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 1fwi_1_C DATA FIRST_RESID 2 DATA SEQUENCE SNISRQAYAD MFGPTVGDKV RLADTELWIE VEDDLTTYGE EVKFGGGKVI DATA SEQUENCE RDGMGQGQML AADCVDLVLT NALIVDHWGI VKADIGVKDG RIFAIGKAGN DATA SEQUENCE PDIQPNVTIP IGAATEVIAA EGKIVTAGGI DTAIHWICPQ QAEEALVSGV DATA SEQUENCE TTMVGGGTGP AAGTHATTCT PGPWYISRML QAADSLPVNI GLLGKGNVSQ DATA SEQUENCE PDALREQVAA GVIGLXIHED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLXXXXX XXXXXXXXXX FAESRIRRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.616 174.600 0.027 0.000 1.055 2 S CA 0.000 58.219 58.200 0.032 0.000 1.107 2 S CB 0.000 63.223 63.200 0.038 0.000 0.593 3 N N -0.154 118.562 118.700 0.027 0.000 2.357 3 N HA 0.757 5.497 4.740 -0.000 0.000 0.284 3 N C -1.828 173.703 175.510 0.035 0.000 1.236 3 N CA -0.410 52.649 53.050 0.014 0.000 0.774 3 N CB 2.512 41.001 38.487 0.003 0.000 1.534 3 N HN 0.710 nan 8.380 nan 0.000 0.478 4 I N 0.523 121.113 120.570 0.033 0.000 2.827 4 I HA 0.239 4.409 4.170 -0.000 0.000 0.298 4 I C -0.255 175.893 176.117 0.052 0.000 1.235 4 I CA -0.472 60.874 61.300 0.076 0.000 1.021 4 I CB 2.000 40.103 38.000 0.171 0.000 1.259 4 I HN 0.620 nan 8.210 nan 0.000 0.427 5 S N 5.923 121.660 115.700 0.062 0.000 2.592 5 S HA 0.366 4.836 4.470 -0.000 0.000 0.271 5 S C 0.997 175.645 174.600 0.080 0.000 1.326 5 S CA -0.484 57.742 58.200 0.044 0.000 1.024 5 S CB 1.605 64.828 63.200 0.038 0.000 0.921 5 S HN 0.802 nan 8.310 nan 0.000 0.527 6 R N 0.457 120.981 120.500 0.039 0.000 2.127 6 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 6 R C 2.340 178.722 176.300 0.137 0.000 1.134 6 R CA 1.742 57.880 56.100 0.064 0.000 0.975 6 R CB -0.418 29.885 30.300 0.006 0.000 0.865 6 R HN 0.792 nan 8.270 nan 0.000 0.447 7 Q N 0.620 120.476 119.800 0.094 0.000 2.046 7 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 7 Q C 1.898 177.955 176.000 0.094 0.000 0.975 7 Q CA 2.062 57.917 55.803 0.087 0.000 0.836 7 Q CB -0.286 28.485 28.738 0.054 0.000 0.896 7 Q HN 0.292 nan 8.270 nan 0.000 0.428 8 A N -0.704 122.170 122.820 0.091 0.000 1.972 8 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 8 A C 2.028 179.666 177.584 0.091 0.000 1.169 8 A CA 1.426 53.503 52.037 0.067 0.000 0.635 8 A CB -1.013 18.024 19.000 0.062 0.000 0.810 8 A HN 0.619 nan 8.150 nan 0.000 0.446 9 Y N 0.512 120.863 120.300 0.086 0.000 2.114 9 Y HA -0.097 4.453 4.550 -0.000 0.000 0.284 9 Y C 2.688 178.705 175.900 0.193 0.000 1.143 9 Y CA 1.551 59.768 58.100 0.195 0.000 1.135 9 Y CB -0.489 38.051 38.460 0.133 0.000 0.980 9 Y HN 0.305 nan 8.280 nan 0.000 0.499 10 A N 0.074 123.063 122.820 0.282 0.000 1.940 10 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 10 A C 1.866 179.474 177.584 0.040 0.000 1.176 10 A CA 2.105 54.254 52.037 0.187 0.000 0.631 10 A CB -0.865 18.241 19.000 0.177 0.000 0.814 10 A HN 0.566 nan 8.150 nan 0.000 0.446 11 D N -0.821 119.579 120.400 -0.001 0.000 2.144 11 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 11 D C 1.966 178.169 176.300 -0.163 0.000 0.984 11 D CA 1.269 55.236 54.000 -0.055 0.000 0.834 11 D CB -0.220 40.555 40.800 -0.043 0.000 0.955 11 D HN 0.502 nan 8.370 nan 0.000 0.465 12 M N -1.421 117.990 119.600 -0.315 0.000 2.325 12 M HA 0.053 4.533 4.480 -0.000 0.000 0.265 12 M C 0.825 176.627 176.300 -0.831 0.000 1.094 12 M CA 0.904 55.809 55.300 -0.658 0.000 1.161 12 M CB 0.293 32.273 32.600 -1.033 0.000 1.358 12 M HN -0.073 nan 8.290 nan 0.000 0.446 13 F N -0.240 119.539 119.950 -0.284 0.000 2.706 13 F HA 0.461 4.988 4.527 -0.000 0.000 0.313 13 F C 1.018 176.771 175.800 -0.079 0.000 1.096 13 F CA -0.033 57.828 58.000 -0.233 0.000 1.219 13 F CB 0.382 39.105 39.000 -0.461 0.000 1.051 13 F HN 0.196 nan 8.300 nan 0.000 0.568 14 G N 1.563 110.412 108.800 0.081 0.000 2.699 14 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.686 14 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.686 14 G C -2.978 172.048 174.900 0.210 0.000 1.301 14 G CA -1.387 43.791 45.100 0.129 0.000 0.816 14 G HN -0.066 nan 8.290 nan 0.000 0.595 15 P HA 0.400 nan 4.420 nan 0.000 0.270 15 P C 0.167 177.620 177.300 0.255 0.000 1.223 15 P CA 0.504 63.731 63.100 0.212 0.000 0.785 15 P CB 1.510 33.295 31.700 0.141 0.000 0.923 16 T N -0.301 114.397 114.554 0.239 0.000 2.773 16 T HA 0.286 4.636 4.350 -0.000 0.000 0.278 16 T C -0.446 174.335 174.700 0.134 0.000 1.011 16 T CA -0.791 61.439 62.100 0.217 0.000 1.014 16 T CB 0.615 69.625 68.868 0.236 0.000 1.293 16 T HN 0.108 nan 8.240 nan 0.000 0.554 17 V N 2.281 122.269 119.914 0.124 0.000 2.644 17 V HA 0.301 4.421 4.120 -0.000 0.000 0.303 17 V C 1.868 177.998 176.094 0.062 0.000 1.058 17 V CA 1.659 64.012 62.300 0.087 0.000 1.228 17 V CB -0.331 31.544 31.823 0.087 0.000 0.861 17 V HN 1.337 nan 8.190 nan 0.000 0.484 18 G N 3.594 112.427 108.800 0.054 0.000 2.234 18 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.235 18 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.235 18 G C -0.062 174.864 174.900 0.043 0.000 0.997 18 G CA 0.040 45.163 45.100 0.038 0.000 0.623 18 G HN 0.672 nan 8.290 nan 0.000 0.514 19 D N 1.291 121.729 120.400 0.064 0.000 2.341 19 D HA 0.552 5.191 4.640 -0.000 0.000 0.245 19 D C 0.555 176.912 176.300 0.095 0.000 1.106 19 D CA 0.335 54.383 54.000 0.079 0.000 0.905 19 D CB 1.047 41.908 40.800 0.102 0.000 1.202 19 D HN 0.393 nan 8.370 nan 0.000 0.426 20 K N 0.260 120.738 120.400 0.131 0.000 2.208 20 K HA 0.663 4.983 4.320 -0.000 0.000 0.247 20 K C -0.980 175.797 176.600 0.294 0.000 0.953 20 K CA -0.958 55.459 56.287 0.217 0.000 0.837 20 K CB 2.246 34.891 32.500 0.242 0.000 1.131 20 K HN 0.089 nan 8.250 nan 0.000 0.431 21 V N 1.786 121.832 119.914 0.219 0.000 2.638 21 V HA 0.381 4.501 4.120 -0.000 0.000 0.306 21 V C -0.424 175.487 176.094 -0.305 0.000 1.052 21 V CA -1.020 61.281 62.300 0.002 0.000 0.885 21 V CB 1.711 33.489 31.823 -0.074 0.000 0.999 21 V HN 0.692 nan 8.190 nan 0.000 0.424 22 R N 3.723 123.782 120.500 -0.734 0.000 2.390 22 R HA 0.494 4.834 4.340 -0.000 0.000 0.291 22 R C -0.958 174.960 176.300 -0.636 0.000 1.070 22 R CA -0.540 54.875 56.100 -1.142 0.000 1.014 22 R CB 0.629 30.137 30.300 -1.320 0.000 1.007 22 R HN 0.711 nan 8.270 nan 0.000 0.466 23 L N 6.143 127.003 121.223 -0.604 0.000 2.295 23 L HA 0.224 4.564 4.340 -0.000 0.000 0.288 23 L C 1.125 177.787 176.870 -0.347 0.000 1.079 23 L CA 0.279 54.799 54.840 -0.533 0.000 0.830 23 L CB 0.635 42.276 42.059 -0.696 0.000 1.200 23 L HN 1.103 nan 8.230 nan 0.000 0.438 24 A N 4.053 126.731 122.820 -0.237 0.000 5.483 24 A HA -0.319 4.001 4.320 -0.000 0.000 0.309 24 A C 0.790 178.280 177.584 -0.156 0.000 1.898 24 A CA 1.431 53.374 52.037 -0.157 0.000 0.716 24 A CB -1.094 17.801 19.000 -0.176 0.000 1.309 24 A HN 0.948 nan 8.150 nan 0.000 0.380 25 D N 0.074 120.425 120.400 -0.082 0.000 2.525 25 D HA 0.348 4.988 4.640 -0.000 0.000 0.229 25 D C 0.702 176.919 176.300 -0.138 0.000 1.202 25 D CA 1.031 54.976 54.000 -0.093 0.000 0.828 25 D CB -1.024 39.763 40.800 -0.023 0.000 1.008 25 D HN 1.094 nan 8.370 nan 0.000 0.493 26 T N -2.763 111.686 114.554 -0.174 0.000 2.814 26 T HA 0.270 4.620 4.350 -0.000 0.000 0.284 26 T C 0.783 175.495 174.700 0.020 0.000 0.998 26 T CA -0.495 61.529 62.100 -0.126 0.000 0.935 26 T CB 1.501 70.333 68.868 -0.060 0.000 1.167 26 T HN -0.219 nan 8.240 nan 0.000 0.545 27 E N -0.030 120.353 120.200 0.305 0.000 2.463 27 E HA 0.286 4.636 4.350 -0.000 0.000 0.193 27 E C -0.104 176.583 176.600 0.144 0.000 1.041 27 E CA -0.111 56.411 56.400 0.202 0.000 0.879 27 E CB -0.153 29.653 29.700 0.178 0.000 0.997 27 E HN 0.540 nan 8.360 nan 0.000 0.478 28 L N 0.667 121.889 121.223 -0.002 0.000 2.290 28 L HA 0.271 4.611 4.340 -0.000 0.000 0.284 28 L C -0.412 176.345 176.870 -0.189 0.000 1.078 28 L CA -0.371 54.452 54.840 -0.028 0.000 0.815 28 L CB 0.463 42.472 42.059 -0.083 0.000 1.162 28 L HN -0.082 nan 8.230 nan 0.000 0.435 29 W N 4.775 126.025 121.300 -0.084 0.000 2.656 29 W HA 0.623 5.283 4.660 -0.000 0.000 0.327 29 W C -0.200 176.256 176.519 -0.105 0.000 1.041 29 W CA -0.485 56.804 57.345 -0.094 0.000 1.229 29 W CB 1.523 30.950 29.460 -0.055 0.000 1.397 29 W HN 0.242 nan 8.180 nan 0.000 0.479 30 I N -0.272 120.338 120.570 0.068 0.000 2.562 30 I HA 0.651 4.821 4.170 -0.000 0.000 0.301 30 I C -0.509 175.646 176.117 0.062 0.000 1.003 30 I CA -1.098 60.204 61.300 0.004 0.000 1.127 30 I CB 2.149 40.068 38.000 -0.135 0.000 1.304 30 I HN 0.411 nan 8.210 nan 0.000 0.446 31 E N 4.373 124.602 120.200 0.048 0.000 2.187 31 E HA 0.429 4.779 4.350 -0.000 0.000 0.268 31 E C -1.304 175.319 176.600 0.038 0.000 0.896 31 E CA -0.914 55.519 56.400 0.056 0.000 0.766 31 E CB 2.337 32.068 29.700 0.051 0.000 1.142 31 E HN 0.614 nan 8.360 nan 0.000 0.408 32 V N 5.160 125.103 119.914 0.048 0.000 2.450 32 V HA -0.043 4.077 4.120 -0.000 0.000 0.281 32 V C 0.974 177.100 176.094 0.054 0.000 1.019 32 V CA 0.652 62.983 62.300 0.051 0.000 1.062 32 V CB 0.625 32.494 31.823 0.076 0.000 0.979 32 V HN 0.840 nan 8.190 nan 0.000 0.477 33 E N 2.363 122.593 120.200 0.050 0.000 2.170 33 E HA 0.032 4.382 4.350 -0.000 0.000 0.191 33 E C 0.198 176.838 176.600 0.067 0.000 0.981 33 E CA 0.528 56.963 56.400 0.058 0.000 0.830 33 E CB 0.351 30.089 29.700 0.063 0.000 0.775 33 E HN 0.751 nan 8.360 nan 0.000 0.470 34 D N -0.788 119.657 120.400 0.076 0.000 2.599 34 D HA 0.197 4.837 4.640 -0.000 0.000 0.252 34 D C -1.959 174.387 176.300 0.077 0.000 1.232 34 D CA -0.562 53.483 54.000 0.075 0.000 0.819 34 D CB 2.030 42.882 40.800 0.087 0.000 1.401 34 D HN -0.205 nan 8.370 nan 0.000 0.429 35 D N 1.873 122.304 120.400 0.052 0.000 2.736 35 D HA 0.203 4.843 4.640 -0.000 0.000 0.243 35 D C 0.086 176.372 176.300 -0.023 0.000 1.304 35 D CA -0.398 53.625 54.000 0.038 0.000 0.934 35 D CB 1.447 42.279 40.800 0.053 0.000 1.382 35 D HN 0.100 nan 8.370 nan 0.000 0.571 36 L N 2.422 123.647 121.223 0.003 0.000 2.599 36 L HA 0.148 4.487 4.340 -0.000 0.000 0.230 36 L C 1.471 178.304 176.870 -0.062 0.000 1.141 36 L CA 0.579 55.408 54.840 -0.017 0.000 0.877 36 L CB -0.786 41.289 42.059 0.027 0.000 1.009 36 L HN 0.387 nan 8.230 nan 0.000 0.447 37 T N -1.158 113.329 114.554 -0.112 0.000 2.788 37 T HA 0.262 4.612 4.350 -0.000 0.000 0.280 37 T C 0.189 174.724 174.700 -0.274 0.000 0.984 37 T CA -0.166 61.845 62.100 -0.149 0.000 0.972 37 T CB 0.677 69.477 68.868 -0.114 0.000 1.039 37 T HN 0.084 nan 8.240 nan 0.000 0.530 38 T N 2.878 117.305 114.554 -0.212 0.000 2.864 38 T HA 0.361 4.711 4.350 -0.000 0.000 0.310 38 T C -0.899 173.719 174.700 -0.137 0.000 1.040 38 T CA -0.206 61.776 62.100 -0.197 0.000 0.977 38 T CB -0.185 68.634 68.868 -0.082 0.000 0.976 38 T HN 0.521 nan 8.240 nan 0.000 0.459 39 Y N 1.951 122.226 120.300 -0.042 0.000 2.865 39 Y HA 0.207 4.757 4.550 -0.000 0.000 0.338 39 Y C 1.745 177.621 175.900 -0.039 0.000 1.269 39 Y CA 0.978 59.045 58.100 -0.055 0.000 1.585 39 Y CB 0.116 38.524 38.460 -0.087 0.000 1.224 39 Y HN 1.020 nan 8.280 nan 0.000 0.554 40 G N 2.060 110.929 108.800 0.115 0.000 2.238 40 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 40 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 40 G C 0.536 175.448 174.900 0.020 0.000 0.996 40 G CA -0.087 45.049 45.100 0.059 0.000 0.632 40 G HN 0.550 nan 8.290 nan 0.000 0.503 41 E N 1.070 121.270 120.200 0.001 0.000 2.558 41 E HA 0.239 4.589 4.350 -0.000 0.000 0.205 41 E C 0.189 176.784 176.600 -0.009 0.000 1.006 41 E CA -0.031 56.370 56.400 0.002 0.000 0.961 41 E CB 0.518 30.221 29.700 0.004 0.000 1.044 41 E HN 0.671 nan 8.360 nan 0.000 0.465 42 E N 0.889 121.050 120.200 -0.064 0.000 2.392 42 E HA 0.070 4.420 4.350 -0.000 0.000 0.264 42 E C 0.175 176.817 176.600 0.069 0.000 1.024 42 E CA -0.128 56.243 56.400 -0.048 0.000 0.903 42 E CB 0.914 30.443 29.700 -0.285 0.000 0.963 42 E HN -0.069 nan 8.360 nan 0.000 0.432 43 V N 0.062 120.040 119.914 0.107 0.000 2.481 43 V HA 0.532 4.652 4.120 -0.000 0.000 0.286 43 V C -0.052 