0.000 0.492 120 D N 0.386 120.834 120.400 0.080 0.000 2.414 120 D HA 0.229 4.868 4.640 -0.000 0.000 0.241 120 D C -0.715 175.653 176.300 0.112 0.000 1.008 120 D CA -1.238 52.717 54.000 -0.075 0.000 1.001 120 D CB 1.460 42.199 40.800 -0.102 0.000 1.277 120 D HN 0.513 nan 8.370 nan 0.000 0.538 121 Y N -1.576 118.803 120.300 0.132 0.000 2.919 121 Y HA 0.290 4.839 4.550 -0.000 0.000 0.245 121 Y C 0.483 176.366 175.900 -0.027 0.000 0.959 121 Y CA -0.515 57.676 58.100 0.152 0.000 1.118 121 Y CB -0.268 38.279 38.460 0.145 0.000 1.224 121 Y HN 0.214 nan 8.280 nan 0.000 0.658 122 S N -1.203 114.493 115.700 -0.008 0.000 2.631 122 S HA -0.081 4.389 4.470 -0.000 0.000 0.217 122 S C 1.323 175.923 174.600 -0.000 0.000 0.958 122 S CA 0.395 58.586 58.200 -0.015 0.000 0.920 122 S CB -1.099 62.078 63.200 -0.038 0.000 0.776 122 S HN 0.708 nan 8.310 nan 0.000 0.517 123 Y N 1.208 121.568 120.300 0.101 0.000 2.293 123 Y HA -0.021 4.529 4.550 -0.000 0.000 0.291 123 Y C 2.403 178.294 175.900 -0.016 0.000 1.137 123 Y CA 1.081 59.202 58.100 0.036 0.000 1.202 123 Y CB -0.772 37.712 38.460 0.039 0.000 0.990 123 Y HN 0.348 nan 8.280 nan 0.000 0.537 124 Q N 0.639 120.139 119.800 -0.499 0.000 2.050 124 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 124 Q C 2.220 178.044 176.000 -0.292 0.000 0.980 124 Q CA 1.873 57.448 55.803 -0.379 0.000 0.840 124 Q CB -0.240 28.122 28.738 -0.626 0.000 0.898 124 Q HN 0.583 nan 8.270 nan 0.000 0.424 125 L N 1.100 122.204 121.223 -0.199 0.000 2.083 125 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 125 L C 1.997 178.743 176.870 -0.207 0.000 1.083 125 L CA 1.836 56.532 54.840 -0.241 0.000 0.752 125 L CB -0.446 41.606 42.059 -0.011 0.000 0.899 125 L HN 0.195 nan 8.230 nan 0.000 0.433 126 E N -0.529 119.610 120.200 -0.102 0.000 2.110 126 E HA -0.220 4.129 4.350 -0.000 0.000 0.193 126 E C 2.177 178.728 176.600 -0.082 0.000 0.988 126 E CA 1.705 58.068 56.400 -0.061 0.000 0.804 126 E CB -0.292 29.406 29.700 -0.004 0.000 0.745 126 E HN 0.597 nan 8.360 nan 0.000 0.458 127 M N -0.098 119.444 119.600 -0.097 0.000 2.156 127 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 127 M C 2.348 178.552 176.300 -0.161 0.000 1.067 127 M CA 1.360 56.605 55.300 -0.092 0.000 1.131 127 M CB -0.184 32.384 32.600 -0.053 0.000 1.368 127 M HN 0.033 nan 8.290 nan 0.000 0.416 128 A N 0.469 123.108 122.820 -0.302 0.000 1.933 128 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 128 A C 2.131 179.582 177.584 -0.222 0.000 1.175 128 A CA 1.381 53.190 52.037 -0.381 0.000 0.628 128 A CB -0.599 17.814 19.000 -0.978 0.000 0.814 128 A HN 0.409 nan 8.150 nan 0.000 0.444 129 R N -1.096 119.297 120.500 -0.180 0.000 2.105 129 R HA -0.185 4.154 4.340 -0.000 0.000 0.239 129 R C 2.257 178.510 176.300 -0.079 0.000 1.135 129 R CA 1.567 57.616 56.100 -0.085 0.000 0.967 129 R CB -0.266 30.000 30.300 -0.056 0.000 0.861 129 R HN 0.457 nan 8.270 nan 0.000 0.442 130 Q N -0.019 119.723 119.800 -0.096 0.000 2.234 130 Q HA -0.101 4.238 4.340 -0.000 0.000 0.206 130 Q C 1.541 177.438 176.000 -0.171 0.000 0.980 130 Q CA 1.318 57.058 55.803 -0.105 0.000 0.869 130 Q CB 0.226 28.918 28.738 -0.077 0.000 0.912 130 Q HN 0.391 nan 8.270 nan 0.000 0.436 131 V N -3.267 116.551 119.914 -0.161 0.000 3.070 131 V HA 0.460 4.580 4.120 -0.000 0.000 0.345 131 V C -0.048 176.001 176.094 -0.075 0.000 1.403 131 V CA 0.138 62.307 62.300 -0.217 0.000 1.155 131 V CB 0.021 31.756 31.823 -0.147 0.000 1.140 131 V HN 0.135 nan 8.190 nan 0.000 0.505 132 T N -3.003 111.558 114.554 0.012 0.000 2.883 132 T HA 0.386 4.736 4.350 -0.000 0.000 0.296 132 T C 0.737 175.588 174.700 0.251 0.000 1.117 132 T CA 0.110 62.323 62.100 0.188 0.000 1.006 132 T CB 1.354 70.290 68.868 0.114 0.000 1.191 132 T HN 0.531 nan 8.240 nan 0.000 0.508 133 C N -0.124 119.310 119.300 0.223 0.000 2.673 133 C HA 0.776 5.236 4.460 -0.000 0.000 0.264 133 C C 0.937 175.981 174.990 0.089 0.000 1.304 133 C CA 0.109 59.219 59.018 0.154 0.000 1.727 133 C CB -1.580 26.189 27.740 0.049 0.000 1.932 133 C HN 1.187 nan 8.230 nan 0.000 0.563 134 A N 0.093 122.964 122.820 0.084 0.000 2.566 134 A HA 0.836 5.155 4.320 -0.000 0.000 0.297 134 A C -0.983 176.689 177.584 0.147 0.000 1.059 134 A CA 0.439 52.532 52.037 0.094 0.000 0.691 134 A CB 0.737 19.699 19.000 -0.062 0.000 1.282 134 A HN 1.683 nan 8.150 nan 0.000 0.401 135 A N 1.929 124.867 122.820 0.197 0.000 2.466 135 A HA 0.732 5.051 4.320 -0.000 0.000 0.284 135 A C -1.228 176.513 177.584 0.263 0.000 1.049 135 A CA -0.377 51.825 52.037 0.276 0.000 0.760 135 A CB 1.136 20.240 19.000 0.172 0.000 1.274 135 A HN 0.641 nan 8.150 nan 0.000 0.412 136 E N 0.560 120.924 120.200 0.273 0.000 2.343 136 E HA 0.578 4.928 4.350 -0.000 0.000 0.270 136 E C -1.124 175.567 176.600 0.151 0.000 0.895 136 E CA -0.562 55.944 56.400 0.177 0.000 0.767 136 E CB 2.267 32.047 29.700 0.134 0.000 1.248 136 E HN 0.434 nan 8.360 nan 0.000 0.440 137 S N 1.995 117.766 115.700 0.117 0.000 2.530 137 S HA 0.514 4.984 4.470 -0.000 0.000 0.322 137 S C -0.392 174.231 174.600 0.038 0.000 1.085 137 S CA -0.578 57.677 58.200 0.091 0.000 1.096 137 S CB 0.045 63.315 63.200 0.117 0.000 0.988 137 S HN 0.344 nan 8.310 nan 0.000 0.466 138 I N 4.193 124.768 120.570 0.008 0.000 2.325 138 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 138 I C 1.062 177.176 176.117 -0.004 0.000 1.019 138 I CA -0.088 61.209 61.300 -0.006 0.000 1.302 138 I CB 1.639 39.624 38.000 -0.025 0.000 1.401 138 I HN 0.590 nan 8.210 nan 0.000 0.485 139 T N 3.731 118.285 114.554 0.000 0.000 3.087 139 T HA 0.099 4.449 4.350 -0.000 0.000 0.283 139 T C -0.455 174.247 174.700 0.003 0.000 0.956 139 T CA -0.191 61.911 62.100 0.002 0.000 0.894 139 T CB -0.104 68.768 68.868 0.006 0.000 1.160 139 T HN 0.833 nan 8.240 nan 0.000 0.532 140 D N -0.678 119.725 120.400 0.005 0.000 2.655 140 D HA 0.422 5.062 4.640 -0.000 0.000 0.229 140 D C 0.731 177.038 176.300 0.010 0.000 1.229 140 D CA -0.462 53.546 54.000 0.013 0.000 0.807 140 D CB 1.486 42.301 40.800 0.025 0.000 1.514 140 D HN -0.046 nan 8.370 nan 0.000 0.444 141 A N 0.648 123.479 122.820 0.018 0.000 1.968 141 A HA -0.201 4.118 4.320 -0.000 0.000 0.217 141 A C 1.949 179.529 177.584 -0.006 0.000 1.169 141 A CA 1.314 53.350 52.037 -0.002 0.000 0.638 141 A CB -1.015 17.991 19.000 0.009 0.000 0.812 141 A HN 0.790 nan 8.150 nan 0.000 0.446 142 H N 0.913 119.954 119.070 -0.049 0.000 2.357 142 H HA -0.101 4.455 4.556 -0.000 0.000 0.301 142 H C 2.130 177.419 175.328 -0.065 0.000 1.082 142 H CA 2.016 58.034 56.048 -0.050 0.000 1.342 142 H CB 0.069 29.811 29.762 -0.032 0.000 1.389 142 H HN 0.570 nan 8.280 nan 0.000 0.511 143 S N -0.090 115.618 115.700 0.014 0.000 2.593 143 S HA 0.213 4.683 4.470 -0.000 0.000 0.217 143 S C 2.188 176.728 174.600 -0.100 0.000 0.966 143 S CA 0.331 58.506 58.200 -0.042 0.000 0.914 143 S CB 0.079 63.300 63.200 0.035 0.000 0.776 143 S HN 0.504 nan 8.310 nan 0.000 0.523 144 A N 3.314 126.055 122.820 -0.131 0.000 1.883 144 A HA 0.090 4.410 4.320 -0.000 0.000 0.217 144 A C 0.066 177.494 177.584 -0.261 0.000 1.186 144 A CA 1.444 53.384 52.037 -0.162 0.000 0.624 144 A CB -1.837 17.064 19.000 -0.165 0.000 0.822 144 A HN 0.519 nan 8.150 nan 0.000 0.444 145 P HA -0.168 nan 4.420 nan 0.000 0.215 145 P C 1.786 179.003 177.300 -0.139 0.000 1.157 145 P CA 2.126 64.886 63.100 -0.566 0.000 0.874 145 P CB -0.165 31.211 31.700 -0.541 0.000 0.790 146 A N -0.163 122.593 122.820 -0.106 0.000 1.908 146 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 146 A C 2.118 179.726 177.584 0.039 0.000 1.181 146 A CA 1.855 53.881 52.037 -0.018 0.000 0.627 146 A CB -1.058 17.916 19.000 -0.043 0.000 0.818 146 A HN 0.146 nan 8.150 nan 0.000 0.445 147 K N -0.604 119.805 120.400 0.015 0.000 2.025 147 K HA -0.016 4.304 4.320 -0.000 0.000 0.207 147 K C 1.881 178.542 176.600 0.103 0.000 1.049 147 K CA 1.425 57.752 56.287 0.067 0.000 0.933 147 K CB -0.373 32.144 32.500 0.029 0.000 0.714 147 K HN 0.516 nan 8.250 nan 0.000 0.438 148 I N 1.728 122.339 120.570 0.067 0.000 2.163 148 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 148 I C 1.664 177.859 176.117 0.130 0.000 1.085 148 I CA 1.374 62.738 61.300 0.106 0.000 1.347 148 I CB -0.313 37.792 38.000 0.176 0.000 1.044 148 I HN 0.128 nan 8.210 nan 0.000 0.408 149 D N -0.572 119.926 120.400 0.163 0.000 2.144 149 D HA -0.230 4.410 4.640 -0.000 0.000 0.199 149 D C 1.979 178.345 176.300 0.110 0.000 0.984 149 D CA 1.349 55.432 54.000 0.138 0.000 0.834 149 D CB -0.408 40.483 40.800 0.150 0.000 0.955 149 D HN 0.429 nan 8.370 nan 0.000 0.465 150 H N 0.610 119.705 119.070 0.042 0.000 2.321 150 H HA -0.108 4.447 4.556 -0.000 0.000 0.300 150 H C 2.018 177.366 175.328 0.033 0.000 1.087 150 H CA 2.496 58.564 56.048 0.032 0.000 1.319 150 H CB -0.309 29.469 29.762 0.028 0.000 1.379 150 H HN 0.059 nan 8.280 nan 0.000 0.501 151 V N -0.750 119.114 119.914 -0.083 0.000 2.358 151 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 151 V C 2.402 178.432 176.094 -0.106 0.000 1.047 151 V CA 2.002 64.222 62.300 -0.133 0.000 1.035 151 V CB -0.862 30.959 31.823 -0.002 0.000 0.658 151 V HN 0.472 nan 8.190 nan 0.000 0.452 152 I N -0.037 120.507 120.570 -0.044 0.000 2.179 152 I HA -0.180 3.989 4.170 -0.000 0.000 0.242 152 I C 3.150 179.238 176.117 -0.048 0.000 1.088 152 I CA 2.062 63.344 61.300 -0.030 0.000 1.357 152 I CB -0.451 37.548 38.000 -0.002 0.000 1.051 152 I HN 0.215 nan 8.210 nan 0.000 0.409 153 R N 0.028 120.497 120.500 -0.051 0.000 2.096 153 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 153 R C 2.322 178.575 176.300 -0.078 0.000 1.127 153 R CA 1.911 57.984 56.100 -0.046 0.000 0.968 153 R CB -0.538 29.753 30.300 -0.015 0.000 0.861 153 R HN 0.388 nan 8.270 nan 0.000 0.440 154 T N 0.912 115.375 114.554 -0.153 0.000 2.737 154 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 154 T C 1.968 176.602 174.700 -0.109 0.000 1.038 154 T CA 1.308 63.312 62.100 -0.161 0.000 1.144 154 T CB -0.252 68.432 68.868 -0.306 0.000 0.866 154 T HN 0.344 nan 8.240 nan 0.000 0.434 155 A N 1.560 124.320 122.820 -0.100 0.000 1.873 155 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 155 A C 2.331 179.876 177.584 -0.065 0.000 1.193 155 A CA 1.457 53.450 52.037 -0.073 0.000 0.629 155 A CB -0.992 17.979 19.000 -0.048 0.000 0.826 155 A HN 0.478 nan 8.150 nan 0.000 0.447 156 L N -1.332 119.860 121.223 -0.051 0.000 2.056 156 L HA -0.155 4.184 4.340 -0.000 0.000 0.207 156 L C 2.815 179.658 176.870 -0.046 0.000 1.078 156 L CA 1.733 56.548 54.840 -0.040 0.000 0.749 156 L CB -0.495 41.548 42.059 -0.027 0.000 0.901 156 L HN 0.508 nan 8.230 nan 0.000 0.433 157 R N 0.541 121.012 120.500 -0.048 0.000 2.075 157 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 157 R C 1.874 178.140 176.300 -0.056 0.000 1.126 157 R CA 1.488 57.562 56.100 -0.043 0.000 0.963 157 R CB 0.013 30.292 30.300 -0.036 0.000 0.858 157 R HN 0.370 nan 8.270 nan 0.000 0.435 158 E N -0.106 120.050 120.200 -0.073 0.000 2.474 158 E HA 0.016 4.366 4.350 -0.000 0.000 0.194 158 E C -0.409 176.115 176.600 -0.127 0.000 1.041 158 E CA -0.147 56.196 56.400 -0.095 0.000 0.874 158 E CB 0.497 30.135 29.700 -0.103 0.000 0.914 158 E HN 0.130 nan 8.360 nan 0.000 0.498 159 R N 1.308 121.742 120.500 -0.110 0.000 3.264 159 R HA -0.143 4.197 4.340 -0.000 0.000 0.251 159 R C -0.963 175.226 176.300 -0.184 0.000 0.971 159 R CA 0.680 56.710 56.100 -0.117 0.000 0.658 159 R CB -1.252 28.986 30.300 -0.102 0.000 1.095 159 R HN -0.043 nan 8.270 nan 0.000 0.443 160 K N -0.409 119.873 120.400 -0.195 0.000 2.477 160 K HA 0.527 4.846 4.320 -0.000 0.000 0.255 160 K C -2.636 173.884 176.600 -0.133 0.000 0.952 160 K CA -2.194 53.919 56.287 -0.290 0.000 0.826 160 K CB 2.173 34.403 32.500 -0.451 0.000 1.331 160 K HN -0.147 nan 8.250 nan 0.000 0.437 161 P HA 0.342 nan 4.420 nan 0.000 0.276 161 P C -1.138 176.189 177.300 0.044 0.000 1.252 161 P CA -0.394 62.708 63.100 0.003 0.000 0.802 161 P CB 1.038 32.752 31.700 0.023 0.000 1.035 162 A N 1.188 124.039 122.820 0.051 0.000 2.527 162 A HA 0.666 4.986 4.320 -0.000 0.000 0.293 162 A C -1.914 175.752 177.584 0.137 0.000 1.117 162 A CA -0.628 51.458 52.037 0.082 0.000 0.723 162 A CB 1.318 20.335 19.000 0.027 0.000 1.313 162 A HN 0.590 nan 8.150 nan 0.000 0.411 163 Y N 0.356 120.665 120.300 0.016 0.000 2.446 163 Y HA 0.763 5.313 4.550 -0.000 0.000 0.345 163 Y C -1.480 174.437 175.900 0.029 0.000 0.984 163 Y CA -0.950 57.160 58.100 0.017 0.000 1.058 163 Y CB 1.506 39.974 38.460 0.013 0.000 1.220 163 Y HN 0.665 nan 8.280 nan 0.000 0.455 164 L N 5.538 126.353 121.223 -0.681 0.000 2.410 164 L HA 0.384 4.723 4.340 -0.000 0.000 0.270 164 L C -1.457 174.961 176.870 -0.753 0.000 0.983 164 L CA -0.867 53.644 54.840 -0.549 0.000 0.822 164 L CB 1.965 43.887 42.059 -0.229 0.000 1.285 164 L HN 0.713 nan 8.230 nan 0.000 0.409 165 D N 4.014 124.156 120.400 -0.431 0.000 2.193 165 D HA 0.555 5.195 4.640 -0.000 0.000 0.244 165 D C -0.577 175.668 176.300 -0.092 0.000 1.064 165 D CA 0.058 53.950 54.000 -0.180 0.000 0.845 165 D CB 2.215 43.030 40.800 0.025 0.000 1.148 165 D HN 0.232 nan 8.370 nan 0.000 0.464 166 I N 1.728 122.260 120.570 -0.064 0.000 2.439 166 I HA 0.341 4.511 4.170 -0.000 0.000 0.285 166 I C 0.260 176.358 176.117 -0.031 0.000 1.021 166 I CA -1.048 60.228 61.300 -0.039 0.000 1.091 166 I CB 1.873 39.853 38.000 -0.034 0.000 1.242 166 I HN 0.289 nan 8.210 nan 0.000 0.439 167 A N 4.506 127.306 122.820 -0.033 0.000 2.567 167 A HA 0.021 4.341 4.320 -0.000 0.000 0.240 167 A C 1.514 179.095 177.584 -0.004 0.000 1.053 167 A CA 0.046 52.059 52.037 -0.039 0.000 0.755 167 A CB -0.012 18.973 19.000 -0.024 0.000 0.978 167 A HN 1.138 nan 8.150 nan 0.000 0.507 168 C N 2.367 121.682 119.300 0.024 0.000 2.413 168 C HA -0.148 4.312 4.460 -0.000 0.000 0.277 168 C C 2.075 177.089 174.990 0.041 0.000 1.265 168 C CA 1.083 60.140 59.018 0.066 0.000 1.752 168 C CB -1.382 26.444 27.740 0.144 0.000 1.998 168 C HN 0.915 nan 8.230 nan 0.000 0.489 169 N N 1.640 120.359 118.700 0.032 0.000 2.512 169 N HA -0.016 4.724 4.740 -0.000 0.000 0.183 169 N C 1.308 176.826 175.510 0.013 0.000 1.073 169 N CA 0.998 54.061 53.050 0.023 0.000 0.911 169 N CB -0.549 37.952 38.487 0.024 0.000 0.964 169 N HN 0.619 nan 8.380 nan 0.000 0.447 170 I N 0.363 120.938 120.570 0.008 0.000 3.645 170 I HA 0.135 4.305 4.170 -0.000 0.000 0.300 170 I C 2.285 178.397 176.117 -0.008 0.000 1.260 170 I CA 0.118 61.417 61.300 -0.001 0.000 1.365 170 I CB 0.083 38.081 38.000 -0.004 0.000 1.077 170 I HN 0.075 nan 8.210 nan 0.000 0.439 171 A N -0.086 122.731 122.820 -0.005 0.000 1.986 171 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 171 A C 2.364 179.935 177.584 -0.021 0.000 1.171 171 A CA 2.259 54.288 52.037 -0.013 0.000 0.640 171 A CB -0.590 18.409 19.000 -0.003 0.000 0.811 171 A HN 0.366 nan 8.150 nan 0.000 0.451 172 S N -0.255 115.437 115.700 -0.012 0.000 2.527 172 S HA 0.041 4.511 4.470 -0.000 0.000 0.222 172 S C 0.548 175.142 174.600 -0.010 0.000 0.985 172 S CA -0.076 58.116 58.200 -0.013 0.000 0.921 172 S CB -0.075 63.123 63.200 -0.003 0.000 0.772 172 S HN 0.538 nan 8.310 nan 0.000 0.529 173 E N 2.402 122.599 120.200 -0.006 0.000 2.373 173 E HA 0.184 4.534 4.350 -0.000 0.000 0.267 173 E C -2.540 174.067 176.600 0.012 0.000 1.032 173 E CA -2.285 54.118 56.400 0.004 0.000 0.889 173 E CB 0.073 29.776 29.700 0.005 0.000 0.984 173 E HN 0.100 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 0.065 0.000 1.200 174 P CA 0.030 63.164 63.100 0.056 0.000 0.772 174 P CB 0.550 32.283 31.700 0.055 0.000 0.855 175 C N 2.898 122.271 119.300 0.123 0.000 3.082 175 C HA 0.482 4.941 4.460 -0.000 0.000 0.324 175 C C -0.145 174.967 174.990 0.205 0.000 1.210 175 C CA -0.593 58.497 59.018 0.119 0.000 1.366 175 C CB 0.820 28.620 27.740 0.100 0.000 1.756 175 C HN 0.610 nan 8.230 nan 0.000 0.485 176 V N 3.602 123.579 119.914 0.105 0.000 3.096 176 V HA 0.479 4.599 4.120 -0.000 0.000 0.306 176 V C 0.276 176.492 176.094 0.203 0.000 1.088 176 V CA -0.055 62.301 62.300 0.095 0.000 1.129 176 V CB 0.144 31.988 31.823 0.035 0.000 1.014 176 V HN 0.952 nan 8.190 nan 0.000 0.486 177 R N 2.713 123.194 120.500 -0.033 0.000 2.500 177 R HA 0.509 4.849 4.340 -0.000 0.000 0.277 177 R C -2.359 173.939 176.300 -0.002 0.000 1.026 177 R CA -1.618 54.344 56.100 -0.230 0.000 1.058 177 R CB 0.790 30.745 30.300 -0.574 0.000 1.078 177 R HN 0.705 nan 8.270 nan 0.000 0.509 178 P HA 0.113 nan 4.420 nan 0.000 0.279 178 P C -0.320 176.904 177.300 -0.127 0.000 1.239 178 P CA -0.350 62.626 63.100 -0.207 0.000 0.789 178 P CB 1.080 32.440 31.700 -0.566 0.000 0.933 179 G N 2.996 111.755 108.800 -0.068 0.000 2.562 179 G HA2 0.445 4.405 3.960 -0.000 0.000 0.275 179 G HA3 0.445 4.405 3.960 -0.000 0.000 0.275 179 G C -2.311 172.554 174.900 -0.060 0.000 1.196 179 G CA -1.183 43.885 45.100 -0.054 0.000 0.908 179 G HN 0.419 nan 8.290 nan 0.000 0.524 180 P HA 0.288 nan 4.420 nan 0.000 0.271 180 P C -0.285 176.996 177.300 -0.031 0.000 1.218 180 P CA -0.068 63.007 63.100 -0.041 0.000 0.780 180 P CB 1.342 33.022 31.700 -0.033 0.000 0.901 181 V N -1.525 118.371 119.914 -0.030 0.000 2.962 181 V HA 0.431 4.550 4.120 -0.000 0.000 0.313 181 V C 1.255 177.339 176.094 -0.017 0.000 1.099 181 V CA -0.549 61.738 62.300 -0.021 0.000 0.971 181 V CB 1.242 33.052 31.823 -0.023 0.000 1.028 181 V HN 0.491 nan 8.190 nan 0.000 0.430 182 S N 1.202 116.895 115.700 -0.011 0.000 2.345 182 S HA 0.068 4.538 4.470 -0.000 0.000 0.220 182 S C 0.925 175.519 174.600 -0.010 0.000 1.031 182 S CA 1.633 59.828 58.200 -0.009 0.000 0.996 182 S CB -0.131 63.067 63.200 -0.004 0.000 0.882 182 S HN 1.502 nan 8.310 nan 0.000 0.445 183 S N -1.210 114.484 115.700 -0.009 0.000 2.552 183 S HA 0.434 4.904 4.470 -0.000 0.000 0.272 183 S C -0.595 173.999 174.600 -0.009 0.000 1.150 183 S CA -0.685 57.509 58.200 -0.009 0.000 0.849 183 S CB 0.721 63.917 63.200 -0.007 0.000 1.113 183 S HN 0.067 nan 8.310 nan 0.000 0.458 184 L N 2.288 123.504 121.223 -0.011 0.000 2.554 184 L HA 0.461 4.801 4.340 -0.000 0.000 0.226 184 L C 0.348 177.213 176.870 -0.009 0.000 1.137 184 L CA 0.735 55.569 54.840 -0.009 0.000 0.863 184 L CB -0.622 41.429 42.059 -0.012 0.000 0.985 184 L HN 0.686 nan 8.230 nan 0.000 0.451 185 L N 0.453 121.671 121.223 -0.009 0.000 2.265 185 L HA 0.456 4.796 4.340 -0.000 0.000 0.288 185 L C -0.010 176.857 176.870 -0.006 0.000 1.058 185 L CA 0.009 54.843 54.840 -0.010 0.000 0.809 185 L CB 0.959 43.011 42.059 -0.012 0.000 1.179 185 L HN 0.183 nan 8.230 nan 0.000 0.429 186 S N 3.742 119.439 115.700 -0.005 0.000 2.775 186 S HA 0.542 5.012 4.470 -0.000 0.000 0.277 186 S C -0.707 173.893 174.600 0.001 0.000 1.156 186 S CA -0.953 57.247 58.200 0.001 0.000 1.081 186 S CB 0.838 64.041 63.200 0.006 0.000 1.054 186 S HN 0.677 nan 8.310 nan 0.000 0.482 187 E N 3.234 123.435 120.200 0.002 0.000 2.371 187 E HA 0.338 4.687 4.350 -0.000 0.000 0.257 187 E C -2.193 174.412 176.600 0.008 0.000 1.134 187 E CA -1.766 54.635 56.400 0.001 0.000 0.919 187 E CB -0.187 29.516 29.700 0.004 0.000 1.025 187 E HN 0.496 nan 8.360 nan 0.000 0.438 188 P HA -0.011 nan 4.420 nan 0.000 0.271 188 P C -0.386 176.925 177.300 0.019 0.000 1.218 188 P CA -0.070 63.037 63.100 0.011 0.000 0.780 188 P CB 0.381 32.083 31.700 0.004 0.000 0.901 189 E N 2.840 123.055 120.200 0.026 0.000 2.452 189 E HA 0.035 4.384 4.350 -0.000 0.000 0.261 189 E C 0.178 176.794 176.600 0.027 0.000 0.987 189 E CA -0.588 55.833 56.400 0.036 0.000 0.926 189 E CB 0.393 30.122 29.700 0.049 0.000 0.934 189 E HN 0.339 nan 8.360 nan 0.000 0.452 190 I N 2.720 123.292 120.570 0.004 0.000 2.529 190 I HA 0.017 4.186 4.170 -0.000 0.000 0.284 190 I C -0.280 175.777 176.117 -0.100 0.000 1.082 190 I CA 0.004 61.270 61.300 -0.055 0.000 1.406 190 I CB 0.974 38.899 38.000 -0.125 0.000 1.405 190 I HN 0.732 nan 8.210 nan 0.000 0.548 191 D N 6.640 127.037 120.400 -0.005 0.000 2.365 191 D HA 0.067 4.707 4.640 -0.000 0.000 0.237 191 D C 0.763 177.073 176.300 0.016 0.000 1.190 191 D CA -0.003 54.028 54.000 0.052 0.000 0.867 191 D CB 0.398 41.267 40.800 0.115 0.000 1.050 191 D HN 0.582 nan 8.370 nan 0.000 0.491 192 H N 1.313 120.434 119.070 0.085 0.000 2.462 192 H HA -0.040 4.515 4.556 -0.000 0.000 0.292 192 H C 1.763 177.119 175.328 0.046 0.000 1.049 192 H CA 1.396 57.473 56.048 0.048 0.000 1.334 192 H CB 0.539 30.318 29.762 0.027 0.000 1.404 192 H HN 0.341 nan 8.280 nan 0.000 0.544 193 T N -0.949 113.706 114.554 0.168 0.000 2.708 193 T HA -0.215 4.135 4.350 -0.000 0.000 0.266 193 T C 2.263 177.048 174.700 0.141 0.000 1.037 193 T CA 1.583 63.761 62.100 0.130 0.000 1.146 193 T CB -0.360 68.577 68.868 0.114 0.000 0.865 193 T HN 0.278 nan 8.240 nan 0.000 0.435 194 S N 0.441 116.251 115.700 0.185 0.000 2.368 194 S HA 0.074 4.544 4.470 -0.000 0.000 0.224 194 S C 1.975 176.704 174.600 0.215 0.000 1.029 194 S CA 0.487 58.863 58.200 0.294 0.000 0.988 194 S CB -0.493 62.932 63.200 0.375 0.000 0.838 194 S HN 0.379 nan 8.310 nan 0.000 0.462 195 L N 1.373 122.598 121.223 0.005 0.000 1.989 195 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 195 L C 2.661 179.388 176.870 -0.239 0.000 1.071 195 L CA 1.938 56.509 54.840 -0.448 0.000 0.749 195 L CB -0.555 41.263 42.059 -0.402 0.000 0.890 195 L HN 0.382 nan 8.230 nan 0.000 0.431 196 K N -0.309 120.042 120.400 -0.082 0.000 2.063 196 K HA -0.211 4.108 4.320 -0.000 0.000 0.208 196 K C 1.925 178.483 176.600 -0.071 0.000 1.048 196 K CA 1.508 57.763 56.287 -0.054 0.000 0.928 196 K CB -0.066 32.438 32.500 0.007 0.000 0.713 196 K HN 0.410 nan 8.250 nan 0.000 0.442 197 A N 0.871 123.669 122.820 -0.037 0.000 1.930 197 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 197 A C 2.273 179.620 177.584 -0.395 0.000 1.175 197 A CA 1.675 53.680 52.037 -0.052 0.000 0.627 197 A CB -0.575 18.533 19.000 0.180 0.000 0.815 197 A HN 0.471 nan 8.150 nan 0.000 0.443 198 A N -0.520 121.959 122.820 -0.568 0.000 1.898 198 A HA 0.028 4.348 4.320 -0.000 0.000 0.216 198 A C 2.219 179.694 177.584 -0.183 0.000 1.181 198 A CA 1.750 53.337 52.037 -0.750 0.000 0.620 198 A CB -0.854 17.957 19.000 -0.314 0.000 0.819 198 A HN 0.357 nan 8.150 nan 0.000 0.442 199 V N 0.574 120.432 119.914 -0.094 0.000 2.307 199 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 199 V C 2.189 178.223 176.094 -0.099 0.000 1.045 199 V CA 2.250 64.490 62.300 -0.101 0.000 1.024 199 V CB -0.871 30.835 31.823 -0.194 0.000 0.651 199 V HN 0.469 nan 8.190 nan 0.000 0.449 200 D N 0.632 120.972 120.400 -0.101 0.000 2.104 200 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 200 D C 2.203 178.474 176.300 -0.048 0.000 0.994 200 D CA 1.788 55.749 54.000 -0.065 0.000 0.830 200 D CB -0.388 40.387 40.800 -0.043 0.000 0.959 200 D HN 0.437 nan 8.370 nan 0.000 0.452 201 A N 0.041 122.814 122.820 -0.078 0.000 1.930 201 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 201 A C 2.343 179.931 177.584 0.006 0.000 1.175 201 A CA 2.013 54.035 52.037 -0.025 0.000 0.627 201 A CB -0.788 18.193 19.000 -0.031 0.000 0.815 201 A HN 0.233 nan 8.150 nan 0.000 0.443 202 T N -0.476 114.083 114.554 0.008 0.000 2.777 202 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 202 T C 1.868 176.577 174.700 0.015 0.000 1.040 202 T CA 1.432 63.566 62.100 0.057 0.000 1.141 202 T CB -0.372 68.588 68.868 0.152 0.000 0.868 202 T HN 0.134 nan 8.240 nan 0.000 0.444 203 V N 1.762 121.665 119.914 -0.019 0.000 2.343 203 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 203 V C 2.909 178.997 176.094 -0.011 0.000 1.051 203 V CA 1.700 63.983 62.300 -0.028 0.000 1.036 203 V CB -1.209 30.585 31.823 -0.048 0.000 0.654 203 V HN 0.531 nan 8.190 nan 0.000 0.451 204 A N -0.183 122.634 122.820 -0.004 0.000 1.883 204 A HA -0.236 4.083 4.320 -0.000 0.000 0.217 204 A C 2.175 179.766 177.584 0.012 0.000 1.186 204 A CA 2.288 54.328 52.037 0.005 0.000 0.624 204 A CB -0.641 18.367 19.000 0.012 0.000 0.822 204 A HN 0.459 nan 8.150 nan 0.000 0.444 205 L N -0.380 120.855 121.223 0.020 0.000 2.046 205 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 205 L C 2.295 179.175 176.870 0.017 0.000 1.077 205 L CA 1.642 56.497 54.840 0.024 0.000 0.747 205 L CB -0.506 41.575 42.059 0.038 0.000 0.896 205 L HN 0.403 nan 8.230 nan 0.000 0.432 206 L N -0.747 120.484 121.223 0.014 0.000 2.046 206 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 206 L C 2.531 179.403 176.870 0.002 0.000 1.077 206 L CA 1.475 56.319 54.840 0.007 0.000 0.747 206 L CB -0.514 41.546 42.059 0.001 0.000 0.896 206 L HN 0.341 nan 8.230 nan 0.000 0.432 207 E N 0.430 120.630 120.200 0.000 0.000 2.085 207 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 207 E C 1.787 178.389 176.600 0.002 0.000 0.994 207 E CA 1.614 58.013 56.400 -0.001 0.000 0.801 207 E CB 0.071 29.769 29.700 -0.003 0.000 0.743 207 E HN 0.443 nan 8.360 nan 0.000 0.453 208 K N -0.079 120.324 120.400 0.004 0.000 2.458 208 K HA 0.164 4.484 4.320 -0.000 0.000 0.194 208 K C 0.049 176.652 176.600 0.005 0.000 1.024 208 K CA 0.012 56.302 56.287 0.005 0.000 1.108 208 K CB 0.754 33.258 32.500 0.007 0.000 0.846 208 K HN -0.206 nan 8.250 nan 0.000 0.518 209 S N 0.305 116.008 115.700 0.005 0.000 2.610 209 S HA 0.472 4.942 4.470 -0.000 0.000 0.273 209 S C 0.839 175.440 174.600 0.002 0.000 1.274 209 S CA -0.410 57.792 58.200 0.004 0.000 1.023 209 S CB 1.624 64.827 63.200 0.004 0.000 0.962 209 S HN 0.402 nan 8.310 nan 0.000 0.523 210 A N 1.870 124.690 122.820 0.001 0.000 1.901 210 A HA 0.254 4.574 4.320 -0.000 0.000 0.210 210 A C 0.991 178.574 177.584 -0.000 0.000 1.208 210 A CA 0.659 52.697 52.037 0.001 0.000 0.644 210 A CB -0.137 18.863 19.000 0.000 0.000 0.863 210 A HN 0.989 nan 8.150 nan 0.000 0.454 211 S N -0.212 115.487 115.700 -0.003 0.000 2.381 211 S HA 0.558 5.028 4.470 -0.000 0.000 0.193 211 S C -3.383 171.211 174.600 -0.009 0.000 1.287 211 S CA -1.376 56.821 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 0.035 nan 8.310 nan 0.000 0.444 212 P HA 0.457 nan 4.420 nan 0.000 0.275 212 P C -0.720 176.567 177.300 -0.021 0.000 1.227 212 P CA -0.459 62.635 63.100 -0.010 0.000 0.781 212 P CB 1.124 32.822 31.700 -0.003 0.000 0.906 213 V N 3.569 123.464 119.914 -0.031 0.000 2.769 213 V HA 0.448 4.568 4.120 -0.000 0.000 0.312 213 V C 0.136 176.199 176.094 -0.052 0.000 1.061 213 V CA -0.693 61.576 62.300 -0.052 0.000 0.931 213 V CB 1.935 33.714 31.823 -0.074 0.000 1.010 213 V HN 0.483 nan 8.190 nan 0.000 0.433 214 M N 4.171 123.726 119.600 -0.076 0.000 2.238 214 M HA 0.553 5.033 4.480 -0.000 0.000 0.350 214 M C -1.208 175.035 176.300 -0.095 0.000 1.138 214 M CA -0.558 54.694 55.300 -0.080 0.000 1.040 214 M CB 1.599 34.128 32.600 -0.119 0.000 1.639 214 M HN 0.492 nan 8.290 nan 0.000 0.451 215 L N 5.548 126.742 121.223 -0.048 0.000 2.349 215 L HA 0.611 4.951 4.340 -0.000 0.000 0.278 215 L C -1.649 175.223 176.870 0.003 0.000 0.996 215 L CA -0.226 54.600 54.840 -0.022 0.000 0.825 215 L CB 1.150 43.215 42.059 0.011 0.000 1.243 215 L HN 0.625 nan 8.230 nan 0.000 0.412 216 L N 5.059 126.278 121.223 -0.007 0.000 2.295 216 L HA 0.790 5.130 4.340 -0.000 0.000 0.285 216 L C 0.679 177.559 176.870 0.016 0.000 1.035 216 L CA -0.536 54.315 54.840 0.018 0.000 0.806 216 L CB 1.471 43.553 42.059 0.039 0.000 1.214 216 L HN 0.766 nan 8.230 nan 0.000 0.426 217 G N -0.033 108.776 108.800 0.015 0.000 2.667 217 G HA2 0.357 4.316 3.960 -0.000 0.000 0.310 217 G HA3 0.357 4.316 3.960 -0.000 0.000 0.310 217 G C 0.596 175.539 174.900 0.071 0.000 1.259 217 G CA -0.114 44.959 45.100 -0.045 0.000 1.019 217 G HN 0.639 nan 8.290 nan 0.000 0.496 218 S N -1.280 114.419 115.700 -0.002 0.000 2.607 218 S HA 0.040 4.510 4.470 -0.000 0.000 0.224 218 S C 1.326 176.046 174.600 0.200 0.000 0.969 218 S CA 0.429 58.711 58.200 0.138 0.000 0.927 218 S CB 0.016 63.173 63.200 -0.071 0.000 0.772 218 S HN 0.505 nan 8.310 nan 0.000 0.533 219 K N 0.194 120.633 120.400 0.066 0.000 2.404 219 K HA 0.292 4.612 4.320 -0.000 0.000 0.194 219 K C 1.234 177.806 176.600 -0.046 0.000 1.023 219 K CA -0.150 56.139 56.287 0.003 0.000 1.094 219 K CB -0.072 32.408 32.500 -0.032 0.000 0.841 219 K HN 0.220 nan 8.250 nan 0.000 0.523 220 L N 1.457 122.656 121.223 -0.040 0.000 2.083 220 L HA -0.142 4.197 4.340 -0.000 0.000 0.209 220 L C 2.328 179.008 176.870 -0.317 0.000 1.083 220 L CA 1.725 56.484 54.840 -0.136 0.000 0.752 220 L CB -0.235 41.795 42.059 -0.048 0.000 0.899 220 L HN 0.076 nan 8.230 nan 0.000 0.433 221 R N -1.037 119.100 120.500 -0.605 0.000 2.073 221 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 221 R C 2.211 178.355 176.300 -0.261 0.000 1.120 221 R CA 1.139 56.904 56.100 -0.557 0.000 0.967 221 R CB -0.336 29.479 30.300 -0.808 0.000 0.862 221 R HN 0.407 nan 8.270 nan 0.000 0.436 222 A N 0.783 123.493 122.820 -0.184 0.000 1.940 222 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 222 A C 2.188 179.715 177.584 -0.094 0.000 1.176 222 A CA 1.697 53.668 52.037 -0.110 0.000 0.631 222 A CB -0.688 18.262 19.000 -0.084 0.000 0.814 222 A HN 0.513 nan 8.150 nan 0.000 0.446 223 A N -0.964 121.800 122.820 -0.094 0.000 2.235 223 A HA 0.165 4.485 4.320 -0.000 0.000 0.208 223 A C 0.971 178.521 177.584 -0.056 0.000 1.172 223 A CA 0.881 52.882 52.037 -0.060 0.000 0.786 223 A CB -0.709 18.268 19.000 -0.038 0.000 0.804 223 A HN 0.829 nan 8.150 nan 0.000 0.479 224 N N -2.207 116.440 118.700 -0.089 0.000 2.714 224 N HA -0.219 4.521 4.740 -0.000 0.000 0.253 224 N C 0.210 175.683 175.510 -0.061 0.000 1.024 224 N CA 1.034 54.035 53.050 -0.081 0.000 0.726 224 N CB -1.317 37.137 38.487 -0.055 0.000 0.908 224 N HN 0.633 nan 8.380 nan 0.000 0.542 225 A N -0.264 122.512 122.820 -0.075 0.000 2.589 225 A HA 0.380 4.700 4.320 -0.000 0.000 0.283 225 A C 1.655 179.221 177.584 -0.029 0.000 1.187 225 A CA -0.320 51.699 52.037 -0.031 0.000 0.957 225 A CB 0.160 19.160 19.000 -0.001 0.000 1.175 225 A HN 0.300 nan 8.150 nan 0.000 0.532 226 L N -0.649 120.533 121.223 -0.067 0.000 1.988 226 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 226 L C 3.034 179.901 176.870 -0.005 0.000 1.071 226 L CA 1.621 56.436 54.840 -0.043 0.000 0.744 226 L CB -0.677 41.326 42.059 -0.092 0.000 0.893 226 L HN 0.442 nan 8.230 nan 0.000 0.433 227 A N 0.122 122.929 122.820 -0.022 0.000 1.902 227 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 227 A C 2.511 180.100 177.584 0.008 0.000 1.181 227 A CA 1.781 53.809 52.037 -0.014 0.000 0.623 227 A CB -0.718 18.269 19.000 -0.022 0.000 0.818 227 A HN 0.424 nan 8.150 nan 0.000 0.443 228 A N -1.232 121.594 122.820 0.010 0.000 1.933 228 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 228 A C 2.285 179.892 177.584 0.038 0.000 1.175 228 A CA 2.241 54.287 52.037 0.016 0.000 0.628 228 A CB -1.144 17.864 19.000 0.014 0.000 0.814 228 A HN 0.422 nan 8.150 nan 0.000 0.444 229 T N 0.140 114.733 114.554 0.065 0.000 2.737 229 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 229 T C 1.847 176.651 174.700 