176.152 176.094 0.184 0.000 1.042 43 V CA -0.624 61.756 62.300 0.133 0.000 0.928 43 V CB 1.161 33.049 31.823 0.108 0.000 0.986 43 V HN 0.497 nan 8.190 nan 0.000 0.462 44 K N 3.389 123.900 120.400 0.184 0.000 2.464 44 K HA 0.563 4.883 4.320 -0.000 0.000 0.253 44 K C -1.867 174.834 176.600 0.168 0.000 0.933 44 K CA -0.653 55.740 56.287 0.176 0.000 0.801 44 K CB 2.645 35.236 32.500 0.153 0.000 1.271 44 K HN 0.749 nan 8.250 nan 0.000 0.430 45 F N 1.502 121.473 119.950 0.035 0.000 2.443 45 F HA 0.707 5.234 4.527 -0.000 0.000 0.335 45 F C 0.144 175.948 175.800 0.008 0.000 1.104 45 F CA 0.312 58.324 58.000 0.021 0.000 1.013 45 F CB 1.608 40.618 39.000 0.017 0.000 1.136 45 F HN 0.659 nan 8.300 nan 0.000 0.470 46 G N 2.576 110.730 108.800 -1.075 0.000 2.356 46 G HA2 0.363 4.323 3.960 -0.000 0.000 0.300 46 G HA3 0.363 4.323 3.960 -0.000 0.000 0.300 46 G C -0.829 173.775 174.900 -0.493 0.000 1.331 46 G CA -0.482 44.139 45.100 -0.798 0.000 0.905 46 G HN 1.030 nan 8.290 nan 0.000 0.587 47 G N -0.790 107.822 108.800 -0.314 0.000 2.299 47 G HA2 0.545 4.505 3.960 -0.000 0.000 0.256 47 G HA3 0.545 4.505 3.960 -0.000 0.000 0.256 47 G C 1.435 176.253 174.900 -0.137 0.000 1.259 47 G CA 1.730 46.717 45.100 -0.189 0.000 0.943 47 G HN 2.435 nan 8.290 nan 0.000 0.479 48 G N 1.614 110.350 108.800 -0.105 0.000 2.155 48 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 48 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 48 G C 0.797 175.663 174.900 -0.057 0.000 0.983 48 G CA 0.819 45.880 45.100 -0.065 0.000 0.676 48 G HN 0.726 nan 8.290 nan 0.000 0.528 49 K N -0.604 119.744 120.400 -0.087 0.000 2.761 49 K HA 0.594 4.914 4.320 -0.000 0.000 0.286 49 K C 1.899 178.497 176.600 -0.002 0.000 1.019 49 K CA 0.034 56.291 56.287 -0.049 0.000 1.070 49 K CB -0.103 32.346 32.500 -0.087 0.000 1.387 49 K HN 0.062 nan 8.250 nan 0.000 0.509 50 V N 0.695 120.634 119.914 0.041 0.000 2.407 50 V HA -0.068 4.052 4.120 -0.000 0.000 0.245 50 V C 1.455 177.595 176.094 0.077 0.000 1.041 50 V CA 1.116 63.455 62.300 0.065 0.000 1.040 50 V CB -0.327 31.551 31.823 0.092 0.000 0.671 50 V HN 0.457 nan 8.190 nan 0.000 0.455 51 I N 2.435 123.076 120.570 0.119 0.000 2.501 51 I HA 0.146 4.316 4.170 -0.000 0.000 0.305 51 I C 0.393 176.599 176.117 0.149 0.000 1.197 51 I CA 0.675 62.069 61.300 0.158 0.000 1.793 51 I CB -0.776 37.375 38.000 0.251 0.000 1.521 51 I HN 0.243 nan 8.210 nan 0.000 0.843 52 R N 2.170 122.721 120.500 0.086 0.000 2.808 52 R HA 0.275 4.615 4.340 -0.000 0.000 0.272 52 R C -0.843 175.486 176.300 0.048 0.000 0.995 52 R CA -1.206 54.933 56.100 0.065 0.000 0.917 52 R CB 1.688 32.008 30.300 0.034 0.000 1.217 52 R HN 0.206 nan 8.270 nan 0.000 0.471 53 D N 0.364 120.787 120.400 0.039 0.000 2.581 53 D HA 0.033 4.673 4.640 -0.000 0.000 0.238 53 D C 1.197 177.511 176.300 0.023 0.000 1.145 53 D CA 2.546 56.562 54.000 0.028 0.000 0.866 53 D CB 0.362 41.175 40.800 0.022 0.000 1.151 53 D HN 0.690 nan 8.370 nan 0.000 0.500 54 G N 2.769 111.582 108.800 0.021 0.000 2.267 54 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.257 54 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.257 54 G C 0.820 175.733 174.900 0.022 0.000 0.998 54 G CA 0.896 46.008 45.100 0.019 0.000 0.620 54 G HN 0.523 nan 8.290 nan 0.000 0.529 55 M N -0.678 118.938 119.600 0.027 0.000 2.209 55 M HA 0.465 4.945 4.480 -0.000 0.000 0.195 55 M C 2.481 178.803 176.300 0.037 0.000 1.518 55 M CA 0.951 56.269 55.300 0.031 0.000 1.747 55 M CB -0.375 32.244 32.600 0.032 0.000 1.021 55 M HN 0.126 nan 8.290 nan 0.000 0.829 56 G N -0.002 108.826 108.800 0.047 0.000 2.679 56 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.212 56 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.212 56 G C 0.413 175.342 174.900 0.049 0.000 1.137 56 G CA 0.131 45.263 45.100 0.053 0.000 0.787 56 G HN 0.474 nan 8.290 nan 0.000 0.534 57 Q N 0.121 119.948 119.800 0.045 0.000 2.331 57 Q HA 0.556 4.896 4.340 -0.000 0.000 0.267 57 Q C 0.210 176.224 176.000 0.024 0.000 1.006 57 Q CA -0.663 55.162 55.803 0.036 0.000 0.818 57 Q CB 1.609 30.373 28.738 0.044 0.000 1.276 57 Q HN 0.136 nan 8.270 nan 0.000 0.450 58 G N 1.346 110.155 108.800 0.015 0.000 2.532 58 G HA2 0.122 4.082 3.960 -0.000 0.000 0.291 58 G HA3 0.122 4.082 3.960 -0.000 0.000 0.291 58 G C 0.050 174.953 174.900 0.005 0.000 1.349 58 G CA -0.221 44.885 45.100 0.010 0.000 1.038 58 G HN 0.669 nan 8.290 nan 0.000 0.518 59 Q N -0.079 119.723 119.800 0.004 0.000 2.247 59 Q HA 0.097 4.437 4.340 -0.000 0.000 0.204 59 Q C 1.033 177.031 176.000 -0.003 0.000 0.872 59 Q CA -0.274 55.530 55.803 0.001 0.000 0.951 59 Q CB 0.173 28.913 28.738 0.003 0.000 1.099 59 Q HN 0.638 nan 8.270 nan 0.000 0.501 60 M N -0.629 118.967 119.600 -0.007 0.000 2.240 60 M HA 0.258 4.738 4.480 -0.000 0.000 0.333 60 M C 0.004 176.293 176.300 -0.018 0.000 1.110 60 M CA -0.107 55.186 55.300 -0.011 0.000 1.173 60 M CB 0.234 32.827 32.600 -0.013 0.000 1.458 60 M HN -0.097 nan 8.290 nan 0.000 0.458 61 L N 2.158 123.370 121.223 -0.017 0.000 2.476 61 L HA 0.257 4.597 4.340 -0.000 0.000 0.255 61 L C 1.914 178.764 176.870 -0.033 0.000 1.218 61 L CA -0.137 54.690 54.840 -0.021 0.000 0.819 61 L CB 0.306 42.355 42.059 -0.015 0.000 1.119 61 L HN 1.021 nan 8.230 nan 0.000 0.485 62 A N 1.543 124.341 122.820 -0.036 0.000 1.927 62 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 62 A C 2.258 179.807 177.584 -0.058 0.000 1.185 62 A CA 2.125 54.132 52.037 -0.049 0.000 0.639 62 A CB -0.871 18.102 19.000 -0.044 0.000 0.820 62 A HN 0.912 nan 8.150 nan 0.000 0.451 63 A N -0.898 121.899 122.820 -0.039 0.000 2.070 63 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 63 A C 1.326 178.885 177.584 -0.041 0.000 1.159 63 A CA 1.648 53.665 52.037 -0.032 0.000 0.656 63 A CB -0.285 18.709 19.000 -0.011 0.000 0.800 63 A HN 0.481 nan 8.150 nan 0.000 0.453 64 D N -1.041 119.331 120.400 -0.046 0.000 2.402 64 D HA 0.204 4.844 4.640 -0.000 0.000 0.216 64 D C 0.220 176.468 176.300 -0.086 0.000 1.128 64 D CA 0.573 54.547 54.000 -0.042 0.000 0.833 64 D CB -0.020 40.772 40.800 -0.014 0.000 0.971 64 D HN 0.610 nan 8.370 nan 0.000 0.503 65 C N -1.215 118.001 119.300 -0.140 0.000 3.171 65 C HA 0.771 5.231 4.460 -0.000 0.000 0.308 65 C C 0.308 175.130 174.990 -0.280 0.000 1.334 65 C CA -1.184 57.724 59.018 -0.184 0.000 1.473 65 C CB 1.088 28.764 27.740 -0.107 0.000 1.866 65 C HN 0.004 nan 8.230 nan 0.000 0.465 66 V N -0.051 119.673 119.914 -0.317 0.000 2.953 66 V HA 0.423 4.543 4.120 -0.000 0.000 0.304 66 V C 0.510 176.504 176.094 -0.168 0.000 1.073 66 V CA 0.418 62.526 62.300 -0.321 0.000 1.064 66 V CB 0.699 32.351 31.823 -0.285 0.000 1.047 66 V HN 0.909 nan 8.190 nan 0.000 0.478 67 D N 0.762 121.086 120.400 -0.127 0.000 2.249 67 D HA 0.179 4.819 4.640 -0.000 0.000 0.205 67 D C 0.178 176.435 176.300 -0.071 0.000 0.962 67 D CA 1.160 55.108 54.000 -0.085 0.000 0.860 67 D CB 0.644 41.407 40.800 -0.061 0.000 0.955 67 D HN 0.495 nan 8.370 nan 0.000 0.505 68 L N 0.156 121.345 121.223 -0.057 0.000 2.482 68 L HA 0.463 4.803 4.340 -0.000 0.000 0.263 68 L C -1.722 175.138 176.870 -0.017 0.000 0.957 68 L CA -0.835 53.982 54.840 -0.040 0.000 0.836 68 L CB 2.586 44.633 42.059 -0.019 0.000 1.324 68 L HN -0.280 nan 8.230 nan 0.000 0.406 69 V N 5.761 125.665 119.914 -0.016 0.000 2.588 69 V HA 0.616 4.736 4.120 -0.000 0.000 0.304 69 V C -1.296 174.813 176.094 0.025 0.000 1.042 69 V CA -0.470 61.840 62.300 0.016 0.000 0.877 69 V CB 1.984 33.817 31.823 0.017 0.000 0.996 69 V HN 0.726 nan 8.190 nan 0.000 0.425 70 L N 6.598 127.854 121.223 0.054 0.000 2.264 70 L HA 0.492 4.832 4.340 -0.000 0.000 0.287 70 L C 0.679 177.598 176.870 0.082 0.000 1.039 70 L CA 0.102 54.980 54.840 0.063 0.000 0.829 70 L CB 1.637 43.742 42.059 0.077 0.000 1.211 70 L HN 0.859 nan 8.230 nan 0.000 0.427 71 T N -0.198 114.405 114.554 0.082 0.000 2.869 71 T HA 0.234 4.584 4.350 -0.000 0.000 0.295 71 T C 0.639 175.411 174.700 0.120 0.000 0.987 71 T CA -0.646 61.516 62.100 0.104 0.000 1.109 71 T CB 0.467 69.404 68.868 0.116 0.000 0.932 71 T HN 0.613 nan 8.240 nan 0.000 0.518 72 N N 0.057 118.837 118.700 0.133 0.000 2.725 72 N HA -0.159 4.581 4.740 -0.000 0.000 0.251 72 N C 0.046 175.640 175.510 0.138 0.000 1.031 72 N CA 0.839 53.979 53.050 0.150 0.000 0.720 72 N CB -1.684 36.915 38.487 0.187 0.000 0.930 72 N HN 1.124 nan 8.380 nan 0.000 0.543 73 A N 0.183 123.081 122.820 0.129 0.000 2.354 73 A HA 0.509 4.829 4.320 -0.000 0.000 0.269 73 A C 0.491 178.150 177.584 0.125 0.000 1.109 73 A CA -0.475 51.639 52.037 0.128 0.000 0.800 73 A CB 0.705 19.783 19.000 0.130 0.000 1.045 73 A HN 0.314 nan 8.150 nan 0.000 0.489 74 L N 4.300 125.593 121.223 0.116 0.000 2.270 74 L HA 0.445 4.785 4.340 -0.000 0.000 0.286 74 L C -0.450 176.463 176.870 0.072 0.000 1.059 74 L CA -0.181 54.712 54.840 0.088 0.000 0.839 74 L CB -0.212 41.889 42.059 0.069 0.000 1.221 74 L HN 0.551 nan 8.230 nan 0.000 0.431 75 I N 5.389 125.991 120.570 0.052 0.000 2.441 75 I HA 0.216 4.386 4.170 -0.000 0.000 0.287 75 I C -0.355 175.692 176.117 -0.116 0.000 1.049 75 I CA -0.413 60.891 61.300 0.006 0.000 1.381 75 I CB 1.153 39.162 38.000 0.014 0.000 1.409 75 I HN 0.242 nan 8.210 nan 0.000 0.523 76 V N 5.991 125.851 119.914 -0.091 0.000 2.376 76 V HA 0.434 4.554 4.120 -0.000 0.000 0.287 76 V C -0.519 175.473 176.094 -0.170 0.000 1.015 76 V CA -0.278 61.934 62.300 -0.146 0.000 0.834 76 V CB 1.563 33.331 31.823 -0.091 0.000 1.001 76 V HN 0.700 nan 8.190 nan 0.000 0.428 77 D N 0.909 121.072 120.400 -0.396 0.000 2.626 77 D HA 0.283 4.923 4.640 -0.000 0.000 0.278 77 D C 0.799 176.860 176.300 -0.398 0.000 1.211 77 D CA -0.392 53.352 54.000 -0.425 0.000 0.903 77 D CB 1.452 41.778 40.800 -0.790 0.000 1.408 77 D HN 0.682 nan 8.370 nan 0.000 0.454 78 H N -0.153 118.826 119.070 -0.152 0.000 2.457 78 H HA -0.049 4.507 4.556 -0.000 0.000 0.297 78 H C 1.415 176.850 175.328 0.179 0.000 1.092 78 H CA 1.823 57.907 56.048 0.061 0.000 1.309 78 H CB -0.304 29.522 29.762 0.105 0.000 1.382 78 H HN 0.502 nan 8.280 nan 0.000 0.535 79 W N 0.433 121.523 121.300 -0.350 0.000 3.077 79 W HA 0.583 5.243 4.660 -0.000 0.000 0.266 79 W C -0.157 176.358 176.519 -0.008 0.000 1.300 79 W CA 0.160 57.419 57.345 -0.143 0.000 1.586 79 W CB 0.173 29.462 29.460 -0.285 0.000 1.103 79 W HN 0.398 nan 8.180 nan 0.000 0.652 80 G N 0.950 109.509 108.800 -0.403 0.000 2.325 80 G HA2 0.384 4.344 3.960 -0.000 0.000 0.297 80 G HA3 0.384 4.344 3.960 -0.000 0.000 0.297 80 G C -2.009 172.626 174.900 -0.440 0.000 1.448 80 G CA -1.070 43.884 45.100 -0.243 0.000 0.838 80 G HN 0.056 nan 8.290 nan 0.000 0.579 81 I N 1.609 122.066 120.570 -0.188 0.000 2.502 81 I HA 0.452 4.622 4.170 -0.000 0.000 0.276 81 I C 0.173 176.258 176.117 -0.054 0.000 1.057 81 I CA -0.933 60.276 61.300 -0.150 0.000 1.163 81 I CB 1.268 39.211 38.000 -0.095 0.000 1.288 81 I HN 0.560 nan 8.210 nan 0.000 0.479 82 V N 2.212 122.102 119.914 -0.041 0.000 3.040 82 V HA 0.661 4.781 4.120 -0.000 0.000 0.312 82 V C -0.661 175.485 176.094 0.087 0.000 1.115 82 V CA -1.026 61.314 62.300 0.067 0.000 0.998 82 V CB 2.238 34.164 31.823 0.171 0.000 1.042 82 V HN 0.514 nan 8.190 nan 0.000 0.433 83 K N 2.030 122.493 120.400 0.106 0.000 2.211 83 K HA 0.902 5.222 4.320 -0.000 0.000 0.275 83 K C -0.430 176.243 176.600 0.121 0.000 1.024 83 K CA 0.683 57.042 56.287 0.119 0.000 0.887 83 K CB 0.912 33.493 32.500 0.135 0.000 1.084 83 K HN 1.636 nan 8.250 nan 0.000 0.463 84 A N 3.210 126.106 122.820 0.128 0.000 2.566 84 A HA 0.416 4.736 4.320 -0.000 0.000 0.290 84 A C -1.743 175.914 177.584 0.122 0.000 1.071 84 A CA -0.956 51.153 52.037 0.120 0.000 0.658 84 A CB 0.782 19.867 19.000 0.141 0.000 1.285 84 A HN 0.660 nan 8.150 nan 0.000 0.427 85 D N 0.460 120.925 120.400 0.109 0.000 2.225 85 D HA 0.610 5.250 4.640 -0.000 0.000 0.249 85 D C -0.568 175.804 176.300 0.120 0.000 1.052 85 D CA 0.312 54.377 54.000 0.109 0.000 0.909 85 D CB 1.435 42.292 40.800 0.095 0.000 1.186 85 D HN 0.435 nan 8.370 nan 0.000 0.431 86 I N 0.749 121.392 120.570 0.121 0.000 2.406 86 I HA 0.384 4.554 4.170 -0.000 0.000 0.290 86 I C 0.672 176.867 176.117 0.130 0.000 0.999 86 I CA -0.815 60.566 61.300 0.135 0.000 1.124 86 I CB 2.099 40.182 38.000 0.139 0.000 1.289 86 I HN 0.192 nan 8.210 nan 0.000 0.441 87 G N 5.293 114.197 108.800 0.173 0.000 2.356 87 G HA2 0.621 4.581 3.960 -0.000 0.000 0.322 87 G HA3 0.621 4.581 3.960 -0.000 0.000 0.322 87 G C -0.994 174.026 174.900 0.200 0.000 1.125 87 G CA -0.360 44.849 45.100 0.181 0.000 0.885 87 G HN 0.339 nan 8.290 nan 0.000 0.467 88 V N 2.078 122.057 119.914 0.108 0.000 2.531 88 V HA 0.596 4.716 4.120 -0.000 0.000 0.301 88 V C -0.138 175.980 176.094 0.039 0.000 1.034 88 V CA -0.820 61.544 62.300 0.106 0.000 0.865 88 V CB 1.777 33.645 31.823 0.075 0.000 0.995 88 V HN 0.795 nan 8.190 nan 0.000 0.424 89 K N 3.091 123.537 120.400 0.078 0.000 2.482 89 K HA 0.398 4.718 4.320 -0.000 0.000 0.251 89 K C -0.656 175.985 176.600 0.068 0.000 0.936 89 K CA -0.491 55.802 56.287 0.009 0.000 0.791 89 K CB 1.409 33.852 32.500 -0.094 0.000 1.213 89 K HN 0.713 nan 8.250 nan 0.000 0.428 90 D N 3.029 123.456 120.400 0.046 0.000 2.837 90 D HA -0.184 4.456 4.640 -0.000 0.000 0.230 90 D C 0.567 176.925 176.300 0.097 0.000 1.152 90 D CA 1.764 55.809 54.000 0.076 0.000 0.736 90 D CB -1.051 39.797 40.800 0.080 0.000 1.084 90 D HN 1.113 nan 8.370 nan 0.000 0.429 91 G N -0.389 108.464 108.800 0.088 0.000 2.162 91 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.260 91 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.260 91 G C 0.358 175.310 174.900 0.086 0.000 0.976 91 G CA 0.806 45.961 45.100 0.092 0.000 0.655 91 G HN 0.535 nan 8.290 nan 0.000 0.533 92 R N -0.965 119.593 120.500 0.098 0.000 2.854 92 R HA 0.644 4.984 4.340 -0.000 0.000 0.271 92 R C 0.104 176.484 176.300 0.134 0.000 0.994 92 R CA -1.194 54.969 56.100 0.105 0.000 0.945 92 R CB 1.366 31.725 30.300 0.098 0.000 1.194 92 R HN 0.157 nan 8.270 nan 0.000 0.476 93 I N 2.531 123.176 120.570 0.125 0.000 2.505 93 I HA -0.072 4.098 4.170 -0.000 0.000 0.287 93 I C 0.913 177.121 176.117 0.151 0.000 1.104 93 I CA 0.357 61.740 61.300 0.139 0.000 1.387 93 I CB 0.246 38.315 38.000 0.116 0.000 1.404 93 I HN 0.613 nan 8.210 nan 0.000 0.528 94 F N 6.986 126.959 119.950 0.038 0.000 2.220 94 F HA 0.421 4.948 4.527 -0.000 0.000 0.290 94 F C 1.007 176.819 175.800 0.019 0.000 1.080 94 F CA 0.740 58.756 58.000 0.027 0.000 1.318 94 F CB 0.315 39.330 39.000 0.025 0.000 1.063 94 F HN 0.463 nan 8.300 nan 0.000 0.498 95 A N -0.226 122.634 122.820 0.066 0.000 2.601 95 A HA 0.605 4.925 4.320 -0.000 0.000 0.291 95 A C -1.681 175.947 177.584 0.074 0.000 1.075 95 A CA -0.576 51.434 52.037 -0.046 0.000 0.671 95 A CB 0.516 19.469 19.000 -0.077 0.000 1.277 95 A HN 0.108 nan 8.150 nan 0.000 0.417 96 I N 1.299 121.887 120.570 0.029 0.000 2.439 96 I HA 0.636 4.806 4.170 -0.000 0.000 0.283 96 I C 0.665 176.814 176.117 0.053 0.000 1.023 96 I CA 0.330 61.675 61.300 0.075 0.000 1.100 96 I CB 1.738 39.785 38.000 0.078 0.000 1.238 96 I HN 1.107 nan 8.210 nan 0.000 0.445 97 G N 5.328 114.174 108.800 0.077 0.000 2.818 97 G HA2 0.223 4.183 3.960 -0.000 0.000 0.109 97 G HA3 0.223 4.183 3.960 -0.000 0.000 0.109 97 G C -1.486 173.449 174.900 0.059 0.000 1.206 97 G CA -0.357 44.776 45.100 0.055 0.000 1.243 97 G HN 0.280 nan 8.290 nan 0.000 0.609 98 K N 1.136 121.566 120.400 0.050 0.000 2.450 98 K HA 0.718 5.038 4.320 -0.000 0.000 0.257 98 K C -0.420 176.214 176.600 0.056 0.000 0.953 98 K CA -0.287 56.025 56.287 0.042 0.000 0.844 98 K CB 1.240 33.749 32.500 0.017 0.000 1.103 98 K HN 0.753 nan 8.250 nan 0.000 0.429 99 A N 2.411 125.268 122.820 0.062 0.000 2.279 99 A HA 0.868 5.188 4.320 -0.000 0.000 0.303 99 A C 0.332 177.947 177.584 0.052 0.000 1.108 99 A CA 0.379 52.454 52.037 0.063 0.000 0.830 99 A CB 0.926 19.966 19.000 0.067 0.000 1.106 99 A HN 0.897 nan 8.150 nan 0.000 0.493 100 G N 0.127 108.955 108.800 0.046 0.000 2.373 100 G HA2 0.285 4.245 3.960 -0.000 0.000 0.250 100 G HA3 0.285 4.245 3.960 -0.000 0.000 0.250 100 G C -1.540 173.380 174.900 0.033 0.000 1.304 100 G CA -0.243 44.882 45.100 0.042 0.000 0.948 100 G HN 1.075 nan 8.290 nan 0.000 0.474 101 N N 0.916 119.635 118.700 0.031 0.000 2.479 101 N HA 0.607 5.347 4.740 -0.000 0.000 0.261 101 N C -1.726 173.798 175.510 0.024 0.000 0.979 101 N CA -2.267 50.798 53.050 0.025 0.000 0.930 101 N CB 2.492 40.994 38.487 0.025 0.000 1.172 101 N HN 0.017 nan 8.380 nan 0.000 0.499 102 P HA -0.048 nan 4.420 nan 0.000 0.223 102 P C 0.248 177.559 177.300 0.018 0.000 1.144 102 P CA 0.862 63.975 63.100 0.022 0.000 0.783 102 P CB 0.439 32.153 31.700 0.023 0.000 0.771 103 D N -0.805 119.606 120.400 0.017 0.000 2.178 103 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 103 D C 1.653 177.963 176.300 0.016 0.000 0.974 103 D CA 1.189 55.198 54.000 0.015 0.000 0.841 103 D CB -0.117 40.692 40.800 0.014 0.000 0.953 103 D HN 0.358 nan 8.370 nan 0.000 0.478 104 I N -3.826 116.754 120.570 0.018 0.000 4.655 104 I HA 0.238 4.408 4.170 -0.000 0.000 0.333 104 I C 0.006 176.134 176.117 0.020 0.000 1.312 104 I CA -0.418 60.893 61.300 0.018 0.000 1.270 104 I CB 0.402 38.414 38.000 0.020 0.000 1.318 104 I HN -0.321 nan 8.210 nan 0.000 0.456 105 Q N 3.385 123.197 119.800 0.020 0.000 2.301 105 Q HA 0.568 4.908 4.340 -0.000 0.000 0.267 105 Q C -2.573 173.436 176.000 0.016 0.000 1.035 105 Q CA -2.001 53.814 55.803 0.020 0.000 0.856 105 Q CB 2.121 30.873 28.738 0.023 0.000 1.337 105 Q HN 0.095 nan 8.270 nan 0.000 0.450 106 P HA 0.169 nan 4.420 nan 0.000 0.282 106 P C -1.050 176.253 177.300 0.005 0.000 1.259 106 P CA -0.293 62.812 63.100 0.007 0.000 0.826 106 P CB 0.685 32.387 31.700 0.003 0.000 1.064 107 N N -1.746 116.956 118.700 0.004 0.000 2.708 107 N HA -0.131 4.609 4.740 -0.000 0.000 0.249 107 N C -0.381 175.136 175.510 0.012 0.000 1.097 107 N CA 0.180 53.231 53.050 0.003 0.000 0.710 107 N CB -1.725 36.756 38.487 -0.011 0.000 1.032 107 N HN 0.156 nan 8.380 nan 0.000 0.551 108 V N 0.931 120.858 119.914 0.021 0.000 2.470 108 V HA 0.130 4.250 4.120 -0.000 0.000 0.276 108 V C 1.690 177.813 176.094 0.047 0.000 1.040 108 V CA 0.982 63.302 62.300 0.034 0.000 1.008 108 V CB 1.114 32.958 31.823 0.035 0.000 0.990 108 V HN 0.508 nan 8.190 nan 0.000 0.477 109 T N 1.645 116.236 114.554 0.061 0.000 2.985 109 T HA 0.384 4.734 4.350 -0.000 0.000 0.254 109 T C 0.312 175.110 174.700 0.162 0.000 1.021 109 T CA 0.195 62.346 62.100 0.084 0.000 0.957 109 T CB 0.100 69.000 68.868 0.052 0.000 1.047 109 T HN 0.352 nan 8.240 nan 0.000 0.511 110 I N 3.848 124.504 120.570 0.144 0.000 2.537 110 I HA 0.356 4.526 4.170 -0.000 0.000 0.276 110 I C -2.686 173.476 176.117 0.074 0.000 1.063 110 I CA -2.694 58.709 61.300 0.172 0.000 1.144 110 I CB 2.009 40.107 38.000 0.164 0.000 1.252 110 I HN -0.059 nan 8.210 nan 0.000 0.480 111 P HA 0.210 nan 4.420 nan 0.000 0.271 111 P C -0.515 176.764 177.300 -0.036 0.000 1.226 111 P CA 0.219 63.319 63.100 0.000 0.000 0.765 111 P CB 1.197 32.893 31.700 -0.007 0.000 0.835 112 I N 2.758 123.320 120.570 -0.014 0.000 2.354 112 I HA 0.542 4.712 4.170 -0.000 0.000 0.292 112 I C 1.038 177.144 176.117 -0.017 0.000 0.989 112 I CA -0.136 61.152 61.300 -0.019 0.000 1.188 112 I CB 1.877 39.881 38.000 0.007 0.000 1.342 112 I HN 0.432 nan 8.210 nan 0.000 0.457 113 G N 2.880 111.661 108.800 -0.031 0.000 3.086 113 G HA2 0.543 4.503 3.960 -0.000 0.000 0.282 113 G HA3 0.543 4.503 3.960 -0.000 0.000 0.282 113 G C 0.548 175.434 174.900 -0.024 0.000 1.343 113 G CA 0.053 45.139 45.100 -0.023 0.000 0.895 113 G HN 0.601 nan 8.290 nan 0.000 0.557 114 A N -0.747 122.061 122.820 -0.020 0.000 1.978 114 A HA 0.224 4.544 4.320 -0.000 0.000 0.220 114 A C 2.340 179.902 177.584 -0.036 0.000 1.170 114 A CA 2.585 54.609 52.037 -0.021 0.000 0.636 114 A CB -0.636 18.354 19.000 -0.017 0.000 0.810 114 A HN 1.539 nan 8.150 nan 0.000 0.448 115 A N -0.785 122.008 122.820 -0.045 0.000 2.259 115 A HA 0.341 4.661 4.320 -0.000 0.000 0.208 115 A C 0.731 178.273 177.584 -0.070 0.000 1.201 115 A CA 0.608 52.611 52.037 -0.057 0.000 0.824 115 A CB -0.519 18.446 19.000 -0.059 0.000 0.838 115 A HN 0.282 nan 8.150 nan 0.000 0.485 116 T N 0.844 115.357 114.554 -0.069 0.000 2.767 116 T HA 0.432 4.782 4.350 -0.000 0.000 0.284 116 T C -0.307 174.333 174.700 -0.100 0.000 0.973 116 T CA -0.349 61.703 62.100 -0.079 0.000 0.996 116 T CB 1.510 70.337 68.868 -0.068 0.000 0.927 116 T HN 0.453 nan 8.240 nan 0.000 0.456 117 E N 2.414 122.548 120.200 -0.110 0.000 2.283 117 E HA 0.539 4.889 4.350 -0.000 0.000 0.271 117 E C -1.203 175.299 176.600 -0.163 0.000 1.031 117 E CA -0.655 55.656 56.400 -0.149 0.000 0.868 117 E CB 0.934 30.561 29.700 -0.121 0.000 1.094 117 E HN 0.324 nan 8.360 nan 0.000 0.401 118 V N 4.613 124.375 119.914 -0.254 0.000 2.656 118 V HA 0.455 4.575 4.120 -0.000 0.000 0.307 118 V C -0.273 175.714 176.094 -0.178 0.000 1.051 118 V CA -0.683 61.481 62.300 -0.227 0.000 0.893 118 V CB 1.609 33.225 31.823 -0.346 0.000 0.999 118 V HN 0.674 nan 8.190 nan 0.000 0.426 119 I N 3.437 123.962 120.570 -0.074 0.000 2.418 119 I HA 0.587 4.757 4.170 -0.000 0.000 0.287 119 I C 0.407 176.534 176.117 0.016 0.000 1.008 119 I CA -0.649 60.633 61.300 -0.029 0.000 1.104 119 I CB 1.861 39.856 38.000 -0.009 0.000 1.264 119 I HN 0.718 nan 8.210 nan 0.000 0.438 120 A N 5.132 127.976 122.820 0.040 0.000 2.376 120 A HA 0.579 4.899 4.320 -0.000 0.000 0.298 120 A C 0.777 178.401 177.584 0.067 0.000 1.271 120 A CA -0.109 51.973 52.037 0.074 0.000 0.926 120 A CB 0.320 19.378 19.000 0.096 0.000 1.141 120 A HN 0.886 nan 8.150 nan 0.000 0.539 121 A N 2.920 125.788 122.820 0.079 0.000 2.465 121 A HA 0.270 4.590 4.320 -0.000 0.000 0.255 121 A C 0.690 178.332 177.584 0.096 0.000 1.274 121 A CA -0.245 51.844 52.037 0.087 0.000 0.920 121 A CB -0.122 18.936 19.000 0.095 0.000 1.033 121 A HN 0.815 nan 8.150 nan 0.000 0.516 122 E N 0.070 120.325 120.200 0.091 0.000 2.417 122 E HA 0.312 4.662 4.350 -0.000 0.000 0.261 122 E C 0.808 177.450 176.600 0.070 0.000 1.000 122 E CA 0.496 56.949 56.400 0.089 0.000 0.919 122 E CB 0.202 29.943 29.700 0.068 0.000 0.955 122 E HN 0.904 nan 8.360 nan 0.000 0.455 123 G N 2.800 111.650 108.800 0.082 0.000 2.176 123 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.253 123 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.253 123 G C -0.042 174.915 174.900 0.095 0.000 0.979 123 G CA 0.257 45.402 45.100 0.075 0.000 0.641 123 G HN 0.479 nan 8.290 nan 0.000 0.530 124 K N -0.217 120.250 120.400 0.112 0.000 2.281 124 K HA 0.762 5.082 4.320 -0.000 0.000 0.242 124 K C -0.055 176.643 176.600 0.164 0.000 0.971 124 K CA -0.893 55.483 56.287 0.148 0.000 0.834 124 K CB 2.026 34.610 32.500 0.141 0.000 1.181 124 K HN 0.198 nan 8.250 nan 0.000 0.435 125 I N 1.375 122.087 120.570 0.237 0.000 2.377 125 I HA 0.271 4.441 4.170 -0.000 0.000 0.293 125 I C -0.488 175.856 176.117 0.379 0.000 0.987 125 I CA -1.110 60.342 61.300 0.254 0.000 1.185 125 I CB 1.843 39.987 38.000 0.240 0.000 1.341 125 I HN 0.003 nan 8.210 nan 0.000 0.455 126 V N 4.741 124.830 119.914 0.291 0.000 2.495 126 V HA 0.581 4.701 4.120 -0.000 0.000 0.298 126 V C 0.095 176.376 176.094 0.311 0.000 1.031 126 V CA -0.376 62.097 62.300 0.288 0.000 0.871 126 V CB 1.920 33.856 31.823 0.188 0.000 0.988 126 V HN 0.902 nan 8.190 nan 0.000 0.432 127 T N 1.649 116.438 114.554 0.392 0.000 2.901 127 T HA 0.868 5.218 4.350 -0.000 0.000 0.293 127 T C -0.077 174.808 174.700 0.310 0.000 1.084 127 T CA -0.327 61.999 62.100 0.377 0.000 1.008 127 T CB 1.946 71.154 68.868 0.567 0.000 1.170 127 T HN 0.998 nan 8.240 nan 0.000 0.509 128 A N 0.453 123.438 122.820 0.276 0.000 2.346 128 A HA 0.684 5.004 4.320 -0.000 0.000 0.252 128 A C 0.949 178.698 177.584 0.276 0.000 1.089 128 A CA -0.118 52.065 52.037 0.242 0.000 0.797 128 A CB -0.672 18.462 19.000 