0.173 0.000 1.038 229 T CA 1.689 63.854 62.100 0.110 0.000 1.144 229 T CB -0.247 68.706 68.868 0.142 0.000 0.866 229 T HN 0.902 nan 8.240 nan 0.000 0.434 230 E N 0.435 120.741 120.200 0.176 0.000 2.358 230 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 230 E C 1.797 178.478 176.600 0.136 0.000 1.010 230 E CA 1.049 57.559 56.400 0.182 0.000 0.856 230 E CB -0.320 29.345 29.700 -0.059 0.000 0.795 230 E HN 0.271 nan 8.360 nan 0.000 0.504 231 T N 1.344 115.947 114.554 0.082 0.000 2.777 231 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 231 T C 1.667 176.402 174.700 0.058 0.000 1.040 231 T CA 1.121 63.256 62.100 0.059 0.000 1.141 231 T CB -0.232 68.650 68.868 0.023 0.000 0.868 231 T HN 0.134 nan 8.240 nan 0.000 0.444 232 L N 1.526 122.777 121.223 0.046 0.000 2.046 232 L HA 0.096 4.436 4.340 -0.000 0.000 0.208 232 L C 2.572 179.474 176.870 0.053 0.000 1.077 232 L CA 1.787 56.641 54.840 0.023 0.000 0.747 232 L CB -0.943 41.115 42.059 -0.001 0.000 0.896 232 L HN 0.218 nan 8.230 nan 0.000 0.432 233 A N -0.937 121.941 122.820 0.097 0.000 1.972 233 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 233 A C 1.964 179.668 177.584 0.201 0.000 1.169 233 A CA 1.793 53.903 52.037 0.120 0.000 0.635 233 A CB -0.736 18.342 19.000 0.129 0.000 0.810 233 A HN 0.534 nan 8.150 nan 0.000 0.446 234 D N -0.527 120.002 120.400 0.215 0.000 2.144 234 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 234 D C 1.928 178.289 176.300 0.102 0.000 0.978 234 D CA 1.569 55.682 54.000 0.187 0.000 0.833 234 D CB -0.100 40.786 40.800 0.144 0.000 0.961 234 D HN 0.447 nan 8.370 nan 0.000 0.470 235 K N 0.560 121.001 120.400 0.068 0.000 2.062 235 K HA 0.055 4.375 4.320 -0.000 0.000 0.205 235 K C 2.112 178.731 176.600 0.031 0.000 1.051 235 K CA 0.575 56.882 56.287 0.033 0.000 0.941 235 K CB -0.326 32.179 32.500 0.008 0.000 0.719 235 K HN 0.052 nan 8.250 nan 0.000 0.440 236 L N 0.338 121.583 121.223 0.036 0.000 2.217 236 L HA -0.089 4.250 4.340 -0.000 0.000 0.211 236 L C 0.683 177.578 176.870 0.041 0.000 1.107 236 L CA 0.865 55.721 54.840 0.027 0.000 0.783 236 L CB -0.100 41.969 42.059 0.017 0.000 0.919 236 L HN 0.377 nan 8.230 nan 0.000 0.442 237 Q N -1.608 118.235 119.800 0.072 0.000 2.305 237 Q HA -0.250 4.089 4.340 -0.000 0.000 0.203 237 Q C 0.602 176.648 176.000 0.076 0.000 0.663 237 Q CA 1.252 57.105 55.803 0.082 0.000 1.389 237 Q CB -2.709 26.060 28.738 0.052 0.000 1.566 237 Q HN 0.713 nan 8.270 nan 0.000 0.755 238 C N -1.106 118.227 119.300 0.055 0.000 2.470 238 C HA 0.838 5.298 4.460 -0.000 0.000 0.350 238 C C 1.258 176.261 174.990 0.021 0.000 1.341 238 C CA -0.276 58.758 59.018 0.027 0.000 2.440 238 C CB 0.521 28.262 27.740 0.003 0.000 2.295 238 C HN 0.503 nan 8.230 nan 0.000 0.645 239 A N 0.845 123.659 122.820 -0.010 0.000 2.477 239 A HA 0.527 4.847 4.320 -0.000 0.000 0.246 239 A C -0.144 177.380 177.584 -0.100 0.000 1.078 239 A CA -0.130 51.884 52.037 -0.038 0.000 0.770 239 A CB -0.281 18.688 19.000 -0.052 0.000 1.011 239 A HN 1.182 nan 8.150 nan 0.000 0.494 240 V N 3.372 123.195 119.914 -0.153 0.000 2.384 240 V HA 0.592 4.712 4.120 -0.000 0.000 0.287 240 V C 0.448 176.371 176.094 -0.285 0.000 1.020 240 V CA 0.016 62.130 62.300 -0.309 0.000 0.850 240 V CB 1.397 32.805 31.823 -0.692 0.000 0.987 240 V HN 1.120 nan 8.190 nan 0.000 0.436 241 T N 2.733 117.152 114.554 -0.225 0.000 2.924 241 T HA 0.868 5.217 4.350 -0.000 0.000 0.291 241 T C -0.580 174.087 174.700 -0.055 0.000 1.045 241 T CA -0.741 61.261 62.100 -0.165 0.000 1.015 241 T CB 2.081 70.889 68.868 -0.100 0.000 1.103 241 T HN 0.603 nan 8.240 nan 0.000 0.496 242 I N -0.825 119.760 120.570 0.026 0.000 2.603 242 I HA 0.597 4.767 4.170 -0.000 0.000 0.300 242 I C -0.061 176.066 176.117 0.016 0.000 1.017 242 I CA -1.520 59.808 61.300 0.046 0.000 1.098 242 I CB 1.784 39.847 38.000 0.104 0.000 1.279 242 I HN 0.538 nan 8.210 nan 0.000 0.437 243 M N 3.178 122.749 119.600 -0.048 0.000 2.228 243 M HA 0.334 4.814 4.480 -0.000 0.000 0.326 243 M C 1.509 177.578 176.300 -0.385 0.000 1.122 243 M CA -0.188 55.010 55.300 -0.171 0.000 1.161 243 M CB 1.354 33.847 32.600 -0.177 0.000 1.437 243 M HN 0.959 nan 8.290 nan 0.000 0.465 244 A N 1.850 124.244 122.820 -0.711 0.000 1.896 244 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 244 A C 2.035 179.166 177.584 -0.756 0.000 1.206 244 A CA 2.592 54.059 52.037 -0.949 0.000 0.647 244 A CB -1.111 16.695 19.000 -1.990 0.000 0.828 244 A HN 0.959 nan 8.150 nan 0.000 0.455 245 A N -1.344 121.045 122.820 -0.718 0.000 2.239 245 A HA 0.455 4.775 4.320 -0.000 0.000 0.209 245 A C 1.767 178.980 177.584 -0.618 0.000 1.171 245 A CA 1.256 52.922 52.037 -0.618 0.000 0.768 245 A CB -0.554 18.139 19.000 -0.512 0.000 0.790 245 A HN 1.165 nan 8.150 nan 0.000 0.478 246 A N -0.555 121.918 122.820 -0.578 0.000 2.500 246 A HA 0.333 4.652 4.320 -0.000 0.000 0.267 246 A C 0.771 177.947 177.584 -0.679 0.000 1.290 246 A CA -0.227 51.380 52.037 -0.717 0.000 0.928 246 A CB -0.346 18.530 19.000 -0.206 0.000 1.066 246 A HN 0.350 nan 8.150 nan 0.000 0.516 247 K N 0.361 120.430 120.400 -0.552 0.000 2.436 247 K HA 0.320 4.639 4.320 -0.000 0.000 0.282 247 K C 1.202 177.606 176.600 -0.327 0.000 1.044 247 K CA 1.242 57.333 56.287 -0.327 0.000 1.028 247 K CB -0.175 32.173 32.500 -0.254 0.000 0.919 247 K HN 0.770 nan 8.250 nan 0.000 0.474 248 G N 3.927 112.645 108.800 -0.136 0.000 2.194 248 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.236 248 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.236 248 G C 0.286 175.306 174.900 0.200 0.000 0.987 248 G CA 0.006 45.094 45.100 -0.021 0.000 0.635 248 G HN 0.570 nan 8.290 nan 0.000 0.520 249 F N -0.241 119.712 119.950 0.005 0.000 2.811 249 F HA 0.573 5.100 4.527 -0.000 0.000 0.301 249 F C 0.748 176.620 175.800 0.120 0.000 1.151 249 F CA -0.761 57.260 58.000 0.035 0.000 1.412 249 F CB -0.308 38.709 39.000 0.028 0.000 1.113 249 F HN 0.167 nan 8.300 nan 0.000 0.579 250 F N 1.503 121.500 119.950 0.078 0.000 2.596 250 F HA 0.478 5.005 4.527 -0.000 0.000 0.311 250 F C -2.623 173.083 175.800 -0.156 0.000 1.116 250 F CA -2.812 55.174 58.000 -0.023 0.000 0.957 250 F CB 1.666 40.677 39.000 0.018 0.000 1.250 250 F HN -0.323 nan 8.300 nan 0.000 0.444 251 P HA 0.124 nan 4.420 nan 0.000 0.270 251 P C -0.335 176.724 177.300 -0.401 0.000 1.242 251 P CA 0.231 63.072 63.100 -0.432 0.000 0.768 251 P CB 0.778 32.242 31.700 -0.393 0.000 0.820 252 E N 1.533 121.454 120.200 -0.465 0.000 2.478 252 E HA -0.143 4.206 4.350 -0.000 0.000 0.198 252 E C 0.718 177.242 176.600 -0.127 0.000 1.046 252 E CA 0.574 56.585 56.400 -0.647 0.000 0.870 252 E CB -0.099 29.224 29.700 -0.628 0.000 0.818 252 E HN 0.523 nan 8.360 nan 0.000 0.527 253 D N 0.251 120.599 120.400 -0.087 0.000 2.219 253 D HA -0.103 4.537 4.640 -0.000 0.000 0.205 253 D C 0.586 176.924 176.300 0.064 0.000 0.970 253 D CA 0.699 54.693 54.000 -0.011 0.000 0.851 253 D CB 0.011 40.778 40.800 -0.054 0.000 0.943 253 D HN 0.157 nan 8.370 nan 0.000 0.488 254 H N -1.045 118.024 119.070 -0.000 0.000 2.897 254 H HA 0.200 4.756 4.556 -0.000 0.000 0.347 254 H C 1.213 176.650 175.328 0.183 0.000 1.068 254 H CA 0.213 56.308 56.048 0.078 0.000 1.426 254 H CB 1.162 30.990 29.762 0.109 0.000 1.410 254 H HN 0.026 nan 8.280 nan 0.000 0.597 255 A N 3.409 126.214 122.820 -0.026 0.000 2.024 255 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 255 A C 2.265 180.012 177.584 0.272 0.000 1.164 255 A CA 1.600 53.689 52.037 0.086 0.000 0.643 255 A CB -0.751 18.225 19.000 -0.039 0.000 0.806 255 A HN 0.850 nan 8.150 nan 0.000 0.451 256 G N -2.253 106.901 108.800 0.590 0.000 2.939 256 G HA2 0.260 4.220 3.960 -0.000 0.000 0.210 256 G HA3 0.260 4.220 3.960 -0.000 0.000 0.210 256 G C 0.301 175.399 174.900 0.330 0.000 1.160 256 G CA -0.329 45.024 45.100 0.421 0.000 0.770 256 G HN 0.401 nan 8.290 nan 0.000 0.543 257 F N 1.657 121.797 119.950 0.316 0.000 2.543 257 F HA 0.364 4.891 4.527 -0.000 0.000 0.375 257 F C 1.201 177.070 175.800 0.114 0.000 1.075 257 F CA -0.401 57.725 58.000 0.211 0.000 1.225 257 F CB 0.888 40.080 39.000 0.319 0.000 1.099 257 F HN -0.144 nan 8.300 nan 0.000 0.561 258 R N 4.049 124.160 120.500 -0.648 0.000 2.509 258 R HA 0.348 4.687 4.340 -0.000 0.000 0.297 258 R C 0.628 176.564 176.300 -0.606 0.000 0.951 258 R CA 0.361 56.184 56.100 -0.462 0.000 1.103 258 R CB 0.274 30.443 30.300 -0.218 0.000 1.283 258 R HN 1.003 nan 8.270 nan 0.000 0.534 259 G N 1.151 109.224 108.800 -1.211 0.000 2.416 259 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.203 259 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.203 259 G C -1.497 173.252 174.900 -0.251 0.000 1.227 259 G CA -0.464 44.229 45.100 -0.679 0.000 1.041 259 G HN 0.121 nan 8.290 nan 0.000 0.546 260 L N 0.638 121.843 121.223 -0.031 0.000 2.275 260 L HA 0.780 5.120 4.340 -0.000 0.000 0.288 260 L C -0.314 176.646 176.870 0.149 0.000 1.046 260 L CA -1.038 53.844 54.840 0.070 0.000 0.805 260 L CB 0.933 43.054 42.059 0.105 0.000 1.193 260 L HN 0.821 nan 8.230 nan 0.000 0.426 261 Y N 5.918 126.244 120.300 0.043 0.000 2.353 261 Y HA 0.449 4.999 4.550 -0.000 0.000 0.340 261 Y C -1.133 174.896 175.900 0.214 0.000 0.972 261 Y CA -0.271 57.893 58.100 0.107 0.000 1.157 261 Y CB 0.861 39.367 38.460 0.077 0.000 1.157 261 Y HN 0.781 nan 8.280 nan 0.000 0.495 262 W N 7.830 128.825 121.300 -0.509 0.000 1.169 262 W HA 0.396 5.056 4.660 -0.000 0.000 0.318 262 W C 0.207 176.531 176.519 -0.326 0.000 0.906 262 W CA -0.547 56.558 57.345 -0.400 0.000 1.379 262 W CB 0.484 29.846 29.460 -0.163 0.000 1.491 262 W HN 0.985 nan 8.180 nan 0.000 0.459 263 G N 2.553 111.139 108.800 -0.357 0.000 2.651 263 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.315 263 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.315 263 G C 1.101 175.976 174.900 -0.042 0.000 1.258 263 G CA 1.316 46.336 45.100 -0.135 0.000 1.002 263 G HN 0.591 nan 8.290 nan 0.000 0.551 264 E N 0.472 120.648 120.200 -0.039 0.000 2.482 264 E HA 0.150 4.500 4.350 -0.000 0.000 0.196 264 E C 1.999 178.580 176.600 -0.031 0.000 1.047 264 E CA 1.393 57.781 56.400 -0.021 0.000 0.869 264 E CB -0.069 29.613 29.700 -0.029 0.000 0.836 264 E HN 1.208 nan 8.360 nan 0.000 0.520 265 V N -1.543 118.333 119.914 -0.063 0.000 3.342 265 V HA 0.230 4.350 4.120 -0.000 0.000 0.322 265 V C 0.415 176.543 176.094 0.056 0.000 1.370 265 V CA -0.722 61.553 62.300 -0.041 0.000 1.170 265 V CB -0.012 31.725 31.823 -0.143 0.000 1.101 265 V HN 0.006 nan 8.190 nan 0.000 0.442 266 S N 2.431 118.175 115.700 0.073 0.000 2.580 266 S HA 0.188 4.658 4.470 -0.000 0.000 0.266 266 S C 0.379 175.036 174.600 0.095 0.000 1.354 266 S CA -0.155 58.116 58.200 0.118 0.000 1.008 266 S CB 0.011 63.296 63.200 0.142 0.000 0.898 266 S HN 0.698 nan 8.310 nan 0.000 0.555 267 N N 2.738 121.493 118.700 0.091 0.000 2.441 267 N HA 0.154 4.894 4.740 -0.000 0.000 0.251 267 N C -2.526 173.015 175.510 0.053 0.000 1.242 267 N CA -1.192 51.895 53.050 0.061 0.000 0.898 267 N CB -0.391 38.117 38.487 0.036 0.000 1.100 267 N HN 0.318 nan 8.380 nan 0.000 0.443 268 P HA -0.032 nan 4.420 nan 0.000 0.261 268 P C 0.954 178.273 177.300 0.033 0.000 1.173 268 P CA 0.691 63.812 63.100 0.036 0.000 0.760 268 P CB 0.247 31.964 31.700 0.028 0.000 0.783 269 G N 1.724 110.547 108.800 0.038 0.000 2.347 269 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.247 269 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.247 269 G C 1.003 175.928 174.900 0.042 0.000 1.037 269 G CA 0.281 45.401 45.100 0.033 0.000 0.622 269 G HN 0.400 nan 8.290 nan 0.000 0.521 270 V N 1.153 121.101 119.914 0.056 0.000 2.358 270 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 270 V C 2.670 178.849 176.094 0.141 0.000 1.047 270 V CA 2.987 65.331 62.300 0.073 0.000 1.035 270 V CB -0.482 31.392 31.823 0.085 0.000 0.658 270 V HN 0.641 nan 8.190 nan 0.000 0.452 271 Q N 0.028 119.952 119.800 0.207 0.000 2.045 271 Q HA -0.289 4.051 4.340 -0.000 0.000 0.206 271 Q C 2.415 178.503 176.000 0.147 0.000 0.991 271 Q CA 2.324 58.298 55.803 0.284 0.000 0.851 271 Q CB -0.233 28.641 28.738 0.226 0.000 0.911 271 Q HN 0.663 nan 8.270 nan 0.000 0.418 272 E N 0.114 120.367 120.200 0.088 0.000 2.085 272 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 272 E C 2.149 178.757 176.600 0.013 0.000 0.994 272 E CA 1.028 57.455 56.400 0.046 0.000 0.801 272 E CB -0.188 29.533 29.700 0.035 0.000 0.743 272 E HN 0.457 nan 8.360 nan 0.000 0.453 273 L N 0.455 121.680 121.223 0.004 0.000 1.997 273 L HA -0.236 4.104 4.340 -0.000 0.000 0.216 273 L C 2.771 179.601 176.870 -0.068 0.000 1.074 273 L CA 2.045 56.868 54.840 -0.028 0.000 0.763 273 L CB -0.505 41.534 42.059 -0.033 0.000 0.890 273 L HN 0.205 nan 8.230 nan 0.000 0.434 274 V N -2.883 116.955 119.914 -0.126 0.000 2.500 274 V HA -0.141 3.978 4.120 -0.000 0.000 0.243 274 V C 2.085 178.075 176.094 -0.174 0.000 1.039 274 V CA 1.411 63.574 62.300 -0.228 0.000 1.053 274 V CB -0.197 31.315 31.823 -0.519 0.000 0.695 274 V HN 0.369 nan 8.190 nan 0.000 0.463 275 E N 0.187 120.318 120.200 -0.116 0.000 2.204 275 E HA -0.149 4.200 4.350 -0.000 0.000 0.195 275 E C 1.961 178.548 176.600 -0.021 0.000 0.990 275 E CA 1.686 58.068 56.400 -0.031 0.000 0.821 275 E CB -0.116 29.619 29.700 0.057 0.000 0.750 275 E HN 0.668 nan 8.360 nan 0.000 0.477 276 T N -1.113 113.426 114.554 -0.025 0.000 3.054 276 T HA 0.133 4.483 4.350 -0.000 0.000 0.255 276 T C 0.267 174.954 174.700 -0.021 0.000 1.035 276 T CA -0.013 62.078 62.100 -0.015 0.000 0.941 276 T CB 0.149 69.014 68.868 -0.004 0.000 1.026 276 T HN 0.018 nan 8.240 nan 0.000 0.533 277 S N 1.394 117.073 115.700 -0.035 0.000 2.552 277 S HA -0.016 4.454 4.470 -0.000 0.000 0.289 277 S C 1.265 175.853 174.600 -0.020 0.000 1.304 277 S CA -0.296 57.885 58.200 -0.032 0.000 1.063 277 S CB 0.481 63.654 63.200 -0.045 0.000 0.848 277 S HN 0.318 nan 8.310 nan 0.000 0.499 278 D N 3.095 123.487 120.400 -0.013 0.000 2.149 278 D HA -0.012 4.628 4.640 -0.000 0.000 0.198 278 D C 0.342 176.640 176.300 -0.003 0.000 0.990 278 D CA 1.528 55.524 54.000 -0.007 0.000 0.839 278 D CB 0.012 40.810 40.800 -0.004 0.000 0.948 278 D HN 0.679 nan 8.370 nan 0.000 0.460 279 A N 0.131 122.949 122.820 -0.003 0.000 2.741 279 A HA 0.385 4.705 4.320 -0.000 0.000 0.298 279 A C -1.321 176.266 177.584 0.005 0.000 1.153 279 A CA -0.621 51.420 52.037 0.007 0.000 0.816 279 A CB 0.349 19.357 19.000 0.013 0.000 1.396 279 A HN 0.091 nan 8.150 nan 0.000 0.407 280 L N 2.968 124.194 121.223 0.005 0.000 2.342 280 L HA 0.410 4.750 4.340 -0.000 0.000 0.285 280 L C -0.259 176.631 176.870 0.034 0.000 1.095 280 L CA -0.164 54.677 54.840 0.002 0.000 0.843 280 L CB 0.562 42.613 42.059 -0.012 0.000 1.201 280 L HN 0.650 nan 8.230 nan 0.000 0.445 281 L N 6.110 127.352 121.223 0.032 0.000 2.385 281 L HA 0.185 4.524 4.340 -0.000 0.000 0.285 281 L C -0.465 176.443 176.870 0.065 0.000 1.125 281 L CA -0.201 54.676 54.840 0.062 0.000 0.890 281 L CB 0.289 42.380 42.059 0.053 0.000 1.251 281 L HN 0.749 nan 8.230 nan 0.000 0.445 282 C N 6.826 126.185 119.300 0.098 0.000 2.223 282 C HA 0.483 4.942 4.460 -0.000 0.000 0.324 282 C C 0.194 175.245 174.990 0.102 0.000 1.196 282 C CA -0.758 58.332 59.018 0.119 0.000 1.628 282 C CB -0.919 26.946 27.740 0.208 0.000 2.229 282 C HN 0.624 nan 8.230 nan 0.000 0.486 283 I N 6.278 126.888 120.570 0.067 0.000 2.355 283 I HA 0.436 4.606 4.170 -0.000 0.000 0.288 283 I C 1.009 177.140 176.117 0.025 0.000 0.999 283 I CA -0.040 61.297 61.300 0.062 0.000 1.163 283 I CB 1.279 39.324 38.000 0.074 0.000 1.316 283 I HN 0.856 nan 8.210 nan 0.000 0.454 284 A N 5.795 128.621 122.820 0.010 0.000 2.791 284 A HA -0.117 4.203 4.320 -0.000 0.000 0.292 284 A C -2.407 175.127 177.584 -0.083 0.000 1.487 284 A CA -0.220 51.804 52.037 -0.022 0.000 0.760 284 A CB -1.970 17.028 19.000 -0.003 0.000 1.031 284 A HN 0.486 nan 8.150 nan 0.000 0.503 285 P HA 0.488 nan 4.420 nan 0.000 0.276 285 P C -0.347 176.702 177.300 -0.419 0.000 1.244 285 P CA -0.197 62.655 63.100 -0.414 0.000 0.801 285 P CB 1.553 32.778 31.700 -0.792 0.000 1.006 286 V N 2.952 122.589 119.914 -0.462 0.000 2.325 286 V HA 0.247 4.367 4.120 -0.000 0.000 0.280 286 V C -0.410 175.482 176.094 -0.337 0.000 1.016 286 V CA -0.320 61.800 62.300 -0.300 0.000 0.818 286 V CB 0.075 31.801 31.823 -0.162 0.000 1.019 286 V HN 0.303 nan 8.190 nan 0.000 0.434 287 F N 5.335 125.264 119.950 -0.036 0.000 2.368 287 F HA 0.493 5.020 4.527 -0.000 0.000 0.362 287 F C 0.672 176.362 175.800 -0.183 0.000 1.137 287 F CA -0.751 57.151 58.000 -0.163 0.000 1.161 287 F CB 0.477 39.293 39.000 -0.306 0.000 1.265 287 F HN 0.690 nan 8.300 nan 0.000 0.530 288 N N 0.196 118.876 118.700 -0.033 0.000 3.091 288 N HA 0.242 4.982 4.740 -0.000 0.000 0.329 288 N C 0.473 175.636 175.510 -0.578 0.000 1.430 288 N CA -0.748 52.228 53.050 -0.122 0.000 0.755 288 N CB 0.302 38.750 38.487 -0.064 0.000 1.626 288 N HN 0.241 nan 8.380 nan 0.000 0.614 289 D N -1.493 118.473 120.400 -0.723 0.000 2.264 289 D HA -0.189 4.451 4.640 -0.000 0.000 0.208 289 D C 0.832 176.968 176.300 -0.274 0.000 0.966 289 D CA 1.353 54.745 54.000 -1.013 0.000 0.864 289 D CB -0.316 40.146 40.800 -0.564 0.000 0.933 289 D HN 0.436 nan 8.370 nan 0.000 0.499 290 Y N 1.749 121.970 120.300 -0.132 0.000 2.231 290 Y HA -0.033 4.517 4.550 -0.000 0.000 0.294 290 Y C 3.007 179.163 175.900 0.427 0.000 1.120 290 Y CA 0.717 58.980 58.100 0.273 0.000 1.141 290 Y CB -0.829 37.849 38.460 0.363 0.000 1.022 290 Y HN 0.124 nan 8.280 nan 0.000 0.523 291 S N -0.997 114.880 115.700 0.296 0.000 2.406 291 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 291 S C 1.759 176.526 174.600 0.279 0.000 1.020 291 S CA 1.408 59.715 58.200 0.178 0.000 0.965 291 S CB -1.163 62.002 63.200 -0.058 0.000 0.798 291 S HN 0.502 nan 8.310 nan 0.000 0.488 292 T N -0.725 113.895 114.554 0.109 0.000 3.129 292 T HA 0.316 4.665 4.350 -0.000 0.000 0.251 292 T C 0.491 175.216 174.700 0.041 0.000 1.117 292 T CA 0.131 62.283 62.100 0.086 0.000 1.034 292 T CB -0.762 68.074 68.868 -0.053 0.000 0.968 292 T HN 0.620 nan 8.240 nan 0.000 0.526 293 V N 1.133 121.089 119.914 0.070 0.000 6.029 293 V HA -0.093 4.027 4.120 -0.000 0.000 0.242 293 V C 1.408 177.380 176.094 -0.204 0.000 0.637 293 V CA 0.521 62.780 62.300 -0.069 0.000 0.603 293 V CB -2.753 29.036 31.823 -0.057 0.000 0.423 293 V HN 1.234 nan 8.190 nan 0.000 0.520 294 G N 1.518 110.096 108.800 -0.370 0.000 2.305 294 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.287 294 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.287 294 G C 0.288 175.062 174.900 -0.210 0.000 1.036 294 G CA 0.800 45.658 45.100 -0.403 0.000 0.887 294 G HN 2.150 nan 8.290 nan 0.000 0.505 295 W N -2.621 118.721 121.300 0.071 0.000 2.869 295 W HA -0.328 4.332 4.660 -0.000 0.000 0.285 295 W C 1.839 178.464 176.519 0.176 0.000 1.098 295 W CA 1.005 58.435 57.345 0.143 0.000 0.571 295 W CB -2.112 27.442 29.460 0.157 0.000 2.131 295 W HN 1.103 nan 8.180 nan 0.000 1.367 296 S N -0.820 115.016 115.700 0.228 0.000 2.486 296 S HA 0.519 4.989 4.470 -0.000 0.000 0.220 296 S C 0.925 175.643 174.600 0.197 0.000 1.011 296 S CA 0.357 58.666 58.200 0.180 0.000 0.921 296 S CB 0.562 63.815 63.200 0.087 0.000 0.785 296 S HN 0.706 nan 8.310 nan 0.000 0.517 297 A N 0.948 123.903 122.820 0.225 0.000 2.978 297 A HA 0.555 4.875 4.320 -0.000 0.000 0.341 297 A C -1.205 176.610 177.584 0.385 0.000 1.105 297 A CA -0.452 51.747 52.037 0.270 0.000 0.819 297 A CB -0.192 18.889 19.000 0.134 0.000 1.080 297 A HN 0.514 nan 8.150 nan 0.000 0.476 298 W N 4.258 125.612 121.300 0.091 0.000 2.533 298 W HA 0.546 5.205 4.660 -0.000 0.000 0.291 298 W C -3.149 173.257 176.519 -0.189 0.000 1.013 298 W CA -3.066 54.204 57.345 -0.124 0.000 1.436 298 W CB 1.150 30.587 29.460 -0.037 0.000 1.291 298 W HN 0.330 nan 8.180 nan 0.000 0.396 299 P HA 0.315 nan 4.420 nan 0.000 0.276 299 P C -0.809 176.351 177.300 -0.232 0.000 1.243 299 P CA 0.319 63.369 63.100 -0.084 0.000 0.768 299 P CB 0.961 32.669 31.700 0.013 0.000 0.856 300 K N 1.053 121.297 120.400 -0.261 0.000 2.556 300 K HA 0.802 5.122 4.320 -0.000 0.000 0.289 300 K C -0.297 176.200 176.600 -0.172 0.000 1.040 300 K CA -0.936 55.196 56.287 -0.260 0.000 0.894 300 K CB 0.952 33.150 32.500 -0.503 0.000 1.547 300 K HN 0.588 nan 8.250 nan 0.000 0.417 301 G N -0.101 108.619 108.800 -0.134 0.000 2.526 301 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.250 301 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.250 301 G C -2.061 172.811 174.900 -0.047 0.000 1.289 301 G CA -0.354 44.690 45.100 -0.093 0.000 0.947 301 G HN 0.488 nan 8.290 nan 0.000 0.517 302 P HA -0.072 nan 4.420 nan 0.000 0.216 302 P C 1.167 178.466 177.300 -0.001 0.000 1.150 302 P CA 1.467 64.560 63.100 -0.012 0.000 0.837 302 P CB -0.111 31.581 31.700 -0.013 0.000 0.786 303 N N -0.400 118.294 118.700 -0.009 0.000 2.461 303 N HA 0.032 4.772 4.740 -0.000 0.000 0.188 303 N C 0.087 175.602 175.510 0.008 0.000 1.134 303 N CA 0.302 53.351 53.050 -0.001 0.000 0.878 303 N CB 0.200 38.680 38.487 -0.011 0.000 0.972 303 N HN 0.106 nan 8.380 nan 0.000 0.456 304 V N 1.831 121.752 119.914 0.013 0.000 2.398 304 V HA 0.359 4.479 4.120 -0.000 0.000 0.286 304 V C 0.244 176.373 176.094 0.059 0.000 1.026 304 V CA -0.716 61.605 62.300 0.034 0.000 0.868 304 V CB 1.895 33.736 31.823 0.030 0.000 0.982 304 V HN -0.048 nan 8.190 nan 0.000 0.443 305 I N 5.922 126.538 120.570 0.077 0.000 2.287 305 I HA 0.243 4.412 4.170 -0.000 0.000 0.290 305 I C -0.344 175.837 176.117 0.106 0.000 1.069 305 I CA -0.320 61.039 61.300 0.098 0.000 1.237 305 I CB 1.024 39.096 38.000 0.120 0.000 1.418 305 I HN 0.379 nan 8.210 nan 0.000 0.481 306 L N 7.529 128.811 121.223 0.098 0.000 2.268 306 L HA 0.547 4.887 4.340 -0.000 0.000 0.289 306 L C 0.272 177.173 176.870 0.050 0.000 1.064 306 L CA -0.069 54.837 54.840 0.110 0.000 0.824 306 L CB 0.518 42.655 42.059 0.130 0.000 1.202 306 L HN 0.633 nan 8.230 nan 0.000 0.433 307 A N 5.621 128.470 122.820 0.048 0.000 2.316 307 A HA 0.604 4.924 4.320 -0.000 0.000 0.324 307 A C -0.059 177.524 177.584 -0.002 0.000 1.375 307 A CA -0.601 51.425 52.037 -0.018 0.000 0.882 307 A CB 0.073 19.110 19.000 0.062 0.000 1.152 307 A HN 0.764 nan 8.150 nan 0.000 0.512 308 E N 2.644 122.821 120.200 -0.040 0.000 2.267 308 E HA 0.279 4.629 4.350 -0.000 0.000 0.258 308 E C -1.778 174.794 176.600 -0.047 0.000 1.074 308 E CA -2.000 54.380 56.400 -0.032 0.000 0.915 308 E CB 0.750 30.432 29.700 -0.030 0.000 1.186 308 E HN 0.289 nan 8.360 nan 0.000 0.439 309 P HA -0.138 nan 4.420 nan 0.000 0.226 309 P C 0.150 177.409 177.300 -0.069 0.000 1.146 309 P CA 1.411 64.487 63.100 -0.040 0.000 0.773 309 P CB 0.262 31.933 31.700 -0.048 0.000 0.772 310 D N -2.378 117.945 120.400 -0.129 0.000 2.449 310 D HA 0.100 4.740 4.640 -0.000 0.000 0.255 310 D C 0.505 176.579 176.300 -0.377 0.000 1.121 310 D CA 0.172 54.053 54.000 -0.198 0.000 0.830 310 D CB 0.974 41.690 40.800 -0.139 0.000 1.280 310 D HN 0.126 nan 8.370 nan 0.000 0.522 311 R N -1.271 119.016 120.500 -0.355 0.000 2.690 311 R HA 0.610 4.950 4.340 -0.000 0.000 0.269 311 R C -2.029 174.115 176.300 -0.259 0.000 1.037 311 R CA -0.794 55.071 56.100 -0.393 0.000 0.877 311 R CB 1.021 31.186 30.300 -0.224 0.000 1.255 311 R HN -0.207 nan 8.270 nan 0.000 0.467 312 V N 1.122 120.937 119.914 -0.165 0.000 2.638 312 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 312 V C -0.754 175.390 176.094 0.083 0.000 1.052 312 V CA -0.608 61.626 62.300 -0.110 0.000 0.885 312 V CB 2.343 33.950 31.823 -0.359 0.000 0.999 312 V HN 0.887 nan 8.190 nan 0.000 0.424 313 T N 4.046 118.639 114.554 0.065 0.000 2.791 313 T HA 0.656 5.005 4.350 -0.000 0.000 0.288 313 T C -0.792 173.983 174.700 0.125 0.000 0.999 313 T CA -0.490 61.672 62.100 0.102 0.000 0.952 313 T CB 1.499 70.397 68.868 0.051 0.000 0.938 313 T HN 0.589 nan 8.240 nan 0.000 0.444 314 V N 3.406 123.434 119.914 0.190 0.000 2.752 314 V HA 0.482 4.602 4.120 -0.000 0.000 0.302 314 V C -0.886 175.308 176.094 0.167 0.000 1.133 314 V CA -0.559 61.841 62.300 0.166 0.000 0.919 314 V CB 1.687 33.610 31.823 0.167 0.000 1.026 314 V HN 0.933 nan 8.190 nan 0.000 0.429 315 D N 4.790 125.250 120.400 0.100 0.000 2.800 315 D HA -0.102 4.537 4.640 -0.000 0.000 0.232 315 D C 0.984 177.321 176.300 0.062 0.000 1.137 315 D CA 2.195 56.241 54.000 0.077 0.000 0.718 315 D CB -1.192 39.662 40.800 0.090 0.000 1.084 315 D HN 2.263 nan 8.370 nan 0.000 0.432 316 G N -0.410 108.415 108.800 0.040 0.000 2.143 316 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.248 316 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.248 316 G C 0.315 175.203 174.900 -0.019 0.000 0.991 316 G CA 0.448 45.552 45.100 0.007 0.000 0.689 316 G HN 0.634 nan 8.290 nan 0.000 0.522 317 R N -0.497 119.992 120.500 -0.020 0.000 2.673 317 R HA 0.711 5.050 4.340 -0.000 0.000 0.281 317 R C -0.301 175.858 176.300 -0.235 0.000 0.991 317 R CA -0.119 55.873 56.100 -0.181 0.000 0.896 317 R CB 1.978 32.101 30.300 -0.294 0.000 1.201 317 R HN 0.580 nan 8.270 nan 0.000 0.457 318 A N 2.608 125.229 122.820 -0.332 0.000 2.304 318 A HA 0.628 4.948 4.320 -0.000 0.000 0.323 318 A C -1.449 175.905 177.584 -0.382 0.000 1.195 318 A CA -0.420 51.483 52.037 -0.223 0.000 0.826 318 A CB 0.513 19.440 19.000 -0.122 0.000 1.184 318 A HN 0.628 nan 8.150 nan 0.000 0.496 319 Y N 2.090 122.386 120.300 -0.006 0.000 2.331 319 Y HA 0.471 5.021 4.550 -0.000 0.000 0.334 319 Y C 0.136 175.959 175.900 -0.128 0.000 0.960 319 Y CA -0.892 57.236 58.100 0.047 0.000 1.130 319 Y CB 1.754 40.342 38.460 0.212 0.000 1.164 319 Y HN 0.812 nan 8.280 nan 0.000 0.458 320 D N 0.591 120.963 120.400 -0.047 0.000 2.497 320 D HA 0.548 5.188 4.640 -0.000 0.000 0.243 320 D C 0.689 176.825 176.300 -0.273 0.000 1.039 320 D CA -0.541 53.283 54.000 -0.294 0.000 1.052 320 D CB 2.031 42.725 40.800 -0.177 0.000 1.344 320 D HN 0.724 nan 8.370 nan 0.000 0.553 321 G N -0.261 108.343 108.800 -0.326 0.000 2.130 321 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.216 321 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.216 321 G C -0.277 174.611 174.900 -0.021 0.000 0.999 321 G CA 0.315 45.342 45.100 -0.122 0.000 0.686 321 G HN 0.782 nan 8.290 nan 0.000 0.515 322 F N -1.231 118.707 119.950 -0.020 0.000 2.662 322 F HA 0.830 5.357 4.527 -0.000 0.000 0.312 322 F C 0.125 175.917 175.800 -0.013 0.000 1.113 322 F CA -1.044 56.939 58.000 -0.027 0.000 0.951 322 F CB 0.511 39.498 39.000 -0.022 0.000 1.344 322 F HN 0.403 nan 8.300 nan 0.000 0.462 323 T N -0.154 114.552 114.554 0.253 0.000 2.904 323 T HA 0.298 4.647 4.350 -0.000 0.000 0.290 323 T C 0.792 175.668 174.700 0.294 0.000 1.018 323 T CA -0.512 61.686 62.100 0.162 0.000 1.075 323 T CB 1.466 70.394 68.868 0.099 0.000 0.986 323 T HN 0.903 nan 8.240 nan 0.000 0.523 324 L N 1.144 122.475 121.223 0.181 0.000 2.042 324 L HA -0.032 4.308 4.340 -0.000 0.000 0.210 324 L C 2.827 179.843 176.870 0.242 0.000 1.076 324 L CA 1.700 56.678 54.840 0.230 0.000 0.749 324 L CB -0.763 41.366 42.059 0.117 0.000 0.893 324 L HN 0.805 nan 8.230 nan 0.000 0.432 325 R N -0.316 120.269 120.500 0.141 0.000 2.083 325 R HA -0.190 4.149 4.340 -0.000 0.000 0.237 325 R C 2.069 178.423 176.300 0.090 0.000 1.137 325 R CA 1.677 57.831 56.100 0.091 0.000 0.951 325 R CB -0.554 29.774 30.300 0.047 0.000 0.851 325 R HN 0.534 nan 8.270 nan 0.000 0.434 326 A N 0.229 123.117 122.820 0.114 0.000 1.933 326 A HA -0.181 4.138 4.320 -0.000 0.000 0.218 326 A C 1.997 179.603 177.584 0.037 0.000 1.175 326 A CA 1.211 53.289 52.037 0.067 0.000 0.628 326 A CB -0.723 18.318 19.000 0.069 0.000 0.814 326 A HN 0.498 nan 8.150 nan 0.000 0.444 327 F N 0.608 120.537 119.950 -0.034 0.000 2.102 327 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 327 F C 1.849 177.612 175.800 -0.062 0.000 1.105 327 F CA 1.692 59.622 58.000 -0.117 0.000 1.239 327 F CB -0.282 38.744 39.000 0.043 0.000 0.991 327 F HN 0.132 nan 8.300 nan 0.000 0.474 328 L N -0.267 120.926 121.223 -0.050 0.000 2.093 328 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 328 L C 2.519 179.295 176.870 -0.156 0.000 1.085 328 L CA 1.300 56.056 54.840 -0.141 0.000 0.755 328 L CB -0.815 41.263 42.059 0.033 0.000 0.904 328 L HN 0.217 nan 8.230 nan 0.000 0.435 329 Q N -0.224 119.519 119.800 -0.095 0.000 2.050 329 Q HA -0.188 4.151 4.340 -0.000 0.000 0.202 329 Q C 2.434 178.359 176.000 -0.126 0.000 0.980 329 Q CA 1.926 57.680 55.803 -0.082 0.000 0.840 329 Q CB -0.235 28.478 28.738 -0.042 0.000 0.898 329 Q HN 0.543 nan 8.270 nan 0.000 0.424 330 A N 0.286 123.004 122.820 -0.170 0.000 1.933 330 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 330 A C 1.973 179.409 177.584 -0.247 0.000 1.175 330 A CA 1.112 53.036 52.037 -0.188 0.000 0.628 330 A CB -0.593 18.288 19.000 -0.199 0.000 0.814 330 A HN 0.385 nan 8.150 nan 0.000 0.444 331 L N -0.280 120.708 121.223 -0.392 0.000 2.093 331 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 331 L C 2.623 179.361 176.870 -0.221 0.000 1.085 331 L CA 1.998 56.601 54.840 -0.395 0.000 0.755 331 L CB -0.668 41.002 42.059 -0.648 0.000 0.904 331 L HN 0.329 nan 8.230 nan 0.000 0.435 332 A N -0.812 121.904 122.820 -0.174 0.000 2.019 332 A HA -0.164 4.155 4.320 -0.000 0.000 0.219 332 A C 2.072 179.611 177.584 -0.076 0.000 1.164 332 A CA 1.546 53.525 52.037 -0.097 0.000 0.644 332 A CB -0.486 18.474 19.000 -0.066 0.000 0.805 332 A HN 0.590 nan 8.150 nan 0.000 0.449 333 E N 0.081 120.229 120.200 -0.087 0.000 2.106 333 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 333 E C 1.315 177.878 176.600 -0.062 0.000 0.984 333 E CA 1.006 57.367 56.400 -0.065 0.000 0.806 333 E CB -0.164 29.496 29.700 -0.066 0.000 0.750 333 E HN 0.485 nan 8.360 nan 0.000 0.458 334 K N 0.110 120.461 120.400 -0.082 0.000 2.354 334 K HA 0.243 4.563 4.320 -0.000 0.000 0.194 334 K C 0.771 177.333 176.600 -0.063 0.000 1.045 334 K CA 0.094 56.339 56.287 -0.071 0.000 1.026 334 K CB 0.584 33.033 32.500 -0.084 0.000 0.866 334 K HN -0.031 nan 8.250 nan 0.000 0.530 335 A N 4.500 127.277 122.820 -0.072 0.000 2.498 335 A HA 0.190 4.510 4.320 -0.000 0.000 0.239 335 A C -2.053 175.512 177.584 -0.033 0.000 1.068 335 A CA -0.651 51.353 52.037 -0.056 0.000 0.766 335 A CB -0.349 18.614 19.000 -0.061 0.000 1.003 335 A HN -0.010 nan 8.150 nan 0.000 0.497 336 P HA 0.431 nan 4.420 nan 0.000 0.278 336 P C -0.603 176.694 177.300 -0.006 0.000 1.266 336 P CA -0.339 62.753 63.100 -0.013 0.000 0.807 336 P CB 0.986 32.679 31.700 -0.010 0.000 1.094 337 A N 1.587 124.406 122.820 -0.000 0.000 2.309 337 A HA 0.475 4.794 4.320 -0.000 0.000 0.290 337 A C 0.088 177.676 177.584 0.007 0.000 1.206 337 A CA -0.228 51.813 52.037 0.007 0.000 0.850 337 A CB -0.409 18.597 19.000 0.009 0.000 1.118 337 A HN 0.363 nan 8.150 nan 0.000 0.523 338 R N 3.201 123.707 120.500 0.010 0.000 2.547 338 R HA 0.361 4.701 4.340 -0.000 0.000 0.280 338 R C -2.438 173.870 176.300 0.013 0.000 