0.223 0.000 1.047 128 A HN 1.379 nan 8.150 nan 0.000 0.494 129 G N -0.453 108.480 108.800 0.223 0.000 2.467 129 G HA2 0.487 4.447 3.960 -0.000 0.000 0.257 129 G HA3 0.487 4.447 3.960 -0.000 0.000 0.257 129 G C 0.512 175.573 174.900 0.268 0.000 1.227 129 G CA 0.162 45.395 45.100 0.220 0.000 0.835 129 G HN 1.133 nan 8.290 nan 0.000 0.556 130 G N -0.647 108.335 108.800 0.304 0.000 2.636 130 G HA2 0.451 4.411 3.960 -0.000 0.000 0.246 130 G HA3 0.451 4.411 3.960 -0.000 0.000 0.246 130 G C -0.328 174.704 174.900 0.220 0.000 1.216 130 G CA -0.500 44.813 45.100 0.354 0.000 0.854 130 G HN 0.630 nan 8.290 nan 0.000 0.572 131 I N 0.947 121.642 120.570 0.208 0.000 2.468 131 I HA 0.167 4.337 4.170 -0.000 0.000 0.284 131 I C -1.257 174.915 176.117 0.091 0.000 1.038 131 I CA -0.704 60.674 61.300 0.129 0.000 1.083 131 I CB 2.050 40.115 38.000 0.109 0.000 1.223 131 I HN 0.309 nan 8.210 nan 0.000 0.443 132 D N 4.287 124.712 120.400 0.041 0.000 2.280 132 D HA 0.243 4.883 4.640 -0.000 0.000 0.236 132 D C 0.865 177.134 176.300 -0.051 0.000 1.082 132 D CA -0.172 53.820 54.000 -0.013 0.000 0.834 132 D CB 1.626 42.392 40.800 -0.056 0.000 1.100 132 D HN 0.614 nan 8.370 nan 0.000 0.486 133 T N 0.417 114.942 114.554 -0.048 0.000 3.092 133 T HA 0.420 4.770 4.350 -0.000 0.000 0.258 133 T C 0.648 175.275 174.700 -0.123 0.000 1.031 133 T CA -0.313 61.751 62.100 -0.061 0.000 0.925 133 T CB 0.321 69.242 68.868 0.088 0.000 1.036 133 T HN 0.276 nan 8.240 nan 0.000 0.544 134 A N 1.785 124.437 122.820 -0.280 0.000 3.105 134 A HA 0.593 4.913 4.320 -0.000 0.000 0.297 134 A C -0.080 177.342 177.584 -0.271 0.000 0.977 134 A CA -0.646 51.106 52.037 -0.474 0.000 1.020 134 A CB -0.172 18.377 19.000 -0.752 0.000 1.098 134 A HN 0.447 nan 8.150 nan 0.000 0.497 135 I N 1.559 121.955 120.570 -0.290 0.000 2.395 135 I HA 0.201 4.371 4.170 -0.000 0.000 0.289 135 I C -0.064 175.800 176.117 -0.420 0.000 1.023 135 I CA 0.000 61.048 61.300 -0.419 0.000 1.350 135 I CB 0.386 37.914 38.000 -0.785 0.000 1.409 135 I HN 0.376 nan 8.210 nan 0.000 0.507 136 H N 5.642 124.527 119.070 -0.309 0.000 2.597 136 H HA 0.125 4.681 4.556 -0.000 0.000 0.303 136 H C -0.755 174.476 175.328 -0.162 0.000 1.057 136 H CA -0.380 55.584 56.048 -0.141 0.000 1.261 136 H CB 0.670 30.416 29.762 -0.028 0.000 1.397 136 H HN 0.568 nan 8.280 nan 0.000 0.461 137 W N 5.238 126.607 121.300 0.117 0.000 1.564 137 W HA 0.135 4.795 4.660 -0.000 0.000 0.480 137 W C 0.989 177.546 176.519 0.064 0.000 0.699 137 W CA -0.296 57.093 57.345 0.073 0.000 1.985 137 W CB -0.293 29.191 29.460 0.040 0.000 1.738 137 W HN 0.640 nan 8.180 nan 0.000 0.218 138 I N 1.256 121.982 120.570 0.260 0.000 2.500 138 I HA -0.085 4.085 4.170 -0.000 0.000 0.252 138 I C 1.099 177.320 176.117 0.174 0.000 1.142 138 I CA 0.634 62.047 61.300 0.188 0.000 1.451 138 I CB -0.157 37.952 38.000 0.181 0.000 1.093 138 I HN 0.240 nan 8.210 nan 0.000 0.430 139 C N -2.290 117.134 119.300 0.206 0.000 3.239 139 C HA 0.379 4.839 4.460 -0.000 0.000 0.329 139 C C -2.002 173.120 174.990 0.220 0.000 1.252 139 C CA -1.337 57.782 59.018 0.168 0.000 1.323 139 C CB 1.238 29.047 27.740 0.115 0.000 1.663 139 C HN -0.050 nan 8.230 nan 0.000 0.487 140 P HA -0.052 nan 4.420 nan 0.000 0.226 140 P C 1.030 178.421 177.300 0.151 0.000 1.153 140 P CA 1.453 64.642 63.100 0.148 0.000 0.777 140 P CB 0.228 31.960 31.700 0.053 0.000 0.794 141 Q N 0.118 119.988 119.800 0.117 0.000 2.364 141 Q HA -0.115 4.225 4.340 -0.000 0.000 0.209 141 Q C 2.342 178.400 176.000 0.097 0.000 0.977 141 Q CA 1.218 57.074 55.803 0.089 0.000 0.885 141 Q CB -0.795 27.979 28.738 0.061 0.000 0.941 141 Q HN 0.435 nan 8.270 nan 0.000 0.464 142 Q N -0.516 119.365 119.800 0.134 0.000 2.170 142 Q HA -0.130 4.210 4.340 -0.000 0.000 0.203 142 Q C 1.958 178.030 176.000 0.119 0.000 0.976 142 Q CA 1.184 57.048 55.803 0.101 0.000 0.858 142 Q CB -0.174 28.615 28.738 0.084 0.000 0.907 142 Q HN 0.488 nan 8.270 nan 0.000 0.433 143 A N 1.090 124.038 122.820 0.214 0.000 1.898 143 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 143 A C 1.889 179.534 177.584 0.102 0.000 1.181 143 A CA 1.572 53.730 52.037 0.202 0.000 0.620 143 A CB -0.431 18.715 19.000 0.243 0.000 0.819 143 A HN 0.427 nan 8.150 nan 0.000 0.442 144 E N -0.568 119.678 120.200 0.076 0.000 2.106 144 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 144 E C 1.933 178.538 176.600 0.008 0.000 0.984 144 E CA 1.291 57.715 56.400 0.040 0.000 0.806 144 E CB -0.089 29.636 29.700 0.041 0.000 0.750 144 E HN 0.576 nan 8.360 nan 0.000 0.458 145 E N 0.336 120.542 120.200 0.012 0.000 2.051 145 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 145 E C 1.741 178.319 176.600 -0.036 0.000 0.991 145 E CA 1.518 57.908 56.400 -0.018 0.000 0.799 145 E CB -0.254 29.442 29.700 -0.008 0.000 0.748 145 E HN 0.353 nan 8.360 nan 0.000 0.449 146 A N 0.111 122.923 122.820 -0.013 0.000 1.898 146 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 146 A C 2.157 179.729 177.584 -0.019 0.000 1.181 146 A CA 1.274 53.300 52.037 -0.018 0.000 0.620 146 A CB -0.699 18.299 19.000 -0.003 0.000 0.819 146 A HN 0.354 nan 8.150 nan 0.000 0.442 147 L N -0.071 121.148 121.223 -0.007 0.000 2.046 147 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 147 L C 2.361 179.181 176.870 -0.083 0.000 1.077 147 L CA 1.765 56.596 54.840 -0.016 0.000 0.747 147 L CB -0.436 41.629 42.059 0.009 0.000 0.896 147 L HN 0.149 nan 8.230 nan 0.000 0.432 148 V N -0.398 119.433 119.914 -0.139 0.000 2.490 148 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 148 V C 2.640 178.544 176.094 -0.317 0.000 1.061 148 V CA 1.694 63.795 62.300 -0.332 0.000 1.064 148 V CB -0.800 30.756 31.823 -0.446 0.000 0.670 148 V HN 0.773 nan 8.190 nan 0.000 0.461 149 S N -0.414 115.194 115.700 -0.153 0.000 2.522 149 S HA 0.218 4.688 4.470 -0.000 0.000 0.227 149 S C 1.546 176.164 174.600 0.031 0.000 0.986 149 S CA 0.908 59.078 58.200 -0.050 0.000 0.929 149 S CB 0.606 63.791 63.200 -0.025 0.000 0.769 149 S HN 1.161 nan 8.310 nan 0.000 0.529 150 G N -0.211 108.566 108.800 -0.038 0.000 2.159 150 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.170 150 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.170 150 G C -0.198 174.751 174.900 0.081 0.000 1.007 150 G CA -0.188 44.916 45.100 0.008 0.000 0.672 150 G HN 0.594 nan 8.290 nan 0.000 0.507 151 V N 2.009 121.949 119.914 0.043 0.000 2.370 151 V HA 0.583 4.703 4.120 -0.000 0.000 0.279 151 V C 1.391 177.531 176.094 0.076 0.000 1.029 151 V CA 0.698 63.039 62.300 0.069 0.000 0.870 151 V CB 1.379 33.221 31.823 0.031 0.000 0.984 151 V HN 0.609 nan 8.190 nan 0.000 0.451 152 T N -0.289 114.330 114.554 0.108 0.000 3.023 152 T HA 0.164 4.514 4.350 -0.000 0.000 0.253 152 T C 0.591 175.375 174.700 0.141 0.000 1.038 152 T CA -0.044 62.122 62.100 0.110 0.000 0.962 152 T CB 0.289 69.220 68.868 0.105 0.000 1.018 152 T HN 0.526 nan 8.240 nan 0.000 0.521 153 T N 2.346 116.992 114.554 0.153 0.000 2.881 153 T HA 0.678 5.028 4.350 -0.000 0.000 0.290 153 T C -1.049 173.744 174.700 0.154 0.000 1.000 153 T CA -0.557 61.659 62.100 0.192 0.000 0.978 153 T CB 1.737 70.730 68.868 0.208 0.000 0.997 153 T HN 0.195 nan 8.240 nan 0.000 0.443 154 M N 3.168 122.887 119.600 0.199 0.000 2.197 154 M HA 0.535 5.015 4.480 -0.000 0.000 0.301 154 M C -1.138 175.277 176.300 0.191 0.000 0.987 154 M CA -0.835 54.550 55.300 0.142 0.000 0.921 154 M CB 2.228 34.928 32.600 0.168 0.000 1.569 154 M HN 0.238 nan 8.290 nan 0.000 0.431 155 V N 2.513 122.450 119.914 0.038 0.000 2.495 155 V HA 1.010 5.130 4.120 -0.000 0.000 0.298 155 V C 0.264 176.334 176.094 -0.040 0.000 1.031 155 V CA -0.155 62.157 62.300 0.019 0.000 0.871 155 V CB 1.632 33.346 31.823 -0.182 0.000 0.988 155 V HN 1.070 nan 8.190 nan 0.000 0.432 156 G N 2.886 111.724 108.800 0.064 0.000 2.335 156 G HA2 0.655 4.615 3.960 -0.000 0.000 0.291 156 G HA3 0.655 4.615 3.960 -0.000 0.000 0.291 156 G C -0.641 174.355 174.900 0.160 0.000 1.261 156 G CA 0.124 45.208 45.100 -0.027 0.000 0.871 156 G HN 1.139 nan 8.290 nan 0.000 0.491 157 G N -2.003 106.865 108.800 0.113 0.000 2.704 157 G HA2 0.984 4.944 3.960 -0.000 0.000 0.293 157 G HA3 0.984 4.944 3.960 -0.000 0.000 0.293 157 G C -0.283 174.786 174.900 0.281 0.000 1.421 157 G CA 0.420 45.687 45.100 0.278 0.000 0.870 157 G HN 2.250 nan 8.290 nan 0.000 0.492 158 G N -1.621 107.353 108.800 0.290 0.000 2.339 158 G HA2 0.537 4.497 3.960 -0.000 0.000 0.302 158 G HA3 0.537 4.497 3.960 -0.000 0.000 0.302 158 G C 0.101 175.066 174.900 0.107 0.000 1.425 158 G CA 0.951 46.174 45.100 0.206 0.000 0.899 158 G HN 1.708 nan 8.290 nan 0.000 0.619 159 T N -2.887 111.660 114.554 -0.012 0.000 3.087 159 T HA 0.636 4.986 4.350 -0.000 0.000 0.283 159 T C 1.218 175.901 174.700 -0.029 0.000 0.956 159 T CA 1.180 63.211 62.100 -0.115 0.000 0.894 159 T CB 0.477 69.013 68.868 -0.553 0.000 1.160 159 T HN 2.701 nan 8.240 nan 0.000 0.532 160 G N 2.409 111.223 108.800 0.024 0.000 2.298 160 G HA2 0.163 4.123 3.960 -0.000 0.000 0.309 160 G HA3 0.163 4.123 3.960 -0.000 0.000 0.309 160 G C -2.968 171.913 174.900 -0.032 0.000 1.279 160 G CA -0.438 44.684 45.100 0.036 0.000 1.042 160 G HN 0.073 nan 8.290 nan 0.000 0.480 161 P HA 0.494 nan 4.420 nan 0.000 0.226 161 P C -0.020 177.048 177.300 -0.387 0.000 1.783 161 P CA 0.923 63.933 63.100 -0.150 0.000 0.980 161 P CB 0.169 31.928 31.700 0.098 0.000 1.967 162 A N 1.331 123.862 122.820 -0.480 0.000 2.337 162 A HA 0.643 4.963 4.320 -0.000 0.000 0.331 162 A C 1.577 178.890 177.584 -0.451 0.000 1.137 162 A CA -0.227 51.612 52.037 -0.331 0.000 0.807 162 A CB 1.149 20.052 19.000 -0.162 0.000 1.250 162 A HN 0.229 nan 8.150 nan 0.000 0.468 163 A N 1.581 124.297 122.820 -0.174 0.000 1.927 163 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 163 A C 2.160 179.703 177.584 -0.068 0.000 1.185 163 A CA 2.710 54.727 52.037 -0.034 0.000 0.639 163 A CB -1.265 17.733 19.000 -0.003 0.000 0.820 163 A HN 1.563 nan 8.150 nan 0.000 0.451 164 G N -1.536 107.238 108.800 -0.043 0.000 2.418 164 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.217 164 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.217 164 G C 1.555 176.504 174.900 0.082 0.000 1.158 164 G CA 1.648 46.776 45.100 0.047 0.000 0.771 164 G HN 0.458 nan 8.290 nan 0.000 0.545 165 T N 0.019 114.594 114.554 0.035 0.000 2.942 165 T HA -0.008 4.342 4.350 -0.000 0.000 0.265 165 T C 2.105 176.920 174.700 0.192 0.000 1.062 165 T CA 0.911 63.069 62.100 0.097 0.000 1.139 165 T CB -0.267 68.616 68.868 0.025 0.000 0.883 165 T HN 0.278 nan 8.240 nan 0.000 0.468 166 H N 1.249 120.353 119.070 0.056 0.000 2.387 166 H HA 0.108 4.664 4.556 -0.000 0.000 0.299 166 H C 2.398 177.689 175.328 -0.062 0.000 1.099 166 H CA 1.315 57.348 56.048 -0.024 0.000 1.315 166 H CB -0.418 29.313 29.762 -0.051 0.000 1.380 166 H HN 0.425 nan 8.280 nan 0.000 0.513 167 A N 0.110 122.988 122.820 0.095 0.000 1.997 167 A HA 0.083 4.403 4.320 -0.000 0.000 0.212 167 A C 1.323 178.930 177.584 0.037 0.000 1.178 167 A CA 1.038 53.068 52.037 -0.012 0.000 0.698 167 A CB 0.053 18.932 19.000 -0.202 0.000 0.842 167 A HN 0.454 nan 8.150 nan 0.000 0.458 168 T N -3.059 111.524 114.554 0.048 0.000 2.906 168 T HA 0.458 4.808 4.350 -0.000 0.000 0.295 168 T C -0.121 174.563 174.700 -0.027 0.000 1.075 168 T CA 0.225 62.304 62.100 -0.034 0.000 1.005 168 T CB 1.368 70.146 68.868 -0.150 0.000 1.136 168 T HN 0.323 nan 8.240 nan 0.000 0.498 169 T N -0.094 114.376 114.554 -0.141 0.000 3.591 169 T HA 0.465 4.815 4.350 -0.000 0.000 0.232 169 T C 0.021 174.743 174.700 0.038 0.000 1.116 169 T CA -0.671 61.324 62.100 -0.176 0.000 1.063 169 T CB -1.880 66.905 68.868 -0.138 0.000 1.227 169 T HN 0.702 nan 8.240 nan 0.000 0.685 170 C N 1.646 120.999 119.300 0.089 0.000 2.455 170 C HA 0.658 5.118 4.460 -0.000 0.000 0.320 170 C C 0.540 175.565 174.990 0.058 0.000 1.226 170 C CA -0.817 58.244 59.018 0.072 0.000 1.569 170 C CB 1.349 29.115 27.740 