1.630 338 R CA -1.544 54.561 56.100 0.009 0.000 1.470 338 R CB 1.282 31.584 30.300 0.004 0.000 1.178 338 R HN 0.488 nan 8.270 nan 0.000 0.591 339 P HA 0.070 nan 4.420 nan 0.000 0.251 339 P C 0.855 178.164 177.300 0.015 0.000 1.223 339 P CA 0.287 63.399 63.100 0.021 0.000 0.796 339 P CB 0.534 32.248 31.700 0.022 0.000 1.068 340 A N 1.129 123.955 122.820 0.010 0.000 1.915 340 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 340 A C 2.321 179.907 177.584 0.004 0.000 1.198 340 A CA 2.807 54.847 52.037 0.006 0.000 0.647 340 A CB -1.716 17.286 19.000 0.003 0.000 0.825 340 A HN 0.314 nan 8.150 nan 0.000 0.456 341 S N 0.268 115.969 115.700 0.000 0.000 2.368 341 S HA -0.015 4.455 4.470 -0.000 0.000 0.225 341 S C 2.189 176.788 174.600 -0.002 0.000 1.030 341 S CA 1.328 59.523 58.200 -0.007 0.000 0.999 341 S CB -0.619 62.571 63.200 -0.017 0.000 0.844 341 S HN 0.896 nan 8.310 nan 0.000 0.459 342 A N 2.454 125.280 122.820 0.010 0.000 1.897 342 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 342 A C 2.282 179.879 177.584 0.021 0.000 1.181 342 A CA 1.223 53.273 52.037 0.022 0.000 0.620 342 A CB -0.652 18.376 19.000 0.046 0.000 0.821 342 A HN 0.699 nan 8.150 nan 0.000 0.443 343 Q N -1.256 118.555 119.800 0.019 0.000 2.435 343 Q HA 0.024 4.364 4.340 -0.000 0.000 0.207 343 Q C 0.730 176.737 176.000 0.012 0.000 0.956 343 Q CA 1.148 56.961 55.803 0.017 0.000 0.917 343 Q CB -0.168 28.580 28.738 0.016 0.000 0.997 343 Q HN 0.325 nan 8.270 nan 0.000 0.497 344 K N 1.196 121.601 120.400 0.008 0.000 2.410 344 K HA 0.137 4.457 4.320 -0.000 0.000 0.200 344 K C -0.517 176.086 176.600 0.004 0.000 1.023 344 K CA 0.050 56.340 56.287 0.006 0.000 1.149 344 K CB 1.070 33.572 32.500 0.003 0.000 0.859 344 K HN 0.363 nan 8.250 nan 0.000 0.514 345 S N -2.409 113.294 115.700 0.005 0.000 2.570 345 S HA 0.576 5.046 4.470 -0.000 0.000 0.270 345 S C -0.553 174.050 174.600 0.006 0.000 1.149 345 S CA -1.006 57.195 58.200 0.001 0.000 0.837 345 S CB 1.782 64.976 63.200 -0.011 0.000 1.124 345 S HN -0.115 nan 8.310 nan 0.000 0.465 346 S N 0.778 116.482 115.700 0.005 0.000 2.617 346 S HA 0.557 5.027 4.470 -0.000 0.000 0.283 346 S C 0.078 174.685 174.600 0.012 0.000 1.189 346 S CA -0.658 57.551 58.200 0.014 0.000 1.036 346 S CB 1.510 64.720 63.200 0.017 0.000 1.014 346 S HN 1.024 nan 8.310 nan 0.000 0.522 347 V N 4.888 124.822 119.914 0.034 0.000 2.599 347 V HA 0.188 4.308 4.120 -0.000 0.000 0.300 347 V C -2.038 174.084 176.094 0.047 0.000 1.034 347 V CA -1.504 60.830 62.300 0.056 0.000 1.115 347 V CB 0.255 32.135 31.823 0.095 0.000 0.934 347 V HN 0.695 nan 8.190 nan 0.000 0.485 348 P HA 0.206 nan 4.420 nan 0.000 0.271 348 P C -0.519 176.829 177.300 0.079 0.000 1.216 348 P CA 0.177 63.298 63.100 0.034 0.000 0.771 348 P CB 1.026 32.725 31.700 -0.001 0.000 0.864 349 T N 1.543 116.134 114.554 0.061 0.000 2.916 349 T HA 0.489 4.839 4.350 -0.000 0.000 0.292 349 T C -1.400 173.334 174.700 0.057 0.000 1.064 349 T CA -0.517 61.620 62.100 0.061 0.000 1.011 349 T CB 0.952 69.848 68.868 0.046 0.000 1.152 349 T HN 0.545 nan 8.240 nan 0.000 0.510 350 C N 2.841 122.173 119.300 0.053 0.000 2.432 350 C HA 0.709 5.169 4.460 -0.000 0.000 0.334 350 C C 0.161 175.174 174.990 0.038 0.000 1.155 350 C CA -0.560 58.487 59.018 0.049 0.000 1.335 350 C CB 0.181 27.956 27.740 0.059 0.000 1.964 350 C HN 0.895 nan 8.230 nan 0.000 0.444 351 S N 5.134 120.854 115.700 0.033 0.000 2.455 351 S HA 0.576 5.046 4.470 -0.000 0.000 0.278 351 S C -0.557 174.058 174.600 0.024 0.000 1.216 351 S CA -0.064 58.151 58.200 0.026 0.000 1.055 351 S CB -0.084 63.129 63.200 0.022 0.000 0.939 351 S HN 0.668 nan 8.310 nan 0.000 0.494 352 L N 4.217 125.453 121.223 0.022 0.000 2.343 352 L HA 0.356 4.696 4.340 -0.000 0.000 0.278 352 L C 0.536 177.418 176.870 0.020 0.000 0.996 352 L CA -0.642 54.211 54.840 0.022 0.000 0.831 352 L CB 1.931 44.004 42.059 0.023 0.000 1.232 352 L HN 0.489 nan 8.230 nan 0.000 0.413 353 T N 2.755 117.320 114.554 0.019 0.000 2.834 353 T HA 0.481 4.830 4.350 -0.000 0.000 0.298 353 T C 0.184 174.897 174.700 0.023 0.000 0.966 353 T CA -0.372 61.739 62.100 0.017 0.000 1.141 353 T CB 0.505 69.381 68.868 0.013 0.000 0.905 353 T HN 0.639 nan 8.240 nan 0.000 0.535 354 A N 4.532 127.366 122.820 0.022 0.000 2.306 354 A HA 0.654 4.973 4.320 -0.000 0.000 0.314 354 A C 0.588 178.188 177.584 0.027 0.000 1.164 354 A CA -0.584 51.471 52.037 0.029 0.000 0.822 354 A CB 1.243 20.257 19.000 0.024 0.000 1.130 354 A HN 0.874 nan 8.150 nan 0.000 0.496 355 T N -0.046 114.529 114.554 0.035 0.000 2.841 355 T HA 0.637 4.987 4.350 -0.000 0.000 0.276 355 T C 0.613 175.332 174.700 0.032 0.000 1.003 355 T CA 0.205 62.323 62.100 0.029 0.000 0.995 355 T CB 0.879 69.763 68.868 0.027 0.000 1.260 355 T HN 1.318 nan 8.240 nan 0.000 0.581 356 S N 0.499 116.215 115.700 0.027 0.000 2.693 356 S HA 0.303 4.773 4.470 -0.000 0.000 0.276 356 S C 0.770 175.390 174.600 0.034 0.000 1.192 356 S CA -0.404 57.813 58.200 0.028 0.000 0.994 356 S CB 0.762 63.974 63.200 0.020 0.000 1.012 356 S HN 0.677 nan 8.310 nan 0.000 0.550 357 D N 0.698 121.119 120.400 0.036 0.000 2.149 357 D HA -0.102 4.538 4.640 -0.000 0.000 0.194 357 D C 1.438 177.755 176.300 0.029 0.000 1.001 357 D CA 1.519 55.543 54.000 0.040 0.000 0.849 357 D CB 0.008 40.830 40.800 0.036 0.000 0.939 357 D HN 0.695 nan 8.370 nan 0.000 0.449 358 E N -0.291 119.922 120.200 0.021 0.000 2.481 358 E HA 0.237 4.587 4.350 -0.000 0.000 0.198 358 E C 0.525 177.132 176.600 0.012 0.000 1.027 358 E CA -0.121 56.288 56.400 0.015 0.000 0.900 358 E CB 0.475 30.184 29.700 0.014 0.000 0.993 358 E HN 0.111 nan 8.360 nan 0.000 0.482 359 A N 1.295 124.122 122.820 0.012 0.000 2.406 359 A HA 0.417 4.737 4.320 -0.000 0.000 0.243 359 A C 0.913 178.500 177.584 0.005 0.000 1.082 359 A CA 0.376 52.418 52.037 0.009 0.000 0.786 359 A CB 0.102 19.108 19.000 0.011 0.000 1.029 359 A HN 0.120 nan 8.150 nan 0.000 0.495 360 G N -0.237 108.565 108.800 0.003 0.000 2.414 360 G HA2 0.387 4.347 3.960 -0.000 0.000 0.236 360 G HA3 0.387 4.347 3.960 -0.000 0.000 0.236 360 G C 0.046 174.943 174.900 -0.005 0.000 1.293 360 G CA -0.324 44.776 45.100 -0.000 0.000 0.869 360 G HN 0.840 nan 8.290 nan 0.000 0.556 361 L N 1.502 122.719 121.223 -0.011 0.000 2.485 361 L HA 0.356 4.695 4.340 -0.000 0.000 0.275 361 L C 0.753 177.614 176.870 -0.016 0.000 1.207 361 L CA 0.798 55.624 54.840 -0.023 0.000 0.855 361 L CB 0.790 42.829 42.059 -0.033 0.000 1.114 361 L HN 0.479 nan 8.230 nan 0.000 0.485 362 T N 4.006 118.549 114.554 -0.018 0.000 2.893 362 T HA 0.205 4.555 4.350 -0.000 0.000 0.291 362 T C 0.845 175.538 174.700 -0.012 0.000 1.028 362 T CA -0.230 61.864 62.100 -0.009 0.000 0.995 362 T CB 1.620 70.488 68.868 0.001 0.000 1.051 362 T HN 0.720 nan 8.240 nan 0.000 0.470 363 N N 1.807 120.502 118.700 -0.008 0.000 2.037 363 N HA -0.178 4.561 4.740 -0.000 0.000 0.196 363 N C 1.227 176.736 175.510 -0.002 0.000 1.034 363 N CA 2.100 55.145 53.050 -0.007 0.000 0.861 363 N CB -0.051 38.434 38.487 -0.004 0.000 1.039 363 N HN 0.526 nan 8.380 nan 0.000 0.427 364 D N -0.403 120.001 120.400 0.006 0.000 2.149 364 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 364 D C 1.708 178.026 176.300 0.029 0.000 0.990 364 D CA 0.873 54.883 54.000 0.016 0.000 0.839 364 D CB -0.304 40.507 40.800 0.018 0.000 0.948 364 D HN 0.407 nan 8.370 nan 0.000 0.460 365 E N 0.001 120.221 120.200 0.033 0.000 2.152 365 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 365 E C 2.033 178.678 176.600 0.076 0.000 0.983 365 E CA 0.418 56.863 56.400 0.075 0.000 0.818 365 E CB -0.140 29.587 29.700 0.045 0.000 0.758 365 E HN 0.306 nan 8.360 nan 0.000 0.467 366 I N -0.589 119.971 120.570 -0.017 0.000 2.179 366 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 366 I C 2.066 178.139 176.117 -0.074 0.000 1.088 366 I CA 0.701 61.955 61.300 -0.075 0.000 1.357 366 I CB -0.205 37.742 38.000 -0.088 0.000 1.051 366 I HN 0.024 nan 8.210 nan 0.000 0.409 367 V N 0.643 120.533 119.914 -0.040 0.000 2.332 367 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 367 V C 2.585 178.670 176.094 -0.014 0.000 1.055 367 V CA 1.864 64.140 62.300 -0.040 0.000 1.038 367 V CB -0.787 31.031 31.823 -0.007 0.000 0.651 367 V HN 0.365 nan 8.190 nan 0.000 0.450 368 R N -1.118 119.403 120.500 0.036 0.000 2.081 368 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 368 R C 2.352 178.651 176.300 -0.002 0.000 1.131 368 R CA 1.800 57.917 56.100 0.029 0.000 0.960 368 R CB -0.257 30.077 30.300 0.056 0.000 0.856 368 R HN 0.619 nan 8.270 nan 0.000 0.436 369 H N -0.382 118.650 119.070 -0.063 0.000 2.363 369 H HA -0.012 4.544 4.556 -0.000 0.000 0.301 369 H C 1.880 177.149 175.328 -0.098 0.000 1.074 369 H CA 1.713 57.728 56.048 -0.055 0.000 1.354 369 H CB -0.001 29.742 29.762 -0.033 0.000 1.397 369 H HN 0.143 nan 8.280 nan 0.000 0.516 370 I N 0.028 120.539 120.570 -0.100 0.000 2.252 370 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 370 I C 2.160 178.228 176.117 -0.082 0.000 1.102 370 I CA 1.201 62.375 61.300 -0.209 0.000 1.385 370 I CB -0.334 37.415 38.000 -0.418 0.000 1.064 370 I HN 0.340 nan 8.210 nan 0.000 0.414 371 N N 0.732 119.395 118.700 -0.061 0.000 2.104 371 N HA -0.207 4.533 4.740 -0.000 0.000 0.190 371 N C 1.890 177.384 175.510 -0.027 0.000 1.024 371 N CA 1.213 54.242 53.050 -0.035 0.000 0.853 371 N CB -0.024 38.449 38.487 -0.024 0.000 1.008 371 N HN 0.345 nan 8.380 nan 0.000 0.424 372 A N 0.522 123.321 122.820 -0.036 0.000 2.067 372 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 372 A C 2.067 179.647 177.584 -0.006 0.000 1.158 372 A CA 0.648 52.664 52.037 -0.034 0.000 0.661 372 A CB -0.413 18.544 19.000 -0.071 0.000 0.801 372 A HN 0.338 nan 8.150 nan 0.000 0.452 373 L N -0.286 120.946 121.223 0.014 0.000 2.156 373 L HA 0.042 4.381 4.340 -0.000 0.000 0.208 373 L C 0.320 177.207 176.870 0.028 0.000 1.095 373 L CA 0.235 55.103 54.840 0.046 0.000 0.770 373 L CB -0.277 41.842 42.059 0.100 0.000 0.914 373 L HN 0.321 nan 8.230 nan 0.000 0.439 374 L N 0.721 121.949 121.223 0.009 0.000 2.513 374 L HA 0.031 4.370 4.340 -0.000 0.000 0.272 374 L C 0.540 177.405 176.870 -0.008 0.000 1.187 374 L CA 0.074 54.914 54.840 -0.002 0.000 0.895 374 L CB 0.202 42.253 42.059 -0.013 0.000 1.147 374 L HN 0.224 nan 8.230 nan 0.000 0.483 375 T N -2.164 112.382 114.554 -0.013 0.000 2.910 375 T HA 0.252 4.602 4.350 -0.000 0.000 0.287 375 T C 0.990 175.672 174.700 -0.030 0.000 1.050 375 T CA -0.172 61.917 62.100 -0.019 0.000 1.011 375 T CB 1.604 70.464 68.868 -0.013 0.000 1.195 375 T HN 0.550 nan 8.240 nan 0.000 0.540 376 S N 0.024 115.704 115.700 -0.032 0.000 2.469 376 S HA -0.122 4.348 4.470 -0.000 0.000 0.238 376 S C 1.318 175.892 174.600 -0.044 0.000 0.998 376 S CA 1.228 59.404 58.200 -0.040 0.000 0.957 376 S CB -0.787 62.390 63.200 -0.038 0.000 0.764 376 S HN 0.761 nan 8.310 nan 0.000 0.514 377 N N 1.113 119.788 118.700 -0.041 0.000 2.268 377 N HA 0.168 4.908 4.740 -0.000 0.000 0.204 377 N C -0.750 174.713 175.510 -0.077 0.000 1.124 377 N CA 0.051 53.071 53.050 -0.050 0.000 0.838 377 N CB 0.250 38.717 38.487 -0.034 0.000 0.994 377 N HN 0.305 nan 8.380 nan 0.000 0.489 378 T N -0.379 114.130 114.554 -0.075 0.000 2.875 378 T HA 0.338 4.688 4.350 -0.000 0.000 0.284 378 T C -0.336 174.284 174.700 -0.134 0.000 0.995 378 T CA -0.205 61.837 62.100 -0.097 0.000 1.060 378 T CB 1.552 70.394 68.868 -0.045 0.000 0.967 378 T HN -0.079 nan 8.240 nan 0.000 0.476 379 T N 3.651 118.073 114.554 -0.221 0.000 2.791 379 T HA 0.445 4.795 4.350 -0.000 0.000 0.288 379 T C -0.616 174.047 174.700 -0.061 0.000 0.999 379 T CA -0.565 61.431 62.100 -0.174 0.000 0.952 379 T CB 0.527 69.209 68.868 -0.310 0.000 0.938 379 T HN 0.355 nan 8.240 nan 0.000 0.444 380 L N 4.902 126.128 121.223 0.005 0.000 2.272 380 L HA 0.607 4.946 4.340 -0.000 0.000 0.289 380 L C -0.852 176.074 176.870 0.093 0.000 1.032 380 L CA -0.711 54.161 54.840 0.053 0.000 0.810 380 L CB 1.028 43.108 42.059 0.036 0.000 1.205 380 L HN 0.378 nan 8.230 nan 0.000 0.422 381 V N 4.634 124.620 119.914 0.119 0.000 2.370 381 V HA 0.533 4.653 4.120 -0.000 0.000 0.283 381 V C 0.297 176.506 176.094 0.192 0.000 1.023 381 V CA -0.540 61.849 62.300 0.149 0.000 0.857 381 V CB 1.343 33.185 31.823 0.031 0.000 0.985 381 V HN 0.847 nan 8.190 nan 0.000 0.443 382 A N 3.779 126.775 122.820 0.293 0.000 2.291 382 A HA 0.732 5.052 4.320 -0.000 0.000 0.311 382 A C -0.267 177.573 177.584 0.426 0.000 1.224 382 A CA -0.549 51.659 52.037 0.286 0.000 0.821 382 A CB 1.015 20.144 19.000 0.215 0.000 1.172 382 A HN 0.808 nan 8.150 nan 0.000 0.494 383 E N 1.668 122.048 120.200 0.299 0.000 2.392 383 E HA 0.359 4.709 4.350 -0.000 0.000 0.259 383 E C 0.123 176.681 176.600 -0.071 0.000 1.108 383 E CA 0.151 56.701 56.400 0.250 0.000 0.916 383 E CB 0.515 30.301 29.700 0.145 0.000 0.989 383 E HN 0.560 nan 8.360 nan 0.000 0.432 384 T N 2.471 116.856 114.554 -0.281 0.000 2.934 384 T HA 0.492 4.842 4.350 -0.000 0.000 0.306 384 T C 0.319 174.576 174.700 -0.739 0.000 1.042 384 T CA 0.702 62.159 62.100 -1.072 0.000 1.145 384 T CB 0.107 68.561 68.868 -0.692 0.000 0.982 384 T HN 0.758 nan 8.240 nan 0.000 0.544 385 G N 2.819 111.094 108.800 -0.875 0.000 2.298 385 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.309 385 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.309 385 G C 0.219 175.044 174.900 -0.125 0.000 1.279 385 G CA -0.085 44.804 45.100 -0.352 0.000 1.042 385 G HN 0.543 nan 8.290 nan 0.000 0.480 386 D N -0.070 120.343 120.400 0.023 0.000 2.309 386 D HA 0.020 4.660 4.640 -0.000 0.000 0.212 386 D C 2.456 178.869 176.300 0.189 0.000 0.968 386 D CA 1.814 55.917 54.000 0.170 0.000 0.882 386 D CB -0.081 40.758 40.800 0.065 0.000 0.918 386 D HN 0.291 nan 8.370 nan 0.000 0.503 387 S N -0.502 115.247 115.700 0.081 0.000 2.419 387 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 387 S C 1.480 176.183 174.600 0.172 0.000 1.016 387 S CA 0.392 58.651 58.200 0.099 0.000 0.974 387 S CB -0.269 62.974 63.200 0.071 0.000 0.786 387 S HN 0.450 nan 8.310 nan 0.000 0.492 388 W N 1.315 122.566 121.300 -0.081 0.000 2.321 388 W HA -0.036 4.624 4.660 -0.000 0.000 0.306 388 W C 1.752 178.076 176.519 -0.325 0.000 1.217 388 W CA 0.353 57.519 57.345 -0.298 0.000 1.257 388 W CB -1.285 27.817 29.460 -0.598 0.000 1.145 388 W HN 0.331 nan 8.180 nan 0.000 0.509 389 F N 0.603 120.667 119.950 0.190 0.000 2.234 389 F HA -0.112 4.414 4.527 -0.000 0.000 0.296 389 F C 2.120 177.962 175.800 0.069 0.000 1.089 389 F CA 1.620 59.683 58.000 0.104 0.000 1.343 389 F CB -1.055 37.957 39.000 0.021 0.000 1.040 389 F HN -0.007 nan 8.300 nan 0.000 0.498 390 N N 0.461 119.286 118.700 0.209 0.000 2.467 390 N HA 0.063 4.803 4.740 -0.000 0.000 0.184 390 N C 1.784 177.334 175.510 0.068 0.000 1.106 390 N CA 0.711 53.830 53.050 0.115 0.000 0.892 390 N CB -0.125 38.406 38.487 0.073 0.000 0.969 390 N HN 0.238 nan 8.380 nan 0.000 0.454 391 A N 1.962 124.820 122.820 0.064 0.000 1.902 391 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 391 A C 2.300 179.887 177.584 0.007 0.000 1.181 391 A CA 1.082 53.133 52.037 0.023 0.000 0.623 391 A CB -0.278 18.730 19.000 0.014 0.000 0.818 391 A HN 0.099 nan 8.150 nan 0.000 0.443 392 M N -0.370 119.239 119.600 0.015 0.000 2.279 392 M HA -0.060 4.420 4.480 -0.000 0.000 0.264 392 M C 1.751 178.095 176.300 0.073 0.000 1.062 392 M CA 1.195 56.515 55.300 0.033 0.000 1.099 392 M CB -1.187 31.469 32.600 0.092 0.000 1.394 