0.045 0.000 2.200 170 C HN 0.652 nan 8.230 nan 0.000 0.491 171 T N 4.325 118.904 114.554 0.043 0.000 2.929 171 T HA 0.307 4.657 4.350 -0.000 0.000 0.331 171 T C -2.703 172.006 174.700 0.016 0.000 1.120 171 T CA -0.744 61.383 62.100 0.044 0.000 0.973 171 T CB 0.357 69.278 68.868 0.088 0.000 1.036 171 T HN 0.427 nan 8.240 nan 0.000 0.502 172 P HA 0.372 nan 4.420 nan 0.000 0.269 172 P C 0.697 178.062 177.300 0.108 0.000 1.252 172 P CA 0.705 63.782 63.100 -0.038 0.000 0.780 172 P CB 0.219 31.851 31.700 -0.113 0.000 0.829 173 G N 5.490 114.322 108.800 0.052 0.000 2.819 173 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.682 173 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.682 173 G C -2.032 172.941 174.900 0.122 0.000 1.481 173 G CA -0.824 44.328 45.100 0.086 0.000 0.904 173 G HN 0.251 nan 8.290 nan 0.000 0.563 174 P HA -0.132 nan 4.420 nan 0.000 0.216 174 P C 1.653 179.010 177.300 0.096 0.000 1.153 174 P CA 2.196 65.344 63.100 0.079 0.000 0.858 174 P CB 0.000 31.741 31.700 0.068 0.000 0.789 175 W N -1.000 120.270 121.300 -0.050 0.000 2.354 175 W HA -0.183 4.477 4.660 -0.000 0.000 0.315 175 W C 2.303 178.748 176.519 -0.123 0.000 1.206 175 W CA 1.502 58.772 57.345 -0.125 0.000 1.290 175 W CB -1.121 28.205 29.460 -0.223 0.000 1.152 175 W HN -0.063 nan 8.180 nan 0.000 0.489 176 Y N -0.175 120.245 120.300 0.201 0.000 2.242 176 Y HA -0.211 4.339 4.550 -0.000 0.000 0.291 176 Y C 2.387 178.242 175.900 -0.075 0.000 1.137 176 Y CA 1.562 59.691 58.100 0.047 0.000 1.181 176 Y CB -0.475 38.076 38.460 0.152 0.000 0.989 176 Y HN -0.121 nan 8.280 nan 0.000 0.527 177 I N -0.906 119.734 120.570 0.116 0.000 2.163 177 I HA -0.364 3.806 4.170 -0.000 0.000 0.243 177 I C 2.324 178.409 176.117 -0.055 0.000 1.085 177 I CA 1.480 62.800 61.300 0.034 0.000 1.347 177 I CB -0.478 37.544 38.000 0.038 0.000 1.044 177 I HN 0.091 nan 8.210 nan 0.000 0.408 178 S N 0.248 115.878 115.700 -0.116 0.000 2.368 178 S HA -0.203 4.267 4.470 -0.000 0.000 0.225 178 S C 2.076 176.525 174.600 -0.252 0.000 1.030 178 S CA 1.271 59.361 58.200 -0.182 0.000 0.999 178 S CB -0.288 62.776 63.200 -0.228 0.000 0.844 178 S HN 0.267 nan 8.310 nan 0.000 0.459 179 R N 1.005 121.282 120.500 -0.372 0.000 2.081 179 R HA 0.131 4.471 4.340 -0.000 0.000 0.235 179 R C 2.259 178.432 176.300 -0.213 0.000 1.131 179 R CA 1.287 57.157 56.100 -0.384 0.000 0.960 179 R CB -0.391 29.578 30.300 -0.550 0.000 0.856 179 R HN 0.311 nan 8.270 nan 0.000 0.436 180 M N -0.290 119.222 119.600 -0.148 0.000 2.254 180 M HA -0.034 4.446 4.480 -0.000 0.000 0.265 180 M C 2.046 178.240 176.300 -0.176 0.000 1.066 180 M CA 1.259 56.464 55.300 -0.157 0.000 1.123 180 M CB -0.590 31.935 32.600 -0.125 0.000 1.388 180 M HN 0.156 nan 8.290 nan 0.000 0.425 181 L N -0.377 120.764 121.223 -0.137 0.000 2.141 181 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 181 L C 2.527 179.315 176.870 -0.136 0.000 1.094 181 L CA 1.094 55.862 54.840 -0.119 0.000 0.763 181 L CB -0.484 41.522 42.059 -0.088 0.000 0.908 181 L HN 0.397 nan 8.230 nan 0.000 0.437 182 Q N -0.322 119.388 119.800 -0.149 0.000 2.079 182 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 182 Q C 2.457 178.377 176.000 -0.133 0.000 0.974 182 Q CA 1.466 57.183 55.803 -0.142 0.000 0.840 182 Q CB -0.225 28.422 28.738 -0.153 0.000 0.898 182 Q HN 0.534 nan 8.270 nan 0.000 0.430 183 A N 1.287 124.018 122.820 -0.148 0.000 1.972 183 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 183 A C 2.313 179.802 177.584 -0.158 0.000 1.169 183 A CA 1.466 53.417 52.037 -0.143 0.000 0.635 183 A CB -0.715 18.187 19.000 -0.164 0.000 0.810 183 A HN 0.391 nan 8.150 nan 0.000 0.446 184 A N 0.042 122.746 122.820 -0.194 0.000 1.978 184 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 184 A C 1.659 179.187 177.584 -0.094 0.000 1.170 184 A CA 1.838 53.762 52.037 -0.189 0.000 0.636 184 A CB -0.576 18.315 19.000 -0.182 0.000 0.810 184 A HN 0.457 nan 8.150 nan 0.000 0.448 185 D N -0.123 120.233 120.400 -0.073 0.000 2.265 185 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 185 D C 1.769 178.144 176.300 0.125 0.000 0.977 185 D CA 1.359 55.358 54.000 -0.001 0.000 0.871 185 D CB -0.094 40.635 40.800 -0.119 0.000 0.925 185 D HN 0.422 nan 8.370 nan 0.000 0.485 186 S N -0.437 115.287 115.700 0.040 0.000 2.528 186 S HA 0.114 4.584 4.470 -0.000 0.000 0.219 186 S C 0.981 175.587 174.600 0.008 0.000 0.985 186 S CA -0.078 58.144 58.200 0.036 0.000 0.914 186 S CB 0.596 63.798 63.200 0.003 0.000 0.776 186 S HN 0.176 nan 8.310 nan 0.000 0.526 187 L N 2.905 124.124 121.223 -0.007 0.000 2.325 187 L HA 0.345 4.685 4.340 -0.000 0.000 0.279 187 L C -1.866 175.021 176.870 0.030 0.000 1.054 187 L CA -2.142 52.700 54.840 0.003 0.000 0.804 187 L CB 0.938 42.979 42.059 -0.029 0.000 1.200 187 L HN -0.144 nan 8.230 nan 0.000 0.436 188 P HA 0.022 nan 4.420 nan 0.000 0.258 188 P C -0.420 176.916 177.300 0.061 0.000 1.403 188 P CA 0.274 63.400 63.100 0.042 0.000 0.826 188 P CB -0.030 31.689 31.700 0.031 0.000 1.414 189 V N -3.498 116.466 119.914 0.083 0.000 3.001 189 V HA 0.550 4.670 4.120 -0.000 0.000 0.314 189 V C -0.232 175.929 176.094 0.113 0.000 1.099 189 V CA -1.395 60.972 62.300 0.113 0.000 0.989 189 V CB 1.770 33.693 31.823 0.167 0.000 1.040 189 V HN -0.172 nan 8.190 nan 0.000 0.434 190 N N 1.829 120.609 118.700 0.133 0.000 2.518 190 N HA 0.586 5.326 4.740 -0.000 0.000 0.266 190 N C -0.755 174.900 175.510 0.242 0.000 1.196 190 N CA 0.097 53.222 53.050 0.125 0.000 0.947 190 N CB 1.469 40.081 38.487 0.207 0.000 1.098 190 N HN 0.729 nan 8.380 nan 0.000 0.450 191 I N -0.174 120.528 120.570 0.220 0.000 2.686 191 I HA 0.488 4.658 4.170 -0.000 0.000 0.295 191 I C 0.207 176.550 176.117 0.375 0.000 1.114 191 I CA -0.861 60.622 61.300 0.303 0.000 1.038 191 I CB 2.482 40.579 38.000 0.162 0.000 1.238 191 I HN 0.435 nan 8.210 nan 0.000 0.420 192 G N 5.817 114.839 108.800 0.371 0.000 2.662 192 G HA2 0.730 4.690 3.960 -0.000 0.000 0.302 192 G HA3 0.730 4.690 3.960 -0.000 0.000 0.302 192 G C -1.398 173.649 174.900 0.244 0.000 1.389 192 G CA -0.463 44.822 45.100 0.308 0.000 0.998 192 G HN 0.379 nan 8.290 nan 0.000 0.502 193 L N 1.154 122.494 121.223 0.195 0.000 2.334 193 L HA 0.610 4.950 4.340 -0.000 0.000 0.272 193 L C -0.238 176.719 176.870 0.144 0.000 1.020 193 L CA -0.948 54.008 54.840 0.192 0.000 0.812 193 L CB 1.986 44.130 42.059 0.142 0.000 1.264 193 L HN 0.209 nan 8.230 nan 0.000 0.439 194 L N 1.065 122.372 121.223 0.140 0.000 2.329 194 L HA 0.641 4.981 4.340 -0.000 0.000 0.279 194 L C 0.503 177.415 176.870 0.071 0.000 1.014 194 L CA -0.462 54.437 54.840 0.100 0.000 0.814 194 L CB 1.711 43.828 42.059 0.096 0.000 1.257 194 L HN 0.673 nan 8.230 nan 0.000 0.424 195 G N 1.103 109.927 108.800 0.039 0.000 2.531 195 G HA2 0.286 4.246 3.960 -0.000 0.000 0.313 195 G HA3 0.286 4.246 3.960 -0.000 0.000 0.313 195 G C -0.918 173.956 174.900 -0.044 0.000 1.238 195 G CA -0.578 44.523 45.100 0.002 0.000 0.994 195 G HN 0.515 nan 8.290 nan 0.000 0.493 196 K N 0.206 120.534 120.400 -0.119 0.000 2.273 196 K HA 0.269 4.589 4.320 -0.000 0.000 0.287 196 K C 1.087 177.592 176.600 -0.158 0.000 1.089 196 K CA -0.065 56.086 56.287 -0.228 0.000 0.909 196 K CB 0.441 32.650 32.500 -0.484 0.000 1.123 196 K HN 0.460 nan 8.250 nan 0.000 0.473 197 G N 3.487 112.231 108.800 -0.093 0.000 2.985 197 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.209 197 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.209 197 G C 0.032 174.906 174.900 -0.044 0.000 1.165 197 G CA -0.276 44.790 45.100 -0.056 0.000 0.776 197 G HN 0.605 nan 8.290 nan 0.000 0.541 198 N N 0.808 119.475 118.700 -0.056 0.000 2.739 198 N HA 0.412 5.152 4.740 -0.000 0.000 0.266 198 N C -0.909 174.590 175.510 -0.019 0.000 1.168 198 N CA 0.116 53.166 53.050 -0.001 0.000 1.055 198 N CB 1.249 39.793 38.487 0.095 0.000 1.393 198 N HN 0.037 nan 8.380 nan 0.000 0.514 199 V N -0.926 118.979 119.914 -0.016 0.000 3.147 199 V HA 0.347 4.467 4.120 -0.000 0.000 0.299 199 V C 0.203 176.294 176.094 -0.006 0.000 1.302 199 V CA -0.961 61.331 62.300 -0.014 0.000 1.015 199 V CB 2.106 33.910 31.823 -0.031 0.000 1.086 199 V HN 0.251 nan 8.190 nan 0.000 0.437 200 S N 0.846 116.545 115.700 -0.002 0.000 2.574 200 S HA 0.204 4.674 4.470 -0.000 0.000 0.242 200 S C 0.104 174.702 174.600 -0.004 0.000 0.982 200 S CA -0.017 58.182 58.200 -0.001 0.000 0.977 200 S CB -0.077 63.125 63.200 0.004 0.000 0.814 200 S HN 0.803 nan 8.310 nan 0.000 0.464 201 Q N 1.473 121.269 119.800 -0.007 0.000 2.347 201 Q HA 0.422 4.762 4.340 -0.000 0.000 0.265 201 Q C -2.487 173.507 176.000 -0.011 0.000 1.024 201 Q CA -2.036 53.763 55.803 -0.008 0.000 0.731 201 Q CB 1.495 30.228 28.738 -0.008 0.000 1.245 201 Q HN -0.103 nan 8.270 nan 0.000 0.472 202 P HA -0.194 nan 4.420 nan 0.000 0.216 202 P C 0.240 177.535 177.300 -0.010 0.000 1.157 202 P CA 1.396 64.490 63.100 -0.009 0.000 0.880 202 P CB 0.362 32.057 31.700 -0.007 0.000 0.791 203 D N -0.907 119.488 120.400 -0.008 0.000 2.182 203 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 203 D C 1.916 178.211 176.300 -0.009 0.000 0.986 203 D CA 1.510 55.506 54.000 -0.007 0.000 0.847 203 D CB -0.592 40.205 40.800 -0.006 0.000 0.942 203 D HN 0.114 nan 8.370 nan 0.000 0.467 204 A N 0.184 122.996 122.820 -0.013 0.000 2.067 204 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 204 A C 2.303 179.874 177.584 -0.022 0.000 1.158 204 A CA 0.691 52.717 52.037 -0.018 0.000 0.661 204 A CB -0.357 18.628 19.000 -0.025 0.000 0.801 204 A HN 0.206 nan 8.150 nan 0.000 0.452 205 L N -1.736 119.475 121.223 -0.020 0.000 2.168 205 L HA -0.001 4.339 4.340 -0.000 0.000 0.203 205 L C 2.697 179.561 176.870 -0.010 0.000 1.078 205 L CA 0.563 55.391 54.840 -0.019 0.000 0.780 205 L CB -0.456 41.591 42.059 -0.019 0.000 0.939 205 L HN 0.275 nan 8.230 nan 0.000 0.451 206 R N 0.463 120.959 120.500 -0.007 0.000 2.105 206 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 206 R C 2.087 178.388 176.300 0.001 0.000 1.135 206 R CA 1.437 57.535 56.100 -0.002 0.000 0.967 206 R CB -0.297 30.002 30.300 -0.002 0.000 0.861 206 R HN 0.450 nan 8.270 nan 0.000 0.442 207 E N 0.692 120.892 120.200 -0.000 0.000 2.085 207 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 207 E C 2.148 178.753 176.600 0.008 0.000 0.994 207 E CA 1.227 57.630 56.400 0.004 0.000 0.801 207 E CB -0.008 29.694 29.700 0.004 0.000 0.743 207 E HN 0.445 nan 8.360 nan 0.000 0.453 208 Q N 0.184 119.987 119.800 0.005 0.000 2.119 208 Q HA -0.119 4.221 4.340 -0.000 0.000 0.201 208 Q C 2.391 178.400 176.000 0.015 0.000 0.972 208 Q CA 1.188 56.997 55.803 0.010 0.000 0.847 208 Q CB 0.066 28.803 28.738 -0.001 0.000 0.903 208 Q HN 0.158 nan 8.270 nan 0.000 0.433 209 V N 0.961 120.882 119.914 0.013 0.000 2.358 209 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 209 V C 2.242 178.347 176.094 0.019 0.000 1.047 209 V CA 1.782 64.093 62.300 0.019 0.000 1.035 209 V CB -0.902 30.929 31.823 0.015 0.000 0.658 209 V HN 0.365 nan 8.190 nan 0.000 0.452 210 A N -0.096 122.732 122.820 0.014 0.000 2.015 210 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 210 A C 2.313 179.904 177.584 0.011 0.000 1.163 210 A CA 1.660 53.704 52.037 0.012 0.000 0.646 210 A CB -0.517 18.487 19.000 0.008 0.000 0.806 210 A HN 0.559 nan 8.150 nan 0.000 0.448 211 A N -2.012 120.815 122.820 0.012 0.000 2.067 211 A HA 0.385 4.705 4.320 -0.000 0.000 0.217 211 A C 1.772 179.361 177.584 0.009 0.000 1.156 211 A CA 1.689 53.731 52.037 0.008 0.000 0.683 211 A CB -0.417 18.591 19.000 0.013 0.000 0.808 211 A HN 1.612 nan 8.150 nan 0.000 0.455 212 G N -1.831 106.981 108.800 0.021 0.000 2.613 212 G HA2 0.020 3.980 3.960 -0.000 0.000 0.199 212 G HA3 0.020 3.980 3.960 -0.000 0.000 0.199 212 G C 0.312 175.243 174.900 0.052 0.000 0.991 212 G CA 0.050 45.168 45.100 0.031 0.000 0.756 212 G HN 1.392 nan 8.290 nan 0.000 0.515 213 V N 1.053 120.998 119.914 0.051 0.000 2.843 213 V HA 0.571 4.691 4.120 -0.000 0.000 0.305 213 V C 1.692 177.834 176.094 0.080 0.000 1.065 213 V CA 0.246 62.587 62.300 0.069 0.000 1.116 213 V CB 1.068 32.926 31.823 0.058 0.000 0.968 213 V HN 0.824 nan 8.190 nan 0.000 0.487 214 I N 0.419 121.052 120.570 0.105 0.000 3.883 214 I HA 0.749 4.919 4.170 -0.000 0.000 0.326 214 I C 0.687 176.875 176.117 0.119 0.000 1.283 214 I CA 0.387 61.755 61.300 0.114 0.000 1.161 214 I CB -0.201 37.880 38.000 0.135 0.000 1.012 214 I HN 0.895 nan 8.210 nan 0.000 0.421 215 G N 0.834 109.698 108.800 0.105 0.000 2.523 215 G HA2 0.610 4.570 3.960 -0.000 0.000 0.291 215 G HA3 0.610 4.570 3.960 -0.000 0.000 0.291 215 G C -1.628 173.308 174.900 0.059 0.000 1.450 215 G CA -0.704 44.456 45.100 0.099 0.000 0.790 215 G HN 0.081 nan 8.290 nan 0.000 0.496 219 H N 5.788 124.922 119.070 0.107 0.000 2.538 219 H HA 0.377 4.933 4.556 -0.000 0.000 0.353 219 H C 0.723 176.050 175.328 -0.003 0.000 1.109 219 H CA -0.278 55.806 56.048 0.060 0.000 1.192 219 H CB 2.209 32.058 29.762 0.145 0.000 1.555 219 H HN 0.843 nan 8.280 nan 0.000 0.518 220 E N 2.503 122.522 120.200 -0.303 0.000 2.160 220 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 220 E C 0.117 176.730 176.600 0.021 0.000 0.991 220 E CA 1.636 57.963 56.400 -0.121 0.000 0.810 220 E CB 0.157 29.743 29.700 -0.190 0.000 0.742 220 E HN 0.481 nan 8.360 nan 0.000 0.466 221 D N 0.038 120.544 120.400 0.178 0.000 2.264 221 D HA -0.112 4.528 4.640 -0.000 0.000 0.208 221 D C 0.550 176.729 176.300 -0.201 0.000 0.966 221 D CA 0.899 54.841 54.000 -0.096 0.000 0.864 221 D CB -0.212 40.383 40.800 -0.341 0.000 0.933 221 D HN 0.491 nan 8.370 nan 0.000 0.499 222 W N 0.317 121.659 121.300 0.070 0.000 3.127 222 W HA 0.401 5.061 4.660 0.000 0.000 0.344 222 W C 0.596 177.128 176.519 0.020 0.000 1.151 222 W CA -0.092 57.268 57.345 0.026 0.000 1.765 222 W CB 0.817 30.288 29.460 0.020 0.000 1.085 222 W HN -0.078 nan 8.180 nan 0.000 0.596 223 G N 1.314 110.230 108.800 0.194 0.000 2.780 223 G HA2 0.073 4.033 3.960 -0.000 0.000 0.364 223 G HA3 0.073 4.033 3.960 -0.000 0.000 0.364 223 G C -0.212 174.741 174.900 0.090 0.000 1.045 223 G CA -0.595 44.572 45.100 0.112 0.000 1.202 223 G HN 0.406 nan 8.290 nan 0.000 0.534 224 A N 2.214 125.065 122.820 0.051 0.000 3.118 224 A HA 0.667 4.987 4.320 -0.000 0.000 0.256 224 A C 1.271 178.872 177.584 0.028 0.000 1.667 224 A CA 0.860 52.916 52.037 0.033 0.000 1.338 224 A CB -0.519 18.480 19.000 -0.001 0.000 1.127 224 A HN 2.033 nan 8.150 nan 0.000 0.634 225 T N -2.489 112.085 114.554 0.034 0.000 2.899 225 T HA 0.433 4.783 4.350 -0.000 0.000 0.284 225 T C -1.816 172.899 174.700 0.026 0.000 1.004 225 T CA -1.678 60.440 62.100 0.029 0.000 1.043 225 T CB 1.156 70.039 68.868 0.024 0.000 1.013 225 T HN 0.080 nan 8.240 nan 0.000 0.518 226 P HA -0.082 nan 4.420 nan 0.000 0.216 226 P C 1.644 178.949 177.300 0.009 0.000 1.150 226 P CA 1.537 64.647 63.100 0.016 0.000 0.843 226 P CB -0.240 31.466 31.700 0.011 0.000 0.787 227 A N -0.199 122.627 122.820 0.009 0.000 1.902 227 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 227 A C 2.307 179.894 177.584 0.006 0.000 1.181 227 A CA 2.104 54.145 52.037 0.006 0.000 0.623 227 A CB -1.576 17.428 19.000 0.007 0.000 0.818 227 A HN 0.196 nan 8.150 nan 0.000 0.443 228 A N -0.037 122.790 122.820 0.012 0.000 1.873 228 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 228 A C 2.130 179.717 177.584 0.004 0.000 1.186 228 A CA 1.484 53.528 52.037 0.012 0.000 0.616 228 A CB -0.652 18.364 19.000 0.026 0.000 0.823 228 A HN 0.478 nan 8.150 nan 0.000 0.442 229 I N -0.132 120.441 120.570 0.006 0.000 2.163 229 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 229 I C 2.349 178.460 176.117 -0.010 0.000 1.085 229 I CA 2.058 63.356 61.300 -0.003 0.000 1.347 229 I CB -0.419 37.582 38.000 0.001 0.000 1.044 229 I HN 0.443 nan 8.210 nan 0.000 0.408 230 D N 0.053 120.449 120.400 -0.007 0.000 2.117 230 D HA -0.235 4.405 4.640 -0.000 0.000 0.197 230 D C 2.307 178.601 176.300 -0.010 0.000 0.987 230 D CA 1.337 55.331 54.000 -0.009 0.000 0.829 230 D CB -0.183 40.613 40.800 -0.006 0.000 0.961 230 D HN 0.406 nan 8.370 nan 0.000 0.460 231 C N 0.040 119.335 119.300 -0.008 0.000 2.413 231 C HA 0.024 4.484 4.460 -0.000 0.000 0.276 231 C C 2.896 177.878 174.990 -0.013 0.000 1.236 231 C CA 1.589 60.601 59.018 -0.009 0.000 1.735 231 C CB -1.479 26.256 27.740 -0.007 0.000 2.031 231 C HN 0.448 nan 8.230 nan 0.000 0.474 232 A N -0.106 122.705 122.820 -0.015 0.000 1.933 232 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 232 A C 2.165 179.737 177.584 -0.021 0.000 1.175 232 A CA 1.659 53.685 52.037 -0.019 0.000 0.628 232 A CB -0.650 18.337 19.000 -0.022 0.000 0.814 232 A HN 0.674 nan 8.150 nan 0.000 0.444 233 L N -0.880 120.330 121.223 -0.022 0.000 2.141 233 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 233 L C 2.712 179.570 176.870 -0.020 0.000 1.094 233 L CA 1.526 56.352 54.840 -0.024 0.000 0.763 233 L CB -0.607 41.437 42.059 -0.026 0.000 0.908 233 L HN 0.334 nan 8.230 nan 0.000 0.437 234 T N -0.716 113.829 114.554 -0.016 0.000 2.777 234 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 234 T C 1.961 176.654 174.700 -0.012 0.000 1.040 234 T CA 1.307 63.399 62.100 -0.013 0.000 1.141 234 T CB -0.098 68.763 68.868 -0.011 0.000 0.868 234 T HN 0.061 nan 8.240 nan 0.000 0.444 235 V N 1.632 121.538 119.914 -0.012 0.000 2.427 235 V HA -0.094 4.026 4.120 -0.000 0.000 0.248 235 V C 2.855 178.943 176.094 -0.010 0.000 1.051 235 V CA 1.469 63.763 62.300 -0.010 0.000 1.048 235 V CB -1.161 30.656 31.823 -0.010 0.000 0.666 235 V HN 0.501 nan 8.190 nan 0.000 0.456 236 A N -0.046 122.766 122.820 -0.013 0.000 1.902 236 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 236 A C 1.993 179.567 177.584 -0.016 0.000 1.181 236 A CA 2.032 54.060 52.037 -0.015 0.000 0.623 236 A CB -0.622 18.365 19.000 -0.022 0.000 0.818 236 A HN 0.504 nan 8.150 nan 0.000 0.443 237 D N -0.248 120.141 120.400 -0.017 0.000 2.178 237 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 237 D C 2.020 178.312 176.300 -0.013 0.000 0.980 237 D CA 1.574 55.563 54.000 -0.017 0.000 0.842 237 D CB -0.208 40.582 40.800 -0.017 0.000 0.948 237 D HN 0.886 nan 8.370 nan 0.000 0.472 238 E N -0.571 119.622 120.200 -0.011 0.000 2.340 238 E HA 0.024 4.374 4.350 -0.000 0.000 0.194 238 E C 1.559 178.155 176.600 -0.006 0.000 0.996 238 E CA 0.245 56.640 56.400 -0.008 0.000 0.869 238 E CB -0.062 29.633 29.700 -0.007 0.000 0.835 238 E HN 0.191 nan 8.360 nan 0.000 0.493 239 M N 0.998 120.595 119.600 -0.005 0.000 2.371 239 M HA 0.130 4.610 4.480 -0.000 0.000 0.246 239 M C -0.326 175.975 176.300 0.001 0.000 1.103 239 M CA -0.050 55.250 55.300 0.000 0.000 1.010 239 M CB 0.364 32.966 32.600 0.004 0.000 1.457 239 M HN -0.103 nan 8.290 nan 0.000 0.486 240 D N 2.886 123.283 120.400 -0.005 0.000 2.697 240 D HA -0.157 4.483 4.640 -0.000 0.000 0.238 240 D C -1.101 175.199 176.300 0.000 0.000 1.152 240 D CA 0.651 54.646 54.000 -0.008 0.000 0.666 240 D CB -0.791 40.003 40.800 -0.010 0.000 1.037 240 D HN 0.523 nan 8.370 nan 0.000 0.423 241 I N -2.461 118.109 120.570 -0.000 0.000 2.934 241 I HA 0.685 4.855 4.170 -0.000 0.000 0.306 241 I C -0.022 176.089 176.117 -0.010 0.000 1.110 241 I CA -1.215 60.092 61.300 0.012 0.000 1.019 241 I CB 1.600 39.616 38.000 0.028 0.000 1.227 241 I HN -0.138 nan 8.210 nan 0.000 0.434 242 Q N 1.839 121.635 119.800 -0.008 0.000 2.221 242 Q HA 0.726 5.066 4.340 -0.000 0.000 0.242 242 Q C -1.395 174.586 176.000 -0.031 0.000 0.940 242 Q CA -0.532 55.232 55.803 -0.065 0.000 0.896 242 Q CB 1.831 30.441 28.738 -0.215 0.000 1.226 242 Q HN 0.654 nan 8.270 nan 0.000 0.463 243 V N 1.998 121.874 119.914 -0.063 0.000 2.555 243 V HA 0.868 4.988 4.120 -0.000 0.000 0.302 243 V C -0.739 175.281 176.094 -0.124 0.000 1.038 243 V CA -0.610 61.648 62.300 -0.070 0.000 0.887 243 V CB 1.479 33.261 31.823 -0.067 0.000 0.991 243 V HN 0.866 nan 8.190 nan 0.000 0.434 244 A N 4.720 127.408 122.820 -0.221 0.000 2.350 244 A HA 0.934 5.254 4.320 -0.000 0.000 0.324 244 A C -1.262 176.015 177.584 -0.513 0.000 1.118 244 A CA -0.528 51.182 52.037 -0.543 0.000 0.783 244 A CB 1.450 19.899 19.000 -0.919 0.000 1.236 244 A HN 0.825 nan 8.150 nan 0.000 0.457 245 L N 1.479 122.379 121.223 -0.539 0.000 2.386 245 L HA 0.593 4.933 4.340 -0.000 0.000 0.271 245 L C -0.637 176.105 176.870 -0.213 0.000 0.993 245 L CA -0.176 54.492 54.840 -0.288 0.000 0.819 245 L CB 1.876 43.838 42.059 -0.162 0.000 1.294 245 L HN 0.827 nan 8.230 nan 0.000 0.414 246 H N 3.109 122.070 119.070 -0.182 0.000 2.866 246 H HA 0.535 5.091 4.556 -0.000 0.000 0.287 246 H C -0.448 174.802 175.328 -0.130 0.000 1.106 246 H CA -0.371 55.630 56.048 -0.078 0.000 1.396 246 H CB 0.859 30.554 29.762 -0.112 0.000 1.469 246 H HN 0.829 nan 8.280 nan 0.000 0.500 247 S N 2.499 118.270 115.700 0.118 0.000 2.606 247 S HA -0.068 4.402 4.470 -0.000 0.000 0.257 247 S C 0.471 175.016 174.600 -0.093 0.000 1.327 247 S CA -0.783 57.415 58.200 -0.003 0.000 0.984 247 S CB 0.900 64.098 63.200 -0.004 0.000 0.941 247 S HN 0.737 nan 8.310 nan 0.000 0.576 248 D N 0.599 120.793 120.400 -0.343 0.000 2.385 248 D HA 0.148 4.788 4.640 -0.000 0.000 0.260 248 D C 1.018 177.065 176.300 -0.422 0.000 1.326 248 D CA 0.131 53.923 54.000 -0.347 0.000 1.023 248 D CB -0.208 40.421 40.800 -0.285 0.000 1.083 248 D HN 0.554 nan 8.370 nan 0.000 0.517 249 T N 3.569 118.047 114.554 -0.126 0.000 2.788 249 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 249 T C 1.970 176.711 174.700 0.070 0.000 1.044 249 T CA 0.695 62.781 62.100 -0.024 0.000 1.139 249 T CB 0.009 68.909 68.868 0.053 0.000 0.867 249 T HN 0.436 nan 8.240 nan 0.000 0.454 250 L N 0.893 122.176 121.223 0.100 0.000 2.456 250 L HA 0.017 4.357 4.340 -0.000 0.000 0.224 250 L C 0.685 177.633 176.870 0.130 0.000 1.148 250 L CA 0.252 55.181 54.840 0.149 0.000 0.825 250 L CB -0.765 41.353 42.059 0.098 0.000 0.937 250 L HN 0.279 nan 8.230 nan 0.000 0.450 251 N N 0.149 118.924 118.700 0.125 0.000 2.714 251 N HA -0.266 4.474 4.740 -0.000 0.000 0.250 251 N C 1.134 176.644 175.510 0.001 0.000 1.117 251 N CA 1.273 54.425 53.050 0.170 0.000 0.719 251 N CB -1.031 37.633 38.487 0.295 0.000 1.081 251 N HN 0.579 nan 8.380 nan 0.000 0.557 252 E N 0.529 120.736 120.200 0.010 0.000 2.051 252 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 252 E C 1.541 178.114 176.600 -0.045 0.000 0.991 252 E CA 1.833 58.222 56.400 -0.018 0.000 0.799 252 E CB 0.082 29.779 29.700 -0.005 0.000 0.748 252 E HN 0.535 nan 8.360 nan 0.000 0.449 253 S N -1.146 114.541 115.700 -0.022 0.000 2.524 253 S HA 0.359 4.829 4.470 -0.000 0.000 0.216 253 S C 0.619 175.183 174.600 -0.061 0.000 0.987 253 S CA 0.111 58.295 58.200 -0.027 0.000 0.909 253 S CB 1.126 64.331 63.200 0.008 0.000 0.781 253 S HN 0.447 nan 8.310 nan 0.000 0.521 254 G N -0.130 108.611 108.800 -0.097 0.000 2.341 254 G HA2 0.380 4.339 3.960 -0.000 0.000 0.293 254 G HA3 0.380 4.339 3.960 -0.000 0.000 0.293 254 G C -1.119 173.660 174.900 -0.201 0.000 1.298 254 G CA -1.139 43.823 45.100 -0.231 0.000 0.868 254 G HN 0.177 nan 8.290 nan 0.000 0.540 255 F N -1.092 118.828 119.950 -0.050 0.000 2.321 255 F HA 0.515 5.042 4.527 -0.000 0.000 0.318 255 F C 1.881 177.250 175.800 -0.718 0.000 1.129 255 F CA -0.033 57.836 58.000 -0.218 0.000 1.074 255 F CB 1.340 40.276 39.000 -0.107 0.000 1.432 255 F HN 0.314 nan 8.300 nan 0.000 0.502 256 V N 1.444 121.025 119.914 -0.556 0.000 2.392 256 V HA -0.240 3.880 4.120 -0.000 0.000 0.249 256 V C 2.216 178.160 176.094 -0.250 0.000 1.059 256 V CA 2.463 64.411 62.300 -0.587 0.000 1.051 256 V CB -0.626 31.080 31.823 -0.195 0.000 0.658 256 V HN 0.831 nan 8.190 nan 0.000 0.455 257 E N -0.966 119.172 120.200 -0.104 0.000 2.204 257 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 257 E C 1.631 178.204 176.600 -0.045 0.000 0.989 257 E CA 1.683 58.057 56.400 -0.043 0.000 0.824 257 E CB -0.629 