392 M HN 0.362 nan 8.290 nan 0.000 0.426 393 R N -1.082 119.465 120.500 0.078 0.000 2.310 393 R HA 0.255 4.595 4.340 -0.000 0.000 0.202 393 R C 0.146 176.479 176.300 0.054 0.000 0.933 393 R CA -0.054 56.091 56.100 0.075 0.000 1.054 393 R CB -0.001 30.345 30.300 0.076 0.000 0.985 393 R HN 0.294 nan 8.270 nan 0.000 0.489 394 M N 0.314 119.938 119.600 0.041 0.000 2.318 394 M HA 0.164 4.644 4.480 -0.000 0.000 0.347 394 M C -0.289 176.032 176.300 0.034 0.000 1.175 394 M CA -0.056 55.259 55.300 0.025 0.000 1.075 394 M CB 2.112 34.714 32.600 0.003 0.000 1.614 394 M HN -0.135 nan 8.290 nan 0.000 0.456 395 T N 4.981 119.553 114.554 0.030 0.000 2.723 395 T HA 0.486 4.836 4.350 -0.000 0.000 0.297 395 T C -0.553 174.144 174.700 -0.005 0.000 0.925 395 T CA -0.711 61.407 62.100 0.030 0.000 1.030 395 T CB -0.405 68.486 68.868 0.039 0.000 0.905 395 T HN 0.442 nan 8.240 nan 0.000 0.502 396 L N 3.266 124.469 121.223 -0.033 0.000 2.295 396 L HA 0.702 5.042 4.340 -0.000 0.000 0.285 396 L C -2.462 174.367 176.870 -0.067 0.000 1.035 396 L CA -2.453 52.357 54.840 -0.050 0.000 0.806 396 L CB -0.068 41.957 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 -0.542 176.715 177.300 -0.072 0.000 1.215 397 P CA -0.436 62.632 63.100 -0.054 0.000 0.780 397 P CB 0.577 32.254 31.700 -0.039 0.000 0.898 398 R N 0.900 121.353 120.500 -0.078 0.000 2.502 398 R HA 0.208 4.548 4.340 -0.000 0.000 0.292 398 R C 1.250 177.506 176.300 -0.074 0.000 0.998 398 R CA 1.459 57.504 56.100 -0.091 0.000 1.056 398 R CB -0.809 29.438 30.300 -0.088 0.000 0.939 398 R HN 0.861 nan 8.270 nan 0.000 0.411 399 G N 2.169 110.923 108.800 -0.075 0.000 2.279 399 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.223 399 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.223 399 G C 0.066 174.936 174.900 -0.051 0.000 1.015 399 G CA -0.065 45.000 45.100 -0.059 0.000 0.621 399 G HN 0.935 nan 8.290 nan 0.000 0.506 400 A N 0.329 123.118 122.820 -0.053 0.000 2.445 400 A HA 0.722 5.042 4.320 -0.000 0.000 0.242 400 A C 0.551 178.116 177.584 -0.032 0.000 1.075 400 A CA 0.728 52.737 52.037 -0.047 0.000 0.777 400 A CB 0.253 19.225 19.000 -0.047 0.000 1.013 400 A HN 0.584 nan 8.150 nan 0.000 0.493 401 R N 0.522 121.005 120.500 -0.027 0.000 2.514 401 R HA 0.599 4.939 4.340 -0.000 0.000 0.301 401 R C -1.291 175.014 176.300 0.008 0.000 0.962 401 R CA -0.352 55.752 56.100 0.006 0.000 0.882 401 R CB 2.093 32.397 30.300 0.007 0.000 1.143 401 R HN 0.488 nan 8.270 nan 0.000 0.452 402 V N 2.935 122.860 119.914 0.018 0.000 2.555 402 V HA 0.380 4.500 4.120 -0.000 0.000 0.302 402 V C -0.645 175.476 176.094 0.044 0.000 1.038 402 V CA -0.794 61.510 62.300 0.007 0.000 0.887 402 V CB 1.990 33.778 31.823 -0.058 0.000 0.991 402 V HN 0.650 nan 8.190 nan 0.000 0.434 403 E N 5.019 125.289 120.200 0.116 0.000 2.155 403 E HA 0.621 4.971 4.350 -0.000 0.000 0.264 403 E C -1.138 175.628 176.600 0.276 0.000 0.886 403 E CA -0.281 56.253 56.400 0.224 0.000 0.752 403 E CB 2.378 32.273 29.700 0.326 0.000 1.133 403 E HN 0.478 nan 8.360 nan 0.000 0.414 404 L N 1.128 122.391 121.223 0.067 0.000 2.323 404 L HA 0.412 4.752 4.340 -0.000 0.000 0.265 404 L C 0.560 177.209 176.870 -0.367 0.000 1.012 404 L CA -0.552 54.218 54.840 -0.116 0.000 0.820 404 L CB 2.083 43.955 42.059 -0.312 0.000 1.334 404 L HN 0.398 nan 8.230 nan 0.000 0.427 405 E N 2.105 121.962 120.200 -0.572 0.000 3.896 405 E HA 0.218 4.568 4.350 -0.000 0.000 0.217 405 E C 0.268 176.735 176.600 -0.222 0.000 1.150 405 E CA -0.079 55.929 56.400 -0.654 0.000 1.338 405 E CB 0.563 29.334 29.700 -1.548 0.000 1.242 405 E HN 0.669 nan 8.360 nan 0.000 0.435 406 M N 0.337 119.765 119.600 -0.287 0.000 2.558 406 M HA -0.042 4.438 4.480 -0.000 0.000 0.255 406 M C 1.827 178.078 176.300 -0.083 0.000 1.113 406 M CA 0.707 55.797 55.300 -0.350 0.000 1.097 406 M CB 0.187 32.306 32.600 -0.802 0.000 1.426 406 M HN 0.157 nan 8.290 nan 0.000 0.488 407 Q N 0.291 120.073 119.800 -0.031 0.000 2.178 407 Q HA -0.061 4.279 4.340 -0.000 0.000 0.195 407 Q C 1.833 177.947 176.000 0.190 0.000 0.960 407 Q CA 1.399 57.234 55.803 0.053 0.000 0.843 407 Q CB -0.247 28.520 28.738 0.049 0.000 0.927 407 Q HN 0.605 nan 8.270 nan 0.000 0.487 408 W N 0.567 121.854 121.300 -0.022 0.000 2.444 408 W HA 0.068 4.728 4.660 -0.000 0.000 0.308 408 W C 0.583 177.148 176.519 0.076 0.000 1.183 408 W CA 1.467 58.833 57.345 0.033 0.000 1.340 408 W CB -0.044 29.447 29.460 0.052 0.000 1.138 408 W HN 0.388 nan 8.180 nan 0.000 0.510 409 G N 1.167 110.076 108.800 0.183 0.000 2.295 409 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.287 409 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.287 409 G C -0.176 174.724 174.900 0.001 0.000 1.055 409 G CA 0.359 45.552 45.100 0.155 0.000 0.922 409 G HN 0.574 nan 8.290 nan 0.000 0.503 410 H N 0.869 119.908 119.070 -0.051 0.000 2.846 410 H HA 0.370 4.926 4.556 -0.000 0.000 0.278 410 H C 1.475 176.807 175.328 0.007 0.000 1.117 410 H CA -0.180 55.856 56.048 -0.020 0.000 1.406 410 H CB -0.014 29.893 29.762 0.243 0.000 1.445 410 H HN 0.643 nan 8.280 nan 0.000 0.469 411 I N 1.349 121.878 120.570 -0.069 0.000 2.815 411 I HA 0.165 4.335 4.170 -0.000 0.000 0.291 411 I C 1.211 177.425 176.117 0.162 0.000 1.209 411 I CA 0.984 62.278 61.300 -0.011 0.000 1.431 411 I CB 0.462 38.367 38.000 -0.158 0.000 1.351 411 I HN 0.749 nan 8.210 nan 0.000 0.585 412 G N 4.633 113.522 108.800 0.148 0.000 2.258 412 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.233 412 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.233 412 G C 0.445 175.378 174.900 0.055 0.000 1.006 412 G CA 0.499 45.678 45.100 0.132 0.000 0.620 412 G HN 1.106 nan 8.290 nan 0.000 0.511 413 W N 1.993 123.171 121.300 -0.203 0.000 2.305 413 W HA -0.074 4.585 4.660 -0.000 0.000 0.308 413 W C 2.406 178.776 176.519 -0.248 0.000 1.226 413 W CA 2.898 59.898 57.345 -0.576 0.000 1.253 413 W CB -0.696 28.435 29.460 -0.549 0.000 1.146 413 W HN 0.385 nan 8.180 nan 0.000 0.507 414 S N 0.081 115.684 115.700 -0.163 0.000 2.393 414 S HA -0.328 4.142 4.470 -0.000 0.000 0.235 414 S C 1.704 176.068 174.600 -0.392 0.000 1.061 414 S CA 2.794 60.779 58.200 -0.358 0.000 1.129 414 S CB -0.941 62.271 63.200 0.020 0.000 1.011 414 S HN 0.207 nan 8.310 nan 0.000 0.436 415 V N 3.217 123.019 119.914 -0.187 0.000 2.239 415 V HA -0.058 4.062 4.120 -0.000 0.000 0.242 415 V C -0.611 175.416 176.094 -0.111 0.000 1.038 415 V CA 1.820 64.066 62.300 -0.090 0.000 1.002 415 V CB -1.816 29.984 31.823 -0.039 0.000 0.641 415 V HN 0.453 nan 8.190 nan 0.000 0.449 416 P HA -0.130 nan 4.420 nan 0.000 0.218 416 P C 2.002 179.256 177.300 -0.077 0.000 1.149 416 P CA 1.869 64.953 63.100 -0.026 0.000 0.817 416 P CB -0.046 31.677 31.700 0.038 0.000 0.785 417 S N -0.074 115.416 115.700 -0.349 0.000 2.356 417 S HA -0.150 4.320 4.470 -0.000 0.000 0.223 417 S C 2.097 176.511 174.600 -0.309 0.000 1.032 417 S CA 1.470 59.388 58.200 -0.470 0.000 1.005 417 S CB -0.993 61.434 63.200 -1.288 0.000 0.867 417 S HN 0.138 nan 8.310 nan 0.000 0.449 418 A N 0.529 123.174 122.820 -0.293 0.000 1.933 418 A HA -0.008 4.311 4.320 -0.000 0.000 0.218 418 A C 1.949 179.483 177.584 -0.083 0.000 1.175 418 A CA 1.618 53.575 52.037 -0.134 0.000 0.628 418 A CB -1.002 17.956 19.000 -0.069 0.000 0.814 418 A HN 0.687 nan 8.150 nan 0.000 0.444 419 F N 1.227 121.082 119.950 -0.159 0.000 2.075 419 F HA -0.036 4.491 4.527 -0.000 0.000 0.297 419 F C 2.278 178.023 175.800 -0.091 0.000 1.113 419 F CA 1.671 59.606 58.000 -0.109 0.000 1.218 419 F CB -0.899 38.060 39.000 -0.068 0.000 0.984 419 F HN 0.175 nan 8.300 nan 0.000 0.472 420 G N 0.332 108.944 108.800 -0.314 0.000 2.421 420 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.216 420 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.216 420 G C 1.692 176.513 174.900 -0.131 0.000 1.171 420 G CA 0.856 45.770 45.100 -0.309 0.000 0.775 420 G HN 0.432 nan 8.290 nan 0.000 0.543 421 N N 1.434 120.041 118.700 -0.155 0.000 2.104 421 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 421 N C 2.514 177.853 175.510 -0.285 0.000 1.024 421 N CA 1.538 54.511 53.050 -0.129 0.000 0.853 421 N CB -0.340 38.137 38.487 -0.017 0.000 1.008 421 N HN 0.254 nan 8.380 nan 0.000 0.424 422 A N 1.322 123.796 122.820 -0.577 0.000 1.877 422 A HA -0.103 4.216 4.320 -0.000 0.000 0.216 422 A C 2.336 179.666 177.584 -0.423 0.000 1.186 422 A CA 1.235 52.764 52.037 -0.847 0.000 0.620 422 A CB -0.492 18.092 19.000 -0.693 0.000 0.822 422 A HN 0.259 nan 8.150 nan 0.000 0.443 423 M N -0.511 118.843 119.600 -0.411 0.000 2.144 423 M HA -0.168 4.312 4.480 -0.000 0.000 0.260 423 M C 2.075 178.175 176.300 -0.333 0.000 1.067 423 M CA 1.687 56.731 55.300 -0.426 0.000 1.095 423 M CB -1.425 30.874 32.600 -0.503 0.000 1.365 423 M HN 0.508 nan 8.290 nan 0.000 0.406 424 G N -0.906 107.711 108.800 -0.304 0.000 2.985 424 G HA2 0.040 4.000 3.960 -0.000 0.000 0.209 424 G HA3 0.040 4.000 3.960 -0.000 0.000 0.209 424 G C 0.390 175.133 174.900 -0.262 0.000 1.165 424 G CA 0.631 45.409 45.100 -0.536 0.000 0.776 424 G HN 0.549 nan 8.290 nan 0.000 0.541 425 S N -0.777 114.847 115.700 -0.125 0.000 2.605 425 S HA 0.245 4.714 4.470 -0.000 0.000 0.142 425 S C 0.454 175.106 174.600 0.085 0.000 1.452 425 S CA -0.594 57.609 58.200 0.005 0.000 1.240 425 S CB 0.485 63.723 63.200 0.064 0.000 1.538 425 S HN 0.241 nan 8.310 nan 0.000 0.394 426 Q N 1.619 121.429 119.800 0.018 0.000 2.437 426 Q HA -0.089 4.251 4.340 -0.000 0.000 0.210 426 Q C 1.353 177.390 176.000 0.062 0.000 0.972 426 Q CA 1.383 57.203 55.803 0.028 0.000 0.903 426 Q CB -0.121 28.618 28.738 0.003 0.000 0.967 426 Q HN 0.878 nan 8.270 nan 0.000 0.486 427 D N 0.167 120.599 120.400 0.054 0.000 2.323 427 D HA -0.073 4.567 4.640 -0.000 0.000 0.209 427 D C 0.455 176.777 176.300 0.037 0.000 0.973 427 D CA 0.285 54.308 54.000 0.037 0.000 0.874 427 D CB 0.167 40.977 40.800 0.018 0.000 0.930 427 D HN 0.095 nan 8.370 nan 0.000 0.521 428 R N 0.115 120.649 120.500 0.056 0.000 2.549 428 R HA 0.383 4.723 4.340 -0.000 0.000 0.267 428 R C -0.296 176.006 176.300 0.005 0.000 1.045 428 R CA -0.681 55.407 56.100 -0.021 0.000 1.115 428 R CB 0.721 30.937 30.300 -0.141 0.000 1.121 428 R HN -0.064 nan 8.270 nan 0.000 0.543 429 Q N 1.152 120.912 119.800 -0.066 0.000 2.279 429 Q HA 0.187 4.527 4.340 -0.000 0.000 0.256 429 Q C -1.191 174.733 176.000 -0.125 0.000 0.937 429 Q CA 0.170 55.965 55.803 -0.013 0.000 0.933 429 Q CB 1.007 29.747 28.738 0.003 0.000 1.189 429 Q HN 0.375 nan 8.270 nan 0.000 0.417 430 H N 0.335 119.427 119.070 0.037 0.000 2.476 430 H HA 0.564 5.120 4.556 -0.000 0.000 0.328 430 H C -0.944 174.425 175.328 0.068 0.000 1.073 430 H CA -0.513 55.560 56.048 0.042 0.000 1.229 430 H CB 0.987 30.765 29.762 0.028 0.000 1.432 430 H HN 0.280 nan 8.280 nan 0.000 0.477 431 V N 4.796 124.805 119.914 0.158 0.000 2.540 431 V HA 0.358 4.477 4.120 -0.000 0.000 0.302 431 V C -0.515 175.694 176.094 0.191 0.000 1.035 431 V CA -0.791 61.625 62.300 0.194 0.000 0.873 431 V CB 1.986 33.936 31.823 0.211 0.000 0.992 431 V HN 0.478 nan 8.190 nan 0.000 0.428 432 V N 5.611 125.654 119.914 0.215 0.000 2.555 432 V HA 0.536 4.656 4.120 -0.000 0.000 0.302 432 V C -0.181 176.056 176.094 0.238 0.000 1.038 432 V CA -0.514 61.893 62.300 0.179 0.000 0.887 432 V CB 1.900 33.799 31.823 0.126 0.000 0.991 432 V HN 0.830 nan 8.190 nan 0.000 0.434 433 M N 5.105 124.816 119.600 0.184 0.000 2.114 433 M HA 0.640 5.120 4.480 -0.000 0.000 0.332 433 M C -1.105 175.271 176.300 0.128 0.000 1.014 433 M CA -0.565 54.832 55.300 0.163 0.000 0.956 433 M CB 1.880 34.547 32.600 0.112 0.000 1.551 433 M HN 0.460 nan 8.290 nan 0.000 0.427 434 V N 2.930 122.905 119.914 0.101 0.000 2.733 434 V HA 0.819 4.939 4.120 -0.000 0.000 0.306 434 V C -0.102 175.999 176.094 0.011 0.000 1.084 434 V CA -0.298 62.051 62.300 0.082 0.000 0.905 434 V CB 2.206 34.119 31.823 0.150 0.000 1.010 434 V HN 0.928 nan 8.190 nan 0.000 0.424 435 G N 3.475 112.276 108.800 0.001 0.000 2.572 435 G HA2 0.286 4.246 3.960 -0.000 0.000 0.261 435 G HA3 0.286 4.246 3.960 -0.000 0.000 0.261 435 G C 0.686 175.536 174.900 -0.082 0.000 1.197 435 G CA 0.426 45.498 45.100 -0.046 0.000 0.870 435 G HN 0.939 nan 8.290 nan 0.000 0.548 436 D N 0.146 120.444 120.400 -0.170 0.000 2.144 436 D HA -0.101 4.539 4.640 -0.000 0.000 0.200 436 D C 2.195 178.454 176.300 -0.068 0.000 0.978 436 D CA 1.375 55.201 54.000 -0.290 0.000 0.833 436 D CB -0.926 39.674 40.800 -0.334 0.000 0.961 436 D HN 0.473 nan 8.370 nan 0.000 0.470 437 G N 0.334 109.161 108.800 0.044 0.000 2.418 437 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 437 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 437 G C 1.857 176.853 174.900 0.160 0.000 1.158 437 G CA 1.123 46.355 45.100 0.220 0.000 0.771 437 G HN 0.364 nan 8.290 nan 0.000 0.545 438 S N 0.319 116.071 115.700 0.088 0.000 2.368 438 S HA -0.074 4.396 4.470 -0.000 0.000 0.224 438 S C 1.890 176.554 174.600 0.107 0.000 1.029 438 S CA 0.895 59.133 58.200 0.064 0.000 0.988 438 S CB -0.380 62.848 63.200 0.047 0.000 0.838 438 S HN 0.370 nan 8.310 nan 0.000 0.462 439 F N 2.589 122.523 119.950 -0.027 0.000 2.161 439 F HA -0.159 4.368 4.527 -0.000 0.000 0.300 439 F C 2.358 178.188 175.800 0.051 0.000 1.089 439 F CA 1.422 59.428 58.000 0.010 0.000 1.282 439 F CB -0.392 38.586 39.000 -0.036 0.000 1.010 439 F HN 0.203 nan 8.300 nan 0.000 0.485 440 Q N -0.329 119.469 119.800 -0.004 0.000 2.226 440 Q HA -0.180 4.159 4.340 -0.000 0.000 0.204 440 Q C 2.100 178.147 176.000 0.078 0.000 0.975 440 Q CA 1.292 57.026 55.803 -0.116 0.000 0.866 440 Q CB -0.251 28.300 28.738 -0.311 0.000 0.915 440 Q HN 0.411 nan 8.270 nan 0.000 0.440 441 L N -0.194 121.065 121.223 0.060 0.000 2.093 441 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 441 L C 2.043 178.968 176.870 0.093 0.000 1.085 441 L CA 1.790 56.695 54.840 0.108 0.000 0.755 441 L CB -0.074 42.064 42.059 0.133 0.000 0.904 441 L HN 0.290 nan 8.230 nan 0.000 0.435 442 T N -5.875 108.676 114.554 -0.005 0.000 3.209 442 T HA 0.366 4.716 4.350 -0.000 0.000 0.295 442 T C 1.547 176.133 174.700 -0.190 0.000 0.977 442 T CA 0.225 62.301 62.100 -0.040 0.000 0.922 442 T CB 0.124 68.987 68.868 -0.008 0.000 1.152 442 T HN 0.060 nan 8.240 nan 0.000 0.527 443 A N 3.061 125.690 122.820 -0.318 0.000 1.940 443 A HA -0.269 4.051 4.320 -0.000 0.000 0.221 443 A C 2.466 179.947 177.584 -0.172 0.000 1.190 443 A CA 2.146 53.849 52.037 -0.556 0.000 0.647 443 A CB -0.774 18.106 19.000 -0.201 0.000 0.821 443 A HN 0.731 nan 8.150 nan 0.000 0.457 444 Q N -0.697 119.060 119.800 -0.072 0.000 2.368 444 Q HA -0.212 4.128 4.340 -0.000 0.000 0.210 444 Q C 1.236 176.983 176.000 -0.421 0.000 0.982 444 Q CA 1.853 57.535 55.803 -0.202 0.000 0.884 444 Q CB -0.423 28.267 28.738 -0.081 0.000 0.933 444 Q HN 0.637 nan 8.270 nan 0.000 0.460 445 E N 0.708 120.723 120.200 -0.308 0.000 2.427 445 E HA 0.005 4.355 4.350 -0.000 0.000 0.196 445 E C 1.753 178.114 176.600 -0.398 0.000 1.028 445 E CA 0.219 56.401 56.400 -0.363 0.000 0.864 445 E CB 0.062 29.601 29.700 -0.268 0.000 0.813 445 E HN 0.220 nan 8.360 nan 0.000 0.514 446 V N 0.255 119.989 119.914 -0.300 0.000 2.594 446 V HA -0.242 3.878 4.120 -0.000 0.000 0.253 446 V C 2.177 178.087 176.094 -0.307 0.000 1.069 446 V CA 1.571 63.787 62.300 -0.141 0.000 1.082 446 V CB -0.688 31.261 31.823 0.209 0.000 0.680 446 V HN 0.375 nan 8.190 nan 0.000 0.469 447 A N -0.660 121.708 122.820 -0.754 0.000 1.969 447 