29.079 29.700 0.014 0.000 0.756 257 E HN 0.690 nan 8.360 nan 0.000 0.477 258 D N 0.857 121.227 120.400 -0.051 0.000 2.149 258 D HA -0.058 4.582 4.640 -0.000 0.000 0.201 258 D C 1.727 178.008 176.300 -0.031 0.000 0.972 258 D CA 1.457 55.438 54.000 -0.033 0.000 0.835 258 D CB -0.022 40.759 40.800 -0.032 0.000 0.966 258 D HN 0.189 nan 8.370 nan 0.000 0.476 259 T N 1.593 116.119 114.554 -0.045 0.000 2.737 259 T HA -0.064 4.286 4.350 -0.000 0.000 0.265 259 T C 2.275 176.953 174.700 -0.036 0.000 1.038 259 T CA 0.493 62.605 62.100 0.020 0.000 1.144 259 T CB -0.243 68.711 68.868 0.144 0.000 0.866 259 T HN 0.072 nan 8.240 nan 0.000 0.434 260 L N 0.683 121.852 121.223 -0.091 0.000 2.079 260 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 260 L C 2.925 179.735 176.870 -0.100 0.000 1.081 260 L CA 1.226 55.975 54.840 -0.150 0.000 0.752 260 L CB -0.561 41.349 42.059 -0.249 0.000 0.896 260 L HN 0.249 nan 8.230 nan 0.000 0.433 261 A N -0.218 122.566 122.820 -0.059 0.000 1.898 261 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 261 A C 2.527 180.096 177.584 -0.025 0.000 1.181 261 A CA 1.543 53.561 52.037 -0.031 0.000 0.620 261 A CB -0.651 18.339 19.000 -0.015 0.000 0.819 261 A HN 0.392 nan 8.150 nan 0.000 0.442 262 A N 0.050 122.857 122.820 -0.022 0.000 1.933 262 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 262 A C 2.074 179.645 177.584 -0.021 0.000 1.175 262 A CA 1.495 53.524 52.037 -0.015 0.000 0.628 262 A CB -0.631 18.367 19.000 -0.004 0.000 0.814 262 A HN 0.503 nan 8.150 nan 0.000 0.444 263 I N -0.393 120.156 120.570 -0.034 0.000 2.361 263 I HA -0.124 4.046 4.170 -0.000 0.000 0.251 263 I C 1.762 177.858 176.117 -0.036 0.000 1.133 263 I CA 0.902 62.177 61.300 -0.042 0.000 1.413 263 I CB -0.726 37.235 38.000 -0.065 0.000 1.073 263 I HN 0.481 nan 8.210 nan 0.000 0.424 264 G N 1.200 109.980 108.800 -0.033 0.000 2.366 264 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.299 264 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.299 264 G C 0.986 175.877 174.900 -0.015 0.000 1.020 264 G CA 0.451 45.538 45.100 -0.020 0.000 1.026 264 G HN 0.941 nan 8.290 nan 0.000 0.512 265 G N -1.720 107.070 108.800 -0.017 0.000 2.155 265 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.257 265 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.257 265 G C 0.531 175.423 174.900 -0.013 0.000 0.983 265 G CA 1.064 46.162 45.100 -0.004 0.000 0.676 265 G HN 1.031 nan 8.290 nan 0.000 0.528 266 R N 0.288 120.773 120.500 -0.024 0.000 2.500 266 R HA 0.498 4.838 4.340 -0.000 0.000 0.275 266 R C 0.393 176.671 176.300 -0.035 0.000 1.051 266 R CA -0.193 55.891 56.100 -0.027 0.000 1.088 266 R CB 0.575 30.858 30.300 -0.028 0.000 1.063 266 R HN 0.141 nan 8.270 nan 0.000 0.511 267 T N 2.988 117.519 114.554 -0.038 0.000 2.902 267 T HA 0.197 4.547 4.350 -0.000 0.000 0.301 267 T C 0.115 174.781 174.700 -0.057 0.000 1.012 267 T CA 0.462 62.533 62.100 -0.049 0.000 1.151 267 T CB 0.008 68.843 68.868 -0.055 0.000 0.946 267 T HN 0.375 nan 8.240 nan 0.000 0.542 268 I N 1.773 122.308 120.570 -0.058 0.000 2.842 268 I HA 0.250 4.420 4.170 -0.000 0.000 0.297 268 I C -0.840 175.263 176.117 -0.022 0.000 1.380 268 I CA -0.884 60.381 61.300 -0.057 0.000 1.018 268 I CB 2.213 40.173 38.000 -0.066 0.000 1.311 268 I HN 0.726 nan 8.210 nan 0.000 0.439 269 H N 5.436 124.410 119.070 -0.160 0.000 2.597 269 H HA 0.395 4.951 4.556 -0.000 0.000 0.303 269 H C -0.830 174.403 175.328 -0.159 0.000 1.057 269 H CA -0.595 55.371 56.048 -0.136 0.000 1.261 269 H CB 0.933 30.625 29.762 -0.117 0.000 1.397 269 H HN 0.599 nan 8.280 nan 0.000 0.461 270 T N 3.549 118.130 114.554 0.044 0.000 2.729 270 T HA 0.183 4.533 4.350 -0.000 0.000 0.296 270 T C 0.005 174.639 174.700 -0.110 0.000 0.928 270 T CA -0.784 61.240 62.100 -0.128 0.000 1.045 270 T CB 0.187 68.981 68.868 -0.123 0.000 0.902 270 T HN 0.197 nan 8.240 nan 0.000 0.500 271 F N 3.752 123.386 119.950 -0.526 0.000 2.410 271 F HA 0.234 4.761 4.527 -0.000 0.000 0.334 271 F C 1.580 176.773 175.800 -1.012 0.000 1.134 271 F CA -0.922 56.670 58.000 -0.680 0.000 1.227 271 F CB -0.199 38.402 39.000 -0.666 0.000 1.194 271 F HN 0.984 nan 8.300 nan 0.000 0.571 272 H N -1.082 118.038 119.070 0.084 0.000 2.166 272 H HA -0.205 4.351 4.556 -0.000 0.000 0.323 272 H C 0.710 176.058 175.328 0.033 0.000 0.936 272 H CA 0.490 56.566 56.048 0.048 0.000 1.073 272 H CB -2.395 27.366 29.762 -0.002 0.000 1.592 272 H HN 0.513 nan 8.280 nan 0.000 0.346 273 T N -0.787 113.746 114.554 -0.035 0.000 2.897 273 T HA -0.235 4.115 4.350 -0.000 0.000 0.271 273 T C 1.771 176.587 174.700 0.194 0.000 1.084 273 T CA 1.294 63.358 62.100 -0.061 0.000 1.123 273 T CB 0.014 68.603 68.868 -0.465 0.000 0.865 273 T HN 0.710 nan 8.240 nan 0.000 0.496 274 E N 0.814 121.221 120.200 0.346 0.000 2.150 274 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 274 E C 1.915 178.575 176.600 0.099 0.000 0.985 274 E CA 1.185 57.731 56.400 0.244 0.000 0.814 274 E CB -0.289 29.513 29.700 0.170 0.000 0.752 274 E HN 0.587 nan 8.360 nan 0.000 0.466 275 G N -0.038 108.826 108.800 0.106 0.000 2.339 275 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.209 275 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.209 275 G C 1.393 176.254 174.900 -0.065 0.000 1.015 275 G CA 0.624 45.737 45.100 0.021 0.000 0.635 275 G HN 0.565 nan 8.290 nan 0.000 0.499 276 A N 0.809 123.589 122.820 -0.067 0.000 1.978 276 A HA 0.327 4.647 4.320 -0.000 0.000 0.220 276 A C 2.604 180.123 177.584 -0.109 0.000 1.170 276 A CA 2.435 54.419 52.037 -0.088 0.000 0.636 276 A CB -0.841 18.106 19.000 -0.089 0.000 0.810 276 A HN 1.669 nan 8.150 nan 0.000 0.448 277 G N -1.599 107.093 108.800 -0.180 0.000 2.813 277 G HA2 0.438 4.398 3.960 -0.000 0.000 0.209 277 G HA3 0.438 4.398 3.960 -0.000 0.000 0.209 277 G C 0.694 175.034 174.900 -0.934 0.000 1.150 277 G CA 0.742 45.567 45.100 -0.459 0.000 0.785 277 G HN 1.632 nan 8.290 nan 0.000 0.535 278 G N -2.235 106.184 108.800 -0.635 0.000 2.379 278 G HA2 0.571 4.531 3.960 -0.000 0.000 0.609 278 G HA3 0.571 4.531 3.960 -0.000 0.000 0.609 278 G C -0.260 174.483 174.900 -0.262 0.000 1.484 278 G CA -0.084 44.665 45.100 -0.584 0.000 0.921 278 G HN 1.850 nan 8.290 nan 0.000 0.658 279 G N 0.377 109.121 108.800 -0.093 0.000 2.335 279 G HA2 0.471 4.431 3.960 -0.000 0.000 0.592 279 G HA3 0.471 4.431 3.960 -0.000 0.000 0.592 279 G C -0.452 174.440 174.900 -0.013 0.000 1.442 279 G CA -0.315 44.774 45.100 -0.019 0.000 0.976 279 G HN 1.496 nan 8.290 nan 0.000 0.652 280 H N 0.112 119.211 119.070 0.049 0.000 3.232 280 H HA 0.224 4.780 4.556 -0.000 0.000 0.276 280 H C 1.149 176.489 175.328 0.019 0.000 0.882 280 H CA 1.494 57.579 56.048 0.063 0.000 1.415 280 H CB 0.338 30.150 29.762 0.085 0.000 1.405 280 H HN 0.981 nan 8.280 nan 0.000 0.543 281 A N 7.023 129.907 122.820 0.107 0.000 2.328 281 A HA 0.262 4.582 4.320 -0.000 0.000 0.284 281 A C -1.413 176.176 177.584 0.010 0.000 1.160 281 A CA -1.210 50.818 52.037 -0.016 0.000 0.818 281 A CB 0.623 19.582 19.000 -0.069 0.000 1.087 281 A HN 0.537 nan 8.150 nan 0.000 0.504 282 P HA 0.148 nan 4.420 nan 0.000 0.280 282 P C -0.552 176.674 177.300 -0.124 0.000 1.431 282 P CA 0.195 63.145 63.100 -0.248 0.000 1.058 282 P CB 0.500 31.840 31.700 -0.600 0.000 1.521 283 D N -0.794 119.590 120.400 -0.027 0.000 2.501 283 D HA 0.024 4.664 4.640 -0.000 0.000 0.226 283 D C 1.306 177.631 176.300 0.042 0.000 1.198 283 D CA -0.652 53.350 54.000 0.004 0.000 0.830 283 D CB -0.587 40.211 40.800 -0.003 0.000 1.014 283 D HN -0.027 nan 8.370 nan 0.000 0.496 284 I N 0.589 121.200 120.570 0.069 0.000 2.567 284 I HA -0.098 4.072 4.170 -0.000 0.000 0.257 284 I C 1.651 177.811 176.117 0.072 0.000 1.184 284 I CA 0.763 62.117 61.300 0.090 0.000 1.451 284 I CB -0.177 37.884 38.000 0.102 0.000 1.089 284 I HN 0.191 nan 8.210 nan 0.000 0.441 285 I N 0.367 120.987 120.570 0.083 0.000 2.700 285 I HA -0.297 3.873 4.170 -0.000 0.000 0.261 285 I C 2.032 178.226 176.117 0.128 0.000 1.219 285 I CA 1.703 63.086 61.300 0.140 0.000 1.463 285 I CB -0.310 37.773 38.000 0.140 0.000 1.092 285 I HN 0.488 nan 8.210 nan 0.000 0.452 286 T N -1.654 112.953 114.554 0.090 0.000 3.098 286 T HA 0.052 4.402 4.350 -0.000 0.000 0.266 286 T C 1.796 176.581 174.700 0.142 0.000 1.145 286 T CA 0.668 62.827 62.100 0.098 0.000 1.092 286 T CB -0.339 68.577 68.868 0.080 0.000 0.908 286 T HN 0.373 nan 8.240 nan 0.000 0.526 287 A N 1.288 124.169 122.820 0.103 0.000 2.070 287 A HA -0.029 4.291 4.320 -0.000 0.000 0.220 287 A C 2.581 180.244 177.584 0.132 0.000 1.159 287 A CA 1.211 53.308 52.037 0.101 0.000 0.656 287 A CB -1.492 17.497 19.000 -0.018 0.000 0.800 287 A HN 0.984 nan 8.150 nan 0.000 0.453 288 C N -1.944 117.397 119.300 0.068 0.000 2.485 288 C HA 0.455 4.915 4.460 -0.000 0.000 0.283 288 C C 2.273 177.295 174.990 0.053 0.000 1.478 288 C CA 0.005 59.042 59.018 0.031 0.000 1.741 288 C CB -1.731 26.048 27.740 0.066 0.000 1.675 288 C HN 0.628 nan 8.230 nan 0.000 0.573 289 A N -0.678 122.182 122.820 0.067 0.000 2.132 289 A HA 0.175 4.495 4.320 -0.000 0.000 0.213 289 A C 0.915 178.393 177.584 -0.177 0.000 1.154 289 A CA 0.133 52.130 52.037 -0.066 0.000 0.753 289 A CB -0.549 18.370 19.000 -0.135 0.000 0.826 289 A HN 0.842 nan 8.150 nan 0.000 0.469 290 H N 0.061 119.120 119.070 -0.019 0.000 2.525 290 H HA 0.162 4.718 4.556 -0.000 0.000 0.339 290 H C -1.618 173.693 175.328 -0.028 0.000 1.109 290 H CA -1.444 54.591 56.048 -0.023 0.000 1.352 290 H CB 1.196 30.943 29.762 -0.025 0.000 1.461 290 H HN 0.160 nan 8.280 nan 0.000 0.533 291 P HA -0.132 nan 4.420 nan 0.000 0.221 291 P C 0.759 178.070 177.300 0.018 0.000 1.150 291 P CA 1.066 64.180 63.100 0.023 0.000 0.800 291 P CB 0.373 32.078 31.700 0.010 0.000 0.787 292 N N -0.458 118.263 118.700 0.035 0.000 2.336 292 N HA 0.024 4.764 4.740 -0.000 0.000 0.189 292 N C 0.255 175.755 175.510 -0.016 0.000 1.113 292 N CA 0.077 53.128 53.050 0.002 0.000 0.858 292 N CB -0.015 38.471 38.487 -0.001 0.000 0.970 292 N HN 0.098 nan 8.380 nan 0.000 0.471 293 I N 1.913 122.482 120.570 -0.002 0.000 2.336 293 I HA 0.310 4.480 4.170 -0.000 0.000 0.292 293 I C -0.070 176.016 176.117 -0.051 0.000 0.991 293 I CA -0.821 60.462 61.300 -0.028 0.000 1.227 293 I CB 1.528 39.518 38.000 -0.017 0.000 1.366 293 I HN -0.064 nan 8.210 nan 0.000 0.466 294 L N 8.561 129.745 121.223 -0.065 0.000 2.283 294 L HA 0.407 4.747 4.340 -0.000 0.000 0.281 294 L C -2.365 174.459 176.870 -0.076 0.000 1.033 294 L CA -1.539 53.237 54.840 -0.106 0.000 0.848 294 L CB 1.220 43.178 42.059 -0.168 0.000 1.226 294 L HN 0.324 nan 8.230 nan 0.000 0.429 295 P HA 0.307 nan 4.420 nan 0.000 0.300 295 P C -0.912 176.220 177.300 -0.280 0.000 1.326 295 P CA -0.375 62.560 63.100 -0.275 0.000 0.844 295 P CB 1.943 33.319 31.700 -0.539 0.000 0.992 296 S N 1.757 117.383 115.700 -0.123 0.000 2.671 296 S HA 0.764 5.234 4.470 -0.000 0.000 0.299 296 S C -0.360 174.276 174.600 0.060 0.000 1.116 296 S CA -0.689 57.534 58.200 0.039 0.000 0.912 296 S CB 1.168 64.536 63.200 0.279 0.000 1.130 296 S HN 0.311 nan 8.310 nan 0.000 0.501 297 S N 1.053 116.909 115.700 0.261 0.000 2.568 297 S HA 0.779 5.249 4.470 -0.000 0.000 0.302 297 S C -0.128 174.571 174.600 0.166 0.000 1.082 297 S CA -0.785 57.608 58.200 0.322 0.000 1.009 297 S CB 1.652 65.178 63.200 0.544 0.000 1.069 297 S HN 0.981 nan 8.310 nan 0.000 0.500 298 T N 0.065 114.707 114.554 0.146 0.000 2.902 298 T HA 0.305 4.655 4.350 -0.000 0.000 0.280 298 T C 0.959 175.703 174.700 0.073 0.000 0.992 298 T CA -0.804 61.337 62.100 0.070 0.000 1.015 298 T CB 0.484 69.406 68.868 0.089 0.000 1.044 298 T HN 0.594 nan 8.240 nan 0.000 0.520 299 N N 0.349 119.066 118.700 0.029 0.000 2.422 299 N HA 0.035 4.775 4.740 -0.000 0.000 0.181 299 N C -0.914 174.625 175.510 0.048 0.000 1.080 299 N CA -0.348 52.715 53.050 0.022 0.000 0.893 299 N CB -1.241 37.233 38.487 -0.022 0.000 0.973 299 N HN 0.436 nan 8.380 nan 