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 447 A C 2.202 179.586 177.584 -0.333 0.000 1.169 447 A CA 1.268 52.908 52.037 -0.662 0.000 0.635 447 A CB -0.307 18.130 19.000 -0.940 0.000 0.810 447 A HN 0.510 nan 8.150 nan 0.000 0.445 448 Q N -0.452 119.112 119.800 -0.393 0.000 2.079 448 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 448 Q C 2.117 178.087 176.000 -0.050 0.000 0.974 448 Q CA 1.533 57.141 55.803 -0.324 0.000 0.840 448 Q CB -0.578 27.666 28.738 -0.824 0.000 0.898 448 Q HN 0.783 nan 8.270 nan 0.000 0.430 449 M N -0.177 119.374 119.600 -0.081 0.000 2.108 449 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 449 M C 2.228 178.623 176.300 0.159 0.000 1.066 449 M CA 1.155 56.578 55.300 0.204 0.000 1.107 449 M CB -0.386 32.311 32.600 0.162 0.000 1.356 449 M HN -0.026 nan 8.290 nan 0.000 0.406 450 V N 0.131 120.084 119.914 0.065 0.000 2.261 450 V HA -0.282 3.837 4.120 -0.000 0.000 0.246 450 V C 2.412 178.525 176.094 0.032 0.000 1.047 450 V CA 2.107 64.448 62.300 0.068 0.000 1.015 450 V CB -0.830 31.030 31.823 0.062 0.000 0.642 450 V HN 0.476 nan 8.190 nan 0.000 0.446 451 R N -0.642 119.822 120.500 -0.060 0.000 2.096 451 R HA -0.221 4.119 4.340 -0.000 0.000 0.240 451 R C 1.981 178.131 176.300 -0.249 0.000 1.139 451 R CA 2.265 58.237 56.100 -0.213 0.000 0.952 451 R CB -0.296 29.768 30.300 -0.394 0.000 0.854 451 R HN 0.565 nan 8.270 nan 0.000 0.436 452 Y N 0.852 121.227 120.300 0.124 0.000 2.470 452 Y HA 0.193 4.743 4.550 -0.000 0.000 0.284 452 Y C -0.173 175.792 175.900 0.108 0.000 1.188 452 Y CA 0.100 58.278 58.100 0.129 0.000 1.269 452 Y CB 0.219 38.791 38.460 0.187 0.000 1.094 452 Y HN 0.181 nan 8.280 nan 0.000 0.518 453 E N 0.251 120.571 120.200 0.199 0.000 2.320 453 E HA -0.231 4.119 4.350 -0.000 0.000 0.234 453 E C -0.940 175.747 176.600 0.145 0.000 1.183 453 E CA 0.167 56.661 56.400 0.157 0.000 0.713 453 E CB -1.873 27.904 29.700 0.128 0.000 1.226 453 E HN 0.431 nan 8.360 nan 0.000 0.382 454 L N 1.522 122.845 121.223 0.166 0.000 2.257 454 L HA 0.294 4.634 4.340 -0.000 0.000 0.290 454 L C -1.565 175.369 176.870 0.108 0.000 1.044 454 L CA -1.985 52.930 54.840 0.125 0.000 0.810 454 L CB 0.588 42.730 42.059 0.138 0.000 1.193 454 L HN -0.109 nan 8.230 nan 0.000 0.425 455 P HA 0.069 nan 4.420 nan 0.000 0.226 455 P C -0.221 177.134 177.300 0.092 0.000 1.783 455 P CA -0.067 63.082 63.100 0.083 0.000 0.980 455 P CB 0.056 31.797 31.700 0.069 0.000 1.967 456 V N 2.922 122.894 119.914 0.096 0.000 2.530 456 V HA 0.148 4.268 4.120 -0.000 0.000 0.282 456 V C 1.050 177.185 176.094 0.068 0.000 1.048 456 V CA -0.327 62.038 62.300 0.107 0.000 0.997 456 V CB 0.931 32.818 31.823 0.107 0.000 0.987 456 V HN 0.210 nan 8.190 nan 0.000 0.477 457 I N 6.152 126.756 120.570 0.057 0.000 2.304 457 I HA 0.380 4.550 4.170 -0.000 0.000 0.291 457 I C -0.249 175.825 176.117 -0.072 0.000 1.018 457 I CA 0.034 61.303 61.300 -0.051 0.000 1.260 457 I CB 0.848 38.808 38.000 -0.066 0.000 1.390 457 I HN 0.434 nan 8.210 nan 0.000 0.475 458 I N 6.711 127.194 120.570 -0.145 0.000 2.330 458 I HA 0.258 4.427 4.170 -0.000 0.000 0.289 458 I C -0.657 175.316 176.117 -0.240 0.000 1.001 458 I CA -0.366 60.889 61.300 -0.076 0.000 1.193 458 I CB 0.718 38.726 38.000 0.013 0.000 1.345 458 I HN 0.350 nan 8.210 nan 0.000 0.461 459 F N 6.890 126.838 119.950 -0.003 0.000 2.368 459 F HA 0.231 4.758 4.527 -0.000 0.000 0.362 459 F C 0.174 175.924 175.800 -0.084 0.000 1.137 459 F CA -0.398 57.582 58.000 -0.034 0.000 1.161 459 F CB 0.656 39.650 39.000 -0.010 0.000 1.265 459 F HN 0.297 nan 8.300 nan 0.000 0.530 460 L N 6.274 127.468 121.223 -0.050 0.000 2.261 460 L HA 0.342 4.682 4.340 -0.000 0.000 0.289 460 L C -0.478 176.297 176.870 -0.159 0.000 1.059 460 L CA -0.334 54.380 54.840 -0.211 0.000 0.816 460 L CB 0.348 42.127 42.059 -0.467 0.000 1.191 460 L HN 0.364 nan 8.230 nan 0.000 0.431 461 I N 5.213 125.711 120.570 -0.122 0.000 2.260 461 I HA 0.096 4.266 4.170 -0.000 0.000 0.297 461 I C 0.511 176.540 176.117 -0.147 0.000 1.143 461 I CA -0.185 61.063 61.300 -0.086 0.000 1.271 461 I CB -0.358 37.620 38.000 -0.036 0.000 1.461 461 I HN 0.525 nan 8.210 nan 0.000 0.530 462 N N 5.964 124.571 118.700 -0.154 0.000 2.555 462 N HA 0.044 4.784 4.740 -0.000 0.000 0.244 462 N C 0.542 176.024 175.510 -0.047 0.000 1.114 462 N CA -0.118 52.848 53.050 -0.139 0.000 0.963 462 N CB 0.184 38.617 38.487 -0.090 0.000 1.276 462 N HN 0.448 nan 8.380 nan 0.000 0.510 463 N N 2.225 120.899 118.700 -0.043 0.000 2.204 463 N HA 0.109 4.849 4.740 -0.000 0.000 0.219 463 N C -0.508 175.001 175.510 -0.002 0.000 1.151 463 N CA -0.277 52.764 53.050 -0.016 0.000 0.867 463 N CB 0.265 38.741 38.487 -0.019 0.000 1.043 463 N HN 0.218 nan 8.380 nan 0.000 0.516 464 R N -0.480 120.022 120.500 0.003 0.000 3.418 464 R HA -0.060 4.280 4.340 -0.000 0.000 0.274 464 R C 0.281 176.569 176.300 -0.021 0.000 1.108 464 R CA 0.856 56.970 56.100 0.023 0.000 0.741 464 R CB -2.266 28.069 30.300 0.057 0.000 1.223 464 R HN 0.736 nan 8.270 nan 0.000 0.434 465 G N -1.162 107.584 108.800 -0.090 0.000 2.369 465 G HA2 0.105 4.065 3.960 -0.000 0.000 0.293 465 G HA3 0.105 4.065 3.960 -0.000 0.000 0.293 465 G C -1.438 173.391 174.900 -0.117 0.000 1.301 465 G CA -0.887 44.072 45.100 -0.234 0.000 0.913 465 G HN 0.015 nan 8.290 nan 0.000 0.540 466 Y N 1.418 121.607 120.300 -0.185 0.000 2.570 466 Y HA 0.356 4.906 4.550 -0.000 0.000 0.336 466 Y C 1.989 177.803 175.900 -0.144 0.000 1.284 466 Y CA -0.722 57.294 58.100 -0.140 0.000 1.761 466 Y CB -0.070 38.325 38.460 -0.107 0.000 1.724 466 Y HN 0.303 nan 8.280 nan 0.000 0.455 467 V N 2.152 122.079 119.914 0.021 0.000 2.343 467 V HA -0.315 3.804 4.120 -0.000 0.000 0.247 467 V C 2.324 178.415 176.094 -0.005 0.000 1.051 467 V CA 1.768 64.056 62.300 -0.019 0.000 1.036 467 V CB -0.470 31.339 31.823 -0.023 0.000 0.654 467 V HN 0.741 nan 8.190 nan 0.000 0.451 468 I N -0.250 120.322 120.570 0.003 0.000 2.502 468 I HA -0.284 3.886 4.170 -0.000 0.000 0.258 468 I C 2.276 178.417 176.117 0.040 0.000 1.172 468 I CA 1.725 63.033 61.300 0.014 0.000 1.430 468 I CB 0.169 38.171 38.000 0.003 0.000 1.086 468 I HN 0.331 nan 8.210 nan 0.000 0.440 469 E N 0.419 120.649 120.200 0.049 0.000 2.201 469 E HA 0.059 4.409 4.350 -0.000 0.000 0.193 469 E C 1.952 178.599 176.600 0.079 0.000 0.957 469 E CA 0.585 57.038 56.400 0.088 0.000 0.858 469 E CB -0.068 29.713 29.700 0.134 0.000 0.816 469 E HN 0.478 nan 8.360 nan 0.000 0.475 470 I N 0.635 121.212 120.570 0.012 0.000 2.264 470 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 470 I C 2.161 178.279 176.117 0.001 0.000 1.111 470 I CA 1.280 62.562 61.300 -0.030 0.000 1.382 470 I CB -0.241 37.699 38.000 -0.100 0.000 1.060 470 I HN 0.111 nan 8.210 nan 0.000 0.418 471 A N 0.022 122.841 122.820 -0.002 0.000 2.066 471 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 471 A C 2.048 179.631 177.584 -0.003 0.000 1.157 471 A CA 1.451 53.481 52.037 -0.012 0.000 0.670 471 A CB -0.283 18.697 19.000 -0.033 0.000 0.804 471 A HN 0.322 nan 8.150 nan 0.000 0.453 472 I N -2.693 117.893 120.570 0.028 0.000 3.194 472 I HA 0.170 4.340 4.170 -0.000 0.000 0.271 472 I C 0.575 176.758 176.117 0.110 0.000 1.150 472 I CA 0.681 62.007 61.300 0.044 0.000 1.440 472 I CB -0.065 37.958 38.000 0.038 0.000 1.276 472 I HN 0.454 nan 8.210 nan 0.000 0.457 473 H N -0.019 119.073 119.070 0.036 0.000 3.059 473 H HA 0.301 4.857 4.556 -0.000 0.000 0.302 473 H C -1.274 174.126 175.328 0.120 0.000 1.264 473 H CA -0.596 55.496 56.048 0.072 0.000 1.615 473 H CB 0.291 30.101 29.762 0.081 0.000 1.795 473 H HN -0.080 nan 8.280 nan 0.000 0.556 474 D N 2.369 122.730 120.400 -0.065 0.000 2.255 474 D HA 0.579 5.219 4.640 -0.000 0.000 0.249 474 D C 0.254 176.469 176.300 -0.142 0.000 1.078 474 D CA 0.671 54.648 54.000 -0.038 0.000 0.896 474 D CB 1.303 42.092 40.800 -0.018 0.000 1.194 474 D HN 0.747 nan 8.370 nan 0.000 0.429 475 G N 1.866 110.457 108.800 -0.348 0.000 2.576 475 G HA2 0.302 4.262 3.960 -0.000 0.000 0.290 475 G HA3 0.302 4.262 3.960 -0.000 0.000 0.290 475 G C -2.308 172.169 174.900 -0.704 0.000 1.442 475 G CA -0.917 43.730 45.100 -0.754 0.000 0.792 475 G HN 0.261 nan 8.290 nan 0.000 0.491 476 P HA -0.124 nan 4.420 nan 0.000 0.223 476 P C 1.123 178.413 177.300 -0.017 0.000 1.144 476 P CA 1.181 64.219 63.100 -0.102 0.000 0.783 476 P CB -0.168 31.493 31.700 -0.066 0.000 0.771 477 Y N -1.319 119.068 120.300 0.146 0.000 2.616 477 Y HA 0.113 4.662 4.550 -0.000 0.000 0.296 477 Y C 1.572 177.502 175.900 0.049 0.000 1.154 477 Y CA 0.021 58.185 58.100 0.108 0.000 1.325 477 Y CB -1.990 36.541 38.460 0.119 0.000 1.007 477 Y HN -0.103 nan 8.280 nan 0.000 0.542 478 N N -0.534 118.151 118.700 -0.025 0.000 2.336 478 N HA 0.009 4.749 4.740 -0.000 0.000 0.189 478 N C -1.127 173.930 175.510 -0.756 0.000 1.113 478 N CA 0.207 53.081 53.050 -0.292 0.000 0.858 478 N CB -0.070 38.175 38.487 -0.403 0.000 0.970 478 N HN 0.392 nan 8.380 nan 0.000 0.471 479 Y N 0.949 121.111 120.300 -0.230 0.000 2.328 479 Y HA 0.452 5.002 4.550 -0.000 0.000 0.337 479 Y C 0.595 176.366 175.900 -0.215 0.000 0.966 479 Y CA -1.151 56.821 58.100 -0.214 0.000 1.136 479 Y CB 0.911 39.292 38.460 -0.132 0.000 1.170 479 Y HN -0.127 nan 8.280 nan 0.000 0.470 480 I N -0.481 120.010 120.570 -0.131 0.000 2.910 480 I HA 0.675 4.844 4.170 -0.000 0.000 0.310 480 I C -0.512 175.595 176.117 -0.016 0.000 1.043 480 I CA -1.688 59.541 61.300 -0.119 0.000 1.053 480 I CB 1.637 39.491 38.000 -0.243 0.000 1.242 480 I HN 0.247 nan 8.210 nan 0.000 0.452 481 K N 3.204 123.623 120.400 0.032 0.000 2.412 481 K HA 0.082 4.401 4.320 -0.000 0.000 0.284 481 K C -0.258 176.395 176.600 0.089 0.000 1.046 481 K CA 0.317 56.664 56.287 0.100 0.000 0.999 481 K CB 0.041 32.655 32.500 0.189 0.000 0.941 481 K HN 0.693 nan 8.250 nan 0.000 0.474 482 N N 3.539 122.298 118.700 0.100 0.000 2.479 482 N HA 0.128 4.867 4.740 -0.000 0.000 0.257 482 N C -1.155 174.466 175.510 0.184 0.000 1.232 482 N CA 0.020 53.130 53.050 0.099 0.000 0.920 482 N CB 0.341 38.889 38.487 0.101 0.000 1.105 482 N HN 0.344 nan 8.380 nan 0.000 0.444 483 W N 0.397 121.450 121.300 -0.412 0.000 2.736 483 W HA 0.260 4.920 4.660 -0.000 0.000 0.355 483 W C -0.174 175.988 176.519 -0.596 0.000 1.102 483 W CA -0.833 56.139 57.345 -0.620 0.000 1.164 483 W CB 0.203 29.099 29.460 -0.941 0.000 1.422 483 W HN 0.426 nan 8.180 nan 0.000 0.572 484 D N 0.797 121.112 120.400 -0.141 0.000 2.517 484 D HA 0.071 4.710 4.640 -0.000 0.000 0.220 484 D C 0.639 176.902 176.300 -0.062 0.000 1.158 484 D CA -0.052 53.899 54.000 -0.081 0.000 0.992 484 D CB -0.177 40.587 40.800 -0.060 0.000 1.058 484 D HN 0.179 nan 8.370 nan 0.000 0.516 485 Y N 2.024 122.396 120.300 0.121 0.000 2.224 485 Y HA -0.131 4.419 4.550 -0.000 0.000 0.289 485 Y C 2.487 178.388 175.900 0.002 0.000 1.146 485 Y CA 1.187 59.336 58.100 0.081 0.000 1.182 485 Y CB -0.451 37.970 38.460 -0.065 0.000 0.983 485 Y HN 0.479 nan 8.280 nan 0.000 0.524 486 A N 0.321 123.218 122.820 0.127 0.000 1.902 486 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 486 A C 2.558 180.151 177.584 0.016 0.000 1.181 486 A CA 1.740 53.808 52.037 0.051 0.000 0.623 486 A CB -1.499 17.521 19.000 0.034 0.000 0.818 486 A HN 0.472 nan 8.150 nan 0.000 0.443 487 G N -0.671 108.125 108.800 -0.007 0.000 2.498 487 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.219 487 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.219 487 G C 1.344 176.180 174.900 -0.106 0.000 1.119 487 G CA 1.003 46.071 45.100 -0.053 0.000 0.766 487 G HN 0.454 nan 8.290 nan 0.000 0.552 488 L N 0.153 121.312 121.223 -0.106 0.000 2.275 488 L HA 0.124 4.464 4.340 -0.000 0.000 0.215 488 L C 2.569 179.233 176.870 -0.343 0.000 1.119 488 L CA 1.116 55.802 54.840 -0.258 0.000 0.790 488 L CB -0.231 41.763 42.059 -0.109 0.000 0.919 488 L HN 0.078 nan 8.230 nan 0.000 0.443 489 M N -0.999 118.544 119.600 -0.096 0.000 2.086 489 M HA -0.149 4.330 4.480 -0.000 0.000 0.261 489 M C 2.115 178.401 176.300 -0.023 0.000 1.067 489 M CA 1.374 56.680 55.300 0.009 0.000 1.116 489 M CB -1.061 31.577 32.600 0.063 0.000 1.348 489 M HN 0.214 nan 8.290 nan 0.000 0.407 490 E N 0.093 120.258 120.200 -0.058 0.000 2.160 490 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 490 E C 2.258 178.808 176.600 -0.082 0.000 0.991 490 E CA 0.932 57.299 56.400 -0.055 0.000 0.810 490 E CB -0.477 29.190 29.700 -0.055 0.000 0.742 490 E HN 0.302 nan 8.360 nan 0.000 0.466 491 V N 0.737 120.542 119.914 -0.181 0.000 2.295 491 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 491 V C 2.058 178.096 176.094 -0.092 0.000 1.049 491 V CA 1.636 63.806 62.300 -0.216 0.000 1.024 491 V CB -0.561 31.027 31.823 -0.391 0.000 0.648 491 V HN 0.134 nan 8.190 nan 0.000 0.447 492 F N 0.497 120.443 119.950 -0.007 0.000 2.325 492 F HA -0.008 4.519 4.527 -0.000 0.000 0.299 492 F C 2.257 178.044 175.800 -0.023 0.000 1.090 492 F CA 0.473 58.467 58.000 -0.010 0.000 1.392 492 F CB -1.137 37.870 39.000 0.012 0.000 1.053 492 F HN 0.203 nan 8.300 nan 0.000 0.521 493 N N 0.770 119.548 118.700 0.131 0.000 2.106 493 N HA -0.087 4.653 4.740 -0.000 0.000 0.188 493 N C 1.453 176.968 175.510 0.009 0.000 1.029 493 N CA 1.431 54.506 53.050 0.041 0.000 0.848 493 N CB -0.680 37.806 38.487 -0.002 0.000 1.007 493 N HN 0.101 nan 8.380 nan 0.000 0.423 494 A N -0.497 122.325 122.820 0.003 0.000 2.704 494 A HA -0.094 4.225 4.320 -0.000 0.000 0.299 494 A C 1.351 178.920 177.584 -0.026 0.000 1.507 494 A CA 1.822 53.853 52.037 -0.010 0.000 0.776 494 A CB -1.954 17.049 19.000 0.005 0.000 1.027 494 A HN 0.907 nan 8.150 nan 0.000 0.475 495 G N -2.269 106.507 108.800 -0.040 0.000 2.184 495 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.264 495 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.264 495 G C 0.584 175.439 174.900 -0.074 0.000 0.975 495 G CA 1.471 46.540 45.100 -0.052 0.000 0.642 495 G HN 0.883 nan 8.290 nan 0.000 0.536 496 E N -0.037 120.114 120.200 -0.081 0.000 2.110 496 E HA 0.311 4.660 4.350 -0.000 0.000 0.194 496 E C 2.012 178.491 176.600 -0.201 0.000 0.944 496 E CA 0.161 56.501 56.400 -0.101 0.000 0.899 496 E CB -0.055 29.611 29.700 -0.057 0.000 0.907 496 E HN 0.431 nan 8.360 nan 0.000 0.473 497 G N -0.251 108.459 108.800 -0.150 0.000 2.653 497 G HA2 -0.001 3.958 3.960 -0.000 0.000 0.265 497 G HA3 -0.001 3.958 3.960 -0.000 0.000 0.265 497 G C -0.508 174.203 174.900 -0.315 0.000 1.237 497 G CA -0.142 44.865 45.100 -0.155 0.000 0.946 497 G HN 0.314 nan 8.290 nan 0.000 0.522 498 H N -1.196 117.899 119.070 0.042 0.000 2.467 498 H HA 0.361 4.917 4.556 -0.000 0.000 0.275 498 H C 1.268 176.625 175.328 0.049 0.000 1.131 498 H CA 0.068 56.140 56.048 0.040 0.000 0.989 498 H CB 0.461 30.245 29.762 0.036 0.000 1.696 498 H HN 0.598 nan 8.280 nan 0.000 0.574 499 G N 0.645 109.516 108.800 0.118 0.000 2.483 499 G HA2 0.369 4.329 3.960 -0.000 0.000 0.248 499 G HA3 0.369 4.329 3.960 -0.000 0.000 0.248 499 G C -0.543 174.407 174.900 0.083 0.000 1.248 499 G CA -0.421 44.746 45.100 0.112 0.000 0.838 499 G HN 0.267 nan 8.290 nan 0.000 0.566 500 L N 1.244 122.509 121.223 0.070 0.000 2.346 500 L HA 0.662 5.002 4.340 -0.000 0.000 0.276 500 L C 0.465 177.354 176.870 0.030 0.000 1.006 500 L CA -0.872 53.994 54.840 0.043 0.000 0.817 500 L CB 2.233 44.312 42.059 0.033 0.000 1.272 500 L HN 0.655 nan 8.230 nan 0.000 0.421 501 G N 4.830 113.642 108.800 0.020 0.000 2.487 501 G HA2 0.678 4.638 3.960 -0.000 0.000 0.314 501 G HA3 0.678 4.638 3.960 -0.000 0.000 0.314 501 G C -1.250 173.651 174.900 0.001 0.000 1.267 501 G CA -0.308 44.799 45.100 0.011 0.000 0.937 501 G HN 0.386 nan 8.290 nan 0.000 0.481 502 L N 1.399 122.616 121.223 -0.011 0.000 2.388 502 L HA 0.560 4.900 4.340 -0.000 0.000 0.264 502 L C -0.055 176.811 176.870 -0.007 0.000 0.998 502 L CA -1.009 53.825 54.840 -0.009 0.000 0.817 502 L CB 2.874 44.923 42.059 -0.017 0.000 1.338 502 L HN 0.291 nan 8.230 nan 0.000 0.414 503 K N 1.614 122.016 120.400 0.004 0.000 2.185 503 K HA 0.738 5.058 4.320 -0.000 0.000 0.269 503 K C -0.756 175.848 176.600 0.006 0.000 0.987 503 K CA -0.507 55.786 56.287 0.010 0.000 0.865 503 K CB 2.003 34.514 32.500 0.018 0.000 1.090 503 K HN 0.665 nan 8.250 nan 0.000 0.450 504 A N 2.172 124.996 122.820 0.006 0.000 2.304 504 A HA 0.357 4.677 4.320 -0.000 0.000 0.314 504 A C 0.322 177.904 177.584 -0.002 0.000 1.187 504 A CA -0.392 51.647 52.037 0.002 0.000 0.810 504 A CB 1.312 20.317 19.000 0.007 0.000 1.183 504 A HN 0.714 nan 8.150 nan 0.000 0.487 505 T N 0.709 115.260 114.554 -0.004 0.000 2.958 505 T HA 0.239 4.588 4.350 -0.000 0.000 0.256 505 T C 0.625 175.320 174.700 -0.009 0.000 0.983 505 T CA 1.285 63.384 62.100 -0.002 0.000 0.924 505 T CB 0.049 68.920 68.868 0.005 0.000 1.136 505 T HN 1.019 nan 8.240 nan 0.000 0.506 506 T N -1.317 113.228 114.554 -0.015 0.000 2.883 506 T HA 0.517 4.867 4.350 -0.000 0.000 0.296 506 T C -2.550 172.125 174.700 -0.043 0.000 1.117 506 T CA -1.596 60.493 62.100 -0.017 0.000 1.006 506 T CB 1.709 70.576 68.868 -0.001 0.000 1.191 506 T HN -0.359 nan 8.240 nan 0.000 0.508 507 P HA -0.043 nan 4.420 nan 0.000 0.218 507 P C 1.471 178.775 177.300 0.006 0.000 1.148 507 P CA 0.889 63.944 63.100 -0.075 0.000 0.822 507 P CB 0.152 31.876 31.700 0.040 0.000 0.784 508 K N 0.359 120.782 120.400 0.039 0.000 2.057 508 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 508 K C 2.062 178.687 176.600 0.041 0.000 1.049 508 K CA 1.468 57.790 56.287 0.058 0.000 0.931 508 K CB -0.253 32.272 32.500 0.042 0.000 0.714 508 K HN 0.069 nan 8.250 nan 0.000 0.440 509 E N 0.307 120.516 120.200 0.015 0.000 2.204 509 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 509 E C 1.942 178.547 176.600 0.009 0.000 0.989 509 E CA 0.490 56.897 56.400 0.012 0.000 0.824 509 E CB 0.085 29.788 29.700 0.004 0.000 0.756 509 E HN 0.165 nan 8.360 nan 0.000 0.477 510 L N 0.113 121.320 121.223 -0.025 0.000 2.131 510 L HA -0.074 4.265 4.340 -0.000 0.000 0.206 510 L C 2.336 179.245 176.870 0.064 0.000 1.087 510 L CA 1.731 56.552 54.840 -0.033 0.000 0.767 510 L CB -0.666 41.264 42.059 -0.214 0.000 0.917 510 L HN 0.006 nan 8.230 nan 0.000 0.441 511 T N -0.947 113.677 114.554 0.116 0.000 2.788 511 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 511 T C 1.735 176.515 174.700 0.133 0.000 1.044 511 T CA 1.778 64.015 62.100 0.228 0.000 1.139 511 T CB -0.052 68.971 68.868 0.258 0.000 0.867 511 T HN 0.464 nan 8.240 nan 0.000 0.454 512 E N 0.338 120.590 120.200 0.087 0.000 2.072 512 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 512 E C 2.435 179.067 176.600 0.053 0.000 0.985 512 E CA 0.959 57.395 56.400 0.060 0.000 0.801 512 E CB -0.197 29.529 29.700 0.043 0.000 0.750 512 E HN 0.506 nan 8.360 nan 0.000 0.452 513 A N 0.841 123.691 122.820 0.050 0.000 1.933 513 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 513 A C 2.134 179.738 177.584 0.033 0.000 1.175 513 A CA 1.066 53.121 52.037 0.029 0.000 0.628 513 A CB -0.526 18.483 19.000 0.015 0.000 0.814 513 A HN 0.163 nan 8.150 nan 0.000 0.444 514 I N -0.362 120.261 120.570 0.089 0.000 2.315 514 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 514 I C 2.928 179.093 176.117 0.080 0.000 1.117 514 I CA 0.869 62.238 61.300 0.114 0.000 1.404 514 I CB -0.288 37.848 38.000 0.226 0.000 1.071 514 I HN 0.352 nan 8.210 nan 0.000 0.419 515 A N 0.936 123.800 122.820 0.073 0.000 1.902 515 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 515 A C 2.408 180.015 177.584 0.039 0.000 1.181 515 A CA 1.344 53.413 52.037 0.054 0.000 0.623 515 A CB -0.452 18.578 19.000 0.050 0.000 0.818 515 A HN 0.256 nan 8.150 nan 0.000 0.443 516 R N -0.482 120.037 120.500 0.032 0.000 2.081 516 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 516 R C 2.467 178.778 176.300 0.018 0.000 1.131 516 R CA 1.325 57.439 56.100 0.023 0.000 0.960 516 R CB -0.863 29.448 30.300 0.018 0.000 0.856 516 R HN 0.536 nan 8.270 nan 0.000 0.436 517 A N 1.791 124.616 122.820 0.009 0.000 1.877 517 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 517 A C 2.067 179.662 177.584 0.018 0.000 1.186 517 A CA 1.503 53.538 52.037 -0.003 0.000 0.620 517 A CB -0.324 18.649 19.000 -0.044 0.000 0.822 517 A HN 0.238 nan 8.150 nan 0.000 0.443 518 K N -0.309 120.110 120.400 0.032 0.000 2.147 518 K HA -0.045 4.275 4.320 -0.000 0.000 0.205 518 K C 1.992 178.610 176.600 0.029 0.000 1.049 518 K CA 1.084 57.393 56.287 0.037 0.000 0.936 518 K CB -0.262 32.263 32.500 0.043 0.000 0.722 518 K HN 0.454 nan 8.250 nan 0.000 0.446 519 A N 1.208 124.043 122.820 0.026 0.000 2.169 519 A HA -0.044 4.276 4.320 -0.000 0.000 0.212 519 A C 0.781 178.376 177.584 0.019 0.000 1.153 519 A CA 0.309 52.359 52.037 0.021 0.000 0.756 519 A CB -0.189 18.823 19.000 0.021 0.000 0.813 519 A HN 0.164 nan 8.150 nan 0.000 0.471 520 N N 0.905 119.620 118.700 0.024 0.000 2.555 520 N HA 0.136 4.876 4.740 -0.000 0.000 0.244 520 N C 1.001 176.527 175.510 0.027 0.000 1.114 520 N CA 0.734 53.802 53.050 0.029 0.000 0.963 520 N CB 0.533 39.044 38.487 0.039 0.000 1.276 520 N HN 0.268 nan 8.380 nan 0.000 0.510 521 T N -0.149 114.410 114.554 0.008 0.000 3.065 521 T HA 0.153 4.502 4.350 -0.000 0.000 0.252 521 T C 1.120 175.822 174.700 0.004 0.000 1.099 521 T CA 0.456 62.560 62.100 0.007 0.000 1.063 521 T CB 0.103 68.968 68.868 -0.005 0.000 0.948 521 T HN 0.348 nan 8.240 nan 0.000 0.506 522 R N 0.463 120.958 120.500 -0.010 0.000 2.577 522 R HA 0.524 4.864 4.340 -0.000 0.000 0.344 522 R C 0.443 176.801 176.300 0.097 0.000 1.037 522 R CA -0.229 55.866 56.100 -0.009 0.000 1.102 522 R CB 1.266 31.452 30.300 -0.190 0.000 1.313 522 R HN 0.472 nan 8.270 nan 0.000 0.561 523 G N 1.090 109.954 108.800 0.107 0.000 2.523 523 G HA2 0.253 4.213 3.960 -0.000 0.000 0.291 523 G HA3 0.253 4.213 3.960 -0.000 0.000 0.291 523 G C -3.192 171.772 174.900 0.107 0.000 1.450 523 G CA -0.958 44.222 45.100 0.133 0.000 0.790 523 G HN -0.270 nan 8.290 nan 0.000 0.496 524 P HA 0.348 nan 4.420 nan 0.000 0.274 524 P C -0.500 176.842 177.300 0.071 0.000 1.231 524 P CA 0.121 63.278 63.100 0.095 0.000 0.790 524 P CB 1.170 32.941 31.700 0.119 0.000 0.951 525 T N 2.627 117.198 114.554 0.029 0.000 2.815 525 T HA 0.400 4.749 4.350 -0.000 0.000 0.289 525 T C -0.151 174.507 174.700 -0.069 0.000 1.000 525 T CA -0.434 61.657 62.100 -0.015 0.000 0.958 525 T CB 0.545 69.386 68.868 -0.045 0.000 0.944 525 T HN 0.285 nan 8.240 nan 0.000 0.442 526 L N 4.939 126.137 121.223 -0.043 0.000 2.264 526 L HA 0.605 4.945 4.340 -0.000 0.000 0.289 526 L C -0.939 175.854 176.870 -0.129 0.000 1.044 526 L CA -0.721 54.066 54.840 -0.088 0.000 0.807 526 L CB 0.320 42.364 42.059 -0.025 0.000 1.192 526 L HN 0.641 nan 8.230 nan 0.000 0.425 527 I N 5.130 125.570 120.570 -0.218 0.000 2.330 527 I HA 0.217 4.387 4.170 -0.000 0.000 0.286 527 I C 0.106 176.161 176.117 -0.104 0.000 1.025 527 I CA -0.297 60.902 61.300 -0.169 0.000 1.197 527 I CB 1.368 39.215 38.000 -0.254 0.000 1.358 527 I HN 0.601 nan 8.210 nan 0.000 0.467 528 E N 6.367 126.531 120.200 -0.061 0.000 2.029 528 E HA 0.159 4.509 4.350 -0.000 0.000 0.276 528 E C -1.023 175.568 176.600 -0.015 0.000 1.163 528 E CA -0.509 55.862 56.400 -0.048 0.000 0.909 528 E CB 0.475 30.193 29.700 0.029 0.000 1.046 528 E HN 0.622 nan 8.360 nan 0.000 0.406 529 C N 5.059 124.351 119.300 -0.013 0.000 2.373 529 C HA 0.217 4.677 4.460 -0.000 0.000 0.354 529 C C 0.274 175.258 174.990 -0.010 0.000 1.249 529 C CA -0.653 58.371 59.018 0.010 0.000 1.784 529 C CB -0.066 27.703 27.740 0.048 0.000 2.408 529 C HN 0.688 nan 8.230 nan 0.000 0.542 530 Q N 3.203 123.003 119.800 0.000 0.000 2.360 530 Q HA 0.652 4.991 4.340 -0.000 0.000 0.254 530 Q C -0.176 175.823 176.000 -0.002 0.000 0.975 530 Q CA 0.140 55.945 55.803 0.004 0.000 0.912 530 Q CB 0.897 29.646 28.738 0.018 0.000 1.212 530 Q HN 0.833 nan 8.270 nan 0.000 0.452 531 I N -2.004 118.563 120.570 -0.005 0.000 3.002 531 I HA 0.583 4.753 4.170 -0.000 0.000 0.310 531 I C -0.526 175.591 176.117 -0.000 0.000 1.087 531 I CA -1.357 59.940 61.300 -0.005 0.000 1.017 531 I CB 1.947 39.941 38.000 -0.010 0.000 1.226 531 I HN 0.260 nan 8.210 nan 0.000 0.443 532 D N 1.628 122.029 120.400 0.001 0.000 2.399 532 D HA 0.103 4.742 4.640 -0.000 0.000 0.241 532 D C 1.248 177.551 176.300 0.004 0.000 1.133 532 D CA -0.023 53.980 54.000 0.005 0.000 0.890 532 D CB 1.250 42.052 40.800 0.004 0.000 1.201 532 D HN 0.667 nan 8.370 nan 0.000 0.432 533 R N 1.674 122.182 120.500 0.013 0.000 2.200 533 R HA -0.135 4.204 4.340 -0.000 0.000 0.234 533 R C 1.360 177.663 176.300 0.005 0.000 1.127 533 R CA 1.503 57.611 56.100 0.014 0.000 0.989 533 R CB -0.157 30.168 30.300 0.041 0.000 0.869 533 R HN 0.431 nan 8.270 nan 0.000 0.459 534 T N -0.257 114.300 114.554 0.004 0.000 3.088 534 T HA -0.060 4.290 4.350 -0.000 0.000 0.259 534 T C -0.099 174.594 174.700 -0.012 0.000 1.122 534 T CA 0.682 62.780 62.100 -0.002 0.000 1.095 534 T CB -0.057 68.811 68.868 -0.001 0.000 0.930 534 T HN 0.213 nan 8.240 nan 0.000 0.508 535 D N 1.913 122.307 120.400 -0.011 0.000 2.943 535 D HA 0.182 4.822 4.640 -0.000 0.000 0.249 535 D C 0.189 176.478 176.300 -0.018 0.000 1.231 535 D CA -0.543 53.449 54.000 -0.013 0.000 0.979 535 D CB -0.831 39.964 40.800 -0.008 0.000 1.053 535 D HN 0.422 nan 8.370 nan 0.000 0.504 536 C N -0.069 119.214 119.300 -0.030 0.000 2.423 536 C HA 0.871 5.331 4.460 -0.000 0.000 0.378 536 C C 0.899 175.855 174.990 -0.057 0.000 1.244 536 C CA -0.765 58.228 59.018 -0.042 0.000 1.978 536 C CB 0.514 28.219 27.740 -0.059 0.000 2.252 536 C HN 0.470 nan 8.230 nan 0.000 0.526 537 T N -0.616 113.893 114.554 -0.074 0.000 2.930 537 T HA 0.149 4.498 4.350 -0.000 0.000 0.306 537 T C 0.557 175.176 174.700 -0.136 0.000 1.045 537 T CA 0.194 62.245 62.100 -0.083 0.000 1.134 537 T CB 0.408 69.241 68.868 -0.058 0.000 0.961 537 T HN 0.708 nan 8.240 nan 0.000 0.545 538 D N 1.362 121.705 120.400 -0.094 0.000 2.182 538 D HA -0.122 4.517 4.640 -0.000 0.000 0.201 538 D C 1.864 178.073 176.300 -0.152 0.000 0.986 538 D CA 1.077 55.017 54.000 -0.100 0.000 0.847 538 D CB -0.255 40.510 40.800 -0.058 0.000 0.942 538 D HN 0.672 nan 8.370 nan 0.000 0.467 539 M N 0.150 119.652 119.600 -0.164 0.000 2.082 539 M HA -0.193 4.287 4.480 -0.000 0.000 0.258 539 M C 2.181 178.162 176.300 -0.532 0.000 1.069 539 M CA 1.245 56.418 55.300 -0.213 0.000 1.102 539 M CB -0.056 32.519 32.600 -0.042 0.000 1.336 539 M HN 0.070 nan 8.290 nan 0.000 0.404 540 L N -0.285 120.410 121.223 -0.881 0.000 2.017 540 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 540 L C 2.073 178.701 176.870 -0.403 0.000 1.073 540 L CA 1.277 55.429 54.840 -1.147 0.000 0.745 540 L CB -0.297 41.233 42.059 -0.882 0.000 0.894 540 L HN 0.138 nan 8.230 nan 0.000 0.432 541 V N -0.134 119.622 119.914 -0.264 0.000 2.255 541 V HA -0.339 3.781 4.120 -0.000 0.000 0.247 541 V C 2.529 178.551 176.094 -0.121 0.000 1.051 541 V CA 2.196 64.409 62.300 -0.145 0.000 1.018 541 V CB -0.751 31.005 31.823 -0.111 0.000 0.641 541 V HN 0.545 nan 8.190 nan 0.000 0.445 542 Q N -1.509 118.215 119.800 -0.125 0.000 2.002 542 Q HA -0.301 4.039 4.340 -0.000 0.000 0.204 542 Q C 2.095 178.034 176.000 -0.103 0.000 0.988 542 Q CA 2.582 58.323 55.803 -0.102 0.000 0.843 542 Q CB -0.319 28.363 28.738 -0.092 0.000 0.908 542 Q HN 0.805 nan 8.270 nan 0.000 0.420 543 W N 0.603 121.709 121.300 -0.323 0.000 2.335 543 W HA -0.177 4.483 4.660 -0.000 0.000 0.311 543 W C 2.041 178.415 176.519 -0.242 0.000 1.213 543 W CA 2.056 59.195 57.345 -0.344 0.000 1.274 543 W CB -0.768 28.431 29.460 -0.435 0.000 1.148 543 W HN 0.150 nan 8.180 nan 0.000 0.498 544 G N 0.316 109.046 108.800 -0.117 0.000 2.421 544 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.216 544 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.216 544 G C 1.583 176.297 174.900 -0.309 0.000 1.171 544 G CA 1.115 46.042 45.100 -0.289 0.000 0.775 544 G HN 0.290 nan 8.290 nan 0.000 0.543 545 R N -0.154 120.228 120.500 -0.197 0.000 2.091 545 R HA -0.036 4.304 4.340 -0.000 0.000 0.238 545 R C 2.579 178.770 176.300 -0.181 0.000 1.136 545 R CA 1.236 57.248 56.100 -0.148 0.000 0.959 545 R CB -0.169 30.070 30.300 -0.101 0.000 0.856 545 R HN 0.121 nan 8.270 nan 0.000 0.437 546 K N 0.611 120.866 120.400 -0.242 0.000 2.031 546 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 546 K C 2.039 178.468 176.600 -0.285 0.000 1.049 546 K CA 1.013 57.164 56.287 -0.228 0.000 0.939 546 K CB -0.245 32.120 32.500 -0.226 0.000 0.717 546 K HN 0.021 nan 8.250 nan 0.000 0.438 547 V N 1.443 121.063 119.914 -0.490 0.000 2.295 547 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 547 V C 2.503 178.426 176.094 -0.284 0.000 1.049 547 V CA 2.004 64.004 62.300 -0.499 0.000 1.024 547 V CB -0.756 30.491 31.823 -0.961 0.000 0.648 547 V HN 0.341 nan 8.190 nan 0.000 0.447 548 A N 0.636 123.298 122.820 -0.263 0.000 1.902 548 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 548 A C 2.537 180.070 177.584 -0.086 0.000 1.181 548 A CA 2.328 54.281 52.037 -0.140 0.000 0.623 548 A CB -0.761 18.180 19.000 -0.099 0.000 0.818 548 A HN 0.693 nan 8.150 nan 0.000 0.443 549 S N -1.318 114.332 115.700 -0.083 0.000 2.428 549 S HA -0.099 4.370 4.470 -0.000 0.000 0.230 549 S C 1.749 176.334 174.600 -0.024 0.000 1.014 549 S CA 1.739 59.914 58.200 -0.041 0.000 0.957 549 S CB -0.858 62.320 63.200 -0.037 0.000 0.784 549 S HN 0.462 nan 8.310 nan 0.000 0.499 550 T N 2.771 117.302 114.554 -0.039 0.000 2.851 550 T HA 0.068 4.418 4.350 -0.000 0.000 0.262 550 T C 1.612 176.336 174.700 0.040 0.000 1.043 550 T CA 1.186 63.296 62.100 0.017 0.000 1.140 550 T CB -0.456 68.418 68.868 0.010 0.000 0.872 550 T HN 0.413 nan 8.240 nan 0.000 0.446 551 N N 1.524 120.223 118.700 -0.001 0.000 2.453 551 N HA 0.072 4.812 4.740 -0.000 0.000 0.183 551 N C 1.503 177.011 175.510 -0.002 0.000 1.041 551 N CA 0.685 53.740 53.050 0.009 0.000 0.900 551 N CB -0.183 38.295 38.487 -0.016 0.000 0.961 551 N HN 0.416 nan 8.380 nan 0.000 0.443 552 A N 0.534 123.348 122.820 -0.011 0.000 2.308 552 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 552 A C 0.930 178.517 177.584 0.006 0.000 1.216 552 A CA -0.412 51.618 52.037 -0.012 0.000 0.864 552 A CB -0.119 18.870 19.000 -0.018 0.000 0.902 552 A HN 0.213 nan 8.150 nan 0.000 0.499 553 R N -0.007 120.506 120.500 0.020 0.000 2.583 553 R HA -0.005 4.335 4.340 -0.000 0.000 0.274 553 R C 0.128 176.441 176.300 0.022 0.000 0.998 553 R CA 0.622 56.739 56.100 0.028 0.000 1.081 553 R CB 0.351 30.681 30.300 0.050 0.000 0.940 553 R HN 0.006 nan 8.270 nan 0.000 0.413 554 K N 1.432 121.843 120.400 0.018 0.000 2.323 554 K HA 0.136 4.455 4.320 -0.000 0.000 0.197 554 K C -0.048 176.559 176.600 0.012 0.000 1.043 554 K CA 0.916 57.211 56.287 0.013 0.000 0.997 554 K CB 0.663 33.169 32.500 0.011 0.000 0.807 554 K HN 0.661 nan 8.250 nan 0.000 0.497 555 T N 0.000 114.563 114.554 0.015 0.000 3.816 555 T HA 0.000 4.350 4.350 -0.000 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