0.000 0.456 300 P HA -0.072 nan 4.420 nan 0.000 0.222 300 P C 0.704 178.151 177.300 0.245 0.000 1.147 300 P CA 1.398 64.581 63.100 0.138 0.000 0.790 300 P CB -0.213 31.538 31.700 0.085 0.000 0.780 301 T N -3.350 111.303 114.554 0.164 0.000 3.129 301 T HA 0.191 4.541 4.350 -0.000 0.000 0.251 301 T C 0.799 175.537 174.700 0.063 0.000 1.117 301 T CA -0.057 62.072 62.100 0.049 0.000 1.034 301 T CB -0.523 68.325 68.868 -0.033 0.000 0.968 301 T HN -0.007 nan 8.240 nan 0.000 0.526 302 L N 3.344 124.608 121.223 0.068 0.000 2.280 302 L HA 0.521 4.861 4.340 -0.000 0.000 0.287 302 L C -2.445 174.453 176.870 0.047 0.000 1.023 302 L CA -2.334 52.533 54.840 0.045 0.000 0.819 302 L CB 1.546 43.604 42.059 -0.002 0.000 1.212 302 L HN -0.005 nan 8.230 nan 0.000 0.420 303 P HA 0.117 nan 4.420 nan 0.000 0.286 303 P C -1.267 176.122 177.300 0.148 0.000 1.292 303 P CA -0.750 62.408 63.100 0.096 0.000 0.842 303 P CB 1.133 32.887 31.700 0.091 0.000 1.207 304 Y N 1.768 122.072 120.300 0.006 0.000 2.677 304 Y HA 0.247 4.797 4.550 -0.000 0.000 0.335 304 Y C 0.327 176.234 175.900 0.011 0.000 1.162 304 Y CA 0.377 58.474 58.100 -0.004 0.000 1.483 304 Y CB -0.702 37.751 38.460 -0.011 0.000 1.209 304 Y HN 0.410 nan 8.280 nan 0.000 0.528 305 T N 2.740 117.274 114.554 -0.035 0.000 2.864 305 T HA 0.397 4.747 4.350 -0.000 0.000 0.289 305 T C 0.992 175.573 174.700 -0.200 0.000 1.082 305 T CA -0.858 61.150 62.100 -0.155 0.000 1.009 305 T CB 0.866 69.718 68.868 -0.028 0.000 1.234 305 T HN 0.580 nan 8.240 nan 0.000 0.526 306 L N 0.552 121.684 121.223 -0.151 0.000 2.127 306 L HA -0.051 4.289 4.340 -0.000 0.000 0.211 306 L C 2.167 179.024 176.870 -0.021 0.000 1.089 306 L CA 1.177 55.956 54.840 -0.101 0.000 0.757 306 L CB -0.457 41.561 42.059 -0.068 0.000 0.899 306 L HN 0.659 nan 8.230 nan 0.000 0.434 307 N N -1.318 117.386 118.700 0.008 0.000 2.353 307 N HA -0.028 4.712 4.740 -0.000 0.000 0.185 307 N C 1.628 177.191 175.510 0.088 0.000 1.098 307 N CA 0.555 53.630 53.050 0.041 0.000 0.872 307 N CB 0.229 38.735 38.487 0.033 0.000 0.970 307 N HN 0.223 nan 8.380 nan 0.000 0.467 308 T N 2.232 116.856 114.554 0.116 0.000 2.624 308 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 308 T C 1.951 176.776 174.700 0.209 0.000 1.041 308 T CA 0.887 63.102 62.100 0.191 0.000 1.159 308 T CB 0.028 69.006 68.868 0.183 0.000 0.863 308 T HN 0.107 nan 8.240 nan 0.000 0.434 309 I N 1.922 122.578 120.570 0.142 0.000 2.142 309 I HA -0.129 4.041 4.170 -0.000 0.000 0.240 309 I C 2.285 178.471 176.117 0.114 0.000 1.078 309 I CA 1.370 62.736 61.300 0.109 0.000 1.343 309 I CB -1.333 36.724 38.000 0.095 0.000 1.046 309 I HN 0.309 nan 8.210 nan 0.000 0.405 310 D N 0.595 121.050 120.400 0.091 0.000 2.133 310 D HA -0.262 4.378 4.640 -0.000 0.000 0.195 310 D C 1.993 178.333 176.300 0.067 0.000 0.997 310 D CA 1.542 55.582 54.000 0.066 0.000 0.840 310 D CB -0.108 40.721 40.800 0.048 0.000 0.947 310 D HN 0.548 nan 8.370 nan 0.000 0.452 311 E N 0.281 120.532 120.200 0.086 0.000 2.047 311 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 311 E C 1.936 178.550 176.600 0.024 0.000 0.987 311 E CA 1.003 57.432 56.400 0.048 0.000 0.799 311 E CB 0.008 29.739 29.700 0.051 0.000 0.752 311 E HN 0.333 nan 8.360 nan 0.000 0.449 312 H N 0.372 119.442 119.070 0.000 0.000 2.357 312 H HA -0.003 4.553 4.556 -0.000 0.000 0.301 312 H C 2.148 177.466 175.328 -0.016 0.000 1.082 312 H CA 1.508 57.549 56.048 -0.012 0.000 1.342 312 H CB -0.081 29.673 29.762 -0.014 0.000 1.389 312 H HN 0.127 nan 8.280 nan 0.000 0.511 313 L N 0.045 121.341 121.223 0.121 0.000 2.042 313 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 313 L C 2.166 179.059 176.870 0.037 0.000 1.076 313 L CA 1.504 56.382 54.840 0.063 0.000 0.749 313 L CB -0.212 41.880 42.059 0.054 0.000 0.893 313 L HN 0.411 nan 8.230 nan 0.000 0.432 314 D N -0.503 119.912 120.400 0.024 0.000 2.183 314 D HA -0.160 4.480 4.640 -0.000 0.000 0.205 314 D C 2.241 178.530 176.300 -0.018 0.000 0.962 314 D CA 0.716 54.718 54.000 0.005 0.000 0.849 314 D CB 0.207 41.007 40.800 -0.000 0.000 0.978 314 D HN 0.250 nan 8.370 nan 0.000 0.488 315 M N 0.346 119.918 119.600 -0.046 0.000 2.202 315 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 315 M C 0.827 177.093 176.300 -0.057 0.000 1.063 315 M CA 0.703 55.951 55.300 -0.086 0.000 1.097 315 M CB 0.123 32.615 32.600 -0.180 0.000 1.382 315 M HN -0.063 nan 8.290 nan 0.000 0.413 333 A N 0.985 123.786 122.820 -0.032 0.000 1.930 333 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 333 A C 1.771 179.273 177.584 -0.136 0.000 1.175 333 A CA 1.823 53.770 52.037 -0.150 0.000 0.627 333 A CB -0.724 18.301 19.000 0.041 0.000 0.815 333 A HN 0.627 nan 8.150 nan 0.000 0.443 334 E N 0.314 120.492 120.200 -0.038 0.000 2.347 334 E HA -0.093 4.257 4.350 -0.000 0.000 0.196 334 E C 2.054 178.652 176.600 -0.003 0.000 1.008 334 E CA 0.989 57.392 56.400 0.005 0.000 0.852 334 E CB -0.093 29.645 29.700 0.064 0.000 0.783 334 E HN 0.785 nan 8.360 nan 0.000 0.505 335 S N 0.456 116.108 115.700 -0.080 0.000 2.470 335 S HA -0.006 4.464 4.470 -0.000 0.000 0.225 335 S C 1.934 176.355 174.600 -0.299 0.000 1.006 335 S CA 0.204 58.323 58.200 -0.135 0.000 0.934 335 S CB 0.209 63.368 63.200 -0.067 0.000 0.778 335 S HN 0.082 nan 8.310 nan 0.000 0.517 336 R N 0.057 120.364 120.500 -0.322 0.000 2.146 336 R HA 0.312 4.652 4.340 -0.000 0.000 0.206 336 R C -0.208 175.962 176.300 -0.217 0.000 1.049 336 R CA 0.327 56.242 56.100 -0.308 0.000 1.029 336 R CB 0.221 30.277 30.300 -0.407 0.000 0.949 336 R HN 0.313 nan 8.270 nan 0.000 0.471 337 I N 3.175 123.644 120.570 -0.167 0.000 2.310 337 I HA 0.245 4.415 4.170 -0.000 0.000 0.287 337 I C -0.738 175.319 176.117 -0.100 0.000 1.073 337 I CA -0.098 61.133 61.300 -0.114 0.000 1.216 337 I CB 0.906 38.878 38.000 -0.047 0.000 1.415 337 I HN 0.095 nan 8.210 nan 0.000 0.480 338 R N 4.463 124.883 120.500 -0.134 0.000 2.393 338 R HA 0.405 4.744 4.340 -0.000 0.000 0.315 338 R C 1.159 177.388 176.300 -0.118 0.000 0.952 338 R CA -0.712 55.336 56.100 -0.087 0.000 0.842 338 R CB 2.265 32.477 30.300 -0.146 0.000 1.163 338 R HN 0.413 nan 8.270 nan 0.000 0.450 339 R N 1.906 122.358 120.500 -0.081 0.000 2.105 339 R HA -0.199 4.141 4.340 -0.000 0.000 0.239 339 R C 0.596 176.756 176.300 -0.233 0.000 1.135 339 R CA 1.821 57.819 56.100 -0.170 0.000 0.967 339 R CB 0.278 30.559 30.300 -0.032 0.000 0.861 339 R HN 0.588 nan 8.270 nan 0.000 0.442 340 E N -0.539 119.606 120.200 -0.092 0.000 2.051 340 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 340 E C 1.984 178.516 176.600 -0.114 0.000 0.991 340 E CA 2.214 58.574 56.400 -0.067 0.000 0.799 340 E CB -0.197 29.529 29.700 0.043 0.000 0.748 340 E HN 0.565 nan 8.360 nan 0.000 0.449 341 T N -1.510 112.971 114.554 -0.122 0.000 3.014 341 T HA 0.059 4.409 4.350 -0.000 0.000 0.263 341 T C 1.977 176.565 174.700 -0.187 0.000 1.078 341 T CA 0.391 62.414 62.100 -0.128 0.000 1.135 341 T CB -0.226 68.581 68.868 -0.102 0.000 0.895 341 T HN 0.030 nan 8.240 nan 0.000 0.480 342 I N 1.688 122.098 120.570 -0.266 0.000 2.315 342 I HA -0.028 4.142 4.170 -0.000 0.000 0.248 342 I C 3.116 178.982 176.117 -0.419 0.000 1.117 342 I CA 1.083 62.182 61.300 -0.334 0.000 1.404 342 I CB -0.434 37.318 38.000 -0.415 0.000 1.071 342 I HN 0.338 nan 8.210 nan 0.000 0.419 343 A N 0.616 123.100 122.820 -0.560 0.000 1.929 343 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 343 A C 2.510 180.004 177.584 -0.150 0.000 1.176 343 A CA 1.557 53.351 52.037 -0.404 0.000 0.628 343 A CB -0.648 18.155 19.000 -0.329 0.000 0.816 343 A HN 0.403 nan 8.150 nan 0.000 0.444 344 A N -0.177 122.547 122.820 -0.160 0.000 1.930 344 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 344 A C 1.987 179.457 177.584 -0.190 0.000 1.175 344 A CA 1.630 53.590 52.037 -0.129 0.000 0.627 344 A CB -0.528 18.404 19.000 -0.114 0.000 0.815 344 A HN 0.675 nan 8.150 nan 0.000 0.443 345 E N 0.066 120.117 120.200 -0.248 0.000 2.130 345 E HA -0.290 4.060 4.350 -0.000 0.000 0.196 345 E C 1.121 177.588 176.600 -0.221 0.000 0.998 345 E CA 1.636 57.795 56.400 -0.402 0.000 0.806 345 E CB -0.192 29.341 29.700 -0.279 0.000 0.738 345 E HN 0.537 nan 8.360 nan 0.000 0.459 346 D N -0.059 120.309 120.400 -0.054 0.000 2.117 346 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 346 D C 2.056 178.397 176.300 0.069 0.000 0.987 346 D CA 1.192 55.231 54.000 0.065 0.000 0.829 346 D CB -0.162 40.690 40.800 0.087 0.000 0.961 346 D HN 0.128 nan 8.370 nan 0.000 0.460 347 V N 0.864 120.779 119.914 0.002 0.000 2.358 347 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 347 V C 2.574 178.650 176.094 -0.030 0.000 1.047 347 V CA 1.002 63.308 62.300 0.010 0.000 1.035 347 V CB -0.477 31.342 31.823 -0.007 0.000 0.658 347 V HN 0.200 nan 8.190 nan 0.000 0.452 348 L N -0.802 120.330 121.223 -0.153 0.000 2.191 348 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 348 L C 2.448 179.203 176.870 -0.192 0.000 1.103 348 L CA 1.628 56.337 54.840 -0.217 0.000 0.769 348 L CB -0.683 41.106 42.059 -0.450 0.000 0.908 348 L HN 0.423 nan 8.230 nan 0.000 0.438 349 H N -1.082 117.889 119.070 -0.165 0.000 2.363 349 H HA -0.163 4.393 4.556 -0.000 0.000 0.301 349 H C 1.936 177.171 175.328 -0.154 0.000 1.074 349 H CA 1.481 57.453 56.048 -0.126 0.000 1.354 349 H CB 0.204 29.908 29.762 -0.098 0.000 1.397 349 H HN 0.179 nan 8.280 nan 0.000 0.516 350 D N -0.002 120.479 120.400 0.134 0.000 2.178 350 D HA -0.106 4.533 4.640 -0.000 0.000 0.201 350 D C 1.613 177.981 176.300 0.113 0.000 0.980 350 D CA 0.756 54.873 54.000 0.195 0.000 0.842 350 D CB 0.017 40.953 40.800 0.228 0.000 0.948 350 D HN 0.322 nan 8.370 nan 0.000 0.472 351 L N -1.468 119.794 121.223 0.064 0.000 2.509 351 L HA 0.222 4.561 4.340 -0.000 0.000 0.222 351 L C 1.634 178.539 176.870 0.058 0.000 1.123 351 L CA 0.517 55.395 54.840 0.064 0.000 0.856 351 L CB 0.019 42.101 42.059 0.039 0.000 0.985 351 L HN 0.234 nan 8.230 nan 0.000 0.456 352 G N -0.436 108.377 108.800 0.022 0.000 2.141 352 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.242 352 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.242 352 G C 0.937 175.854 174.900 0.030 0.000 0.982 352 G CA 0.392 45.506 45.100 0.023 0.000 0.662 352 G HN 0.400 nan 8.290 nan 0.000 0.527 353 A N -0.947 121.897 122.820 0.040 0.000 2.016 353 A HA 0.611 4.931 4.320 -0.000 0.000 0.217 353 A C 0.654 178.344 177.584 0.176 0.000 1.162 353 A CA 0.864 52.957 52.037 0.093 0.000 0.662 353 A CB 0.009 19.073 19.000 0.106 0.000 0.812 353 A HN 0.597 nan 8.150 nan 0.000 0.450 354 F N -0.250 119.545 119.950 -0.258 0.000 2.427 354 F HA 0.425 4.952 4.527 -0.000 0.000 0.346 354 F C 1.130 176.780 175.800 -0.251 0.000 1.120 354 F CA -1.015 56.762 58.000 -0.371 0.000 1.033 354 F CB 2.010 40.458 39.000 -0.919 0.000 1.126 354 F HN -0.020 nan 8.300 nan 0.000 0.462 355 S N 2.464 118.140 115.700 -0.039 0.000 2.502 355 S HA 0.336 4.806 4.470 -0.000 0.000 0.215 355 S C -0.143 174.469 174.600 0.020 0.000 1.009 355 S CA 0.060 58.249 58.200 -0.019 0.000 0.908 355 S CB 0.305 63.466 63.200 -0.065 0.000 0.801 355 S HN 0.258 nan 8.310 nan 0.000 0.505 356 L N 1.251 122.524 121.223 0.083 0.000 2.359 356 L HA 0.603 4.943 4.340 -0.000 0.000 0.256 356 L C -0.210 176.791 176.870 0.219 0.000 1.026 356 L CA -0.418 54.487 54.840 0.109 0.000 0.828 356 L CB 1.830 43.921 42.059 0.053 0.000 1.406 356 L HN 0.038 nan 8.230 nan 0.000 0.413 357 T N -2.116 112.528 114.554 0.150 0.000 2.893 357 T HA 0.938 5.288 4.350 -0.000 0.000 0.291 357 T C -0.422 174.317 174.700 0.066 0.000 1.028 357 T CA -0.546 61.619 62.100 0.108 0.000 0.995 357 T CB 1.832 70.713 68.868 0.023 0.000 1.051 357 T HN 0.779 nan 8.240 nan 0.000 0.470 358 S N 0.584 116.293 115.700 0.016 0.000 2.705 358 S HA 0.692 5.162 4.470 -0.000 0.000 0.280 358 S C 0.889 175.447 174.600 -0.069 0.000 1.174 358 S CA -0.104 58.067 58.200 -0.047 0.000 0.823 358 S CB 1.172 64.297 63.200 -0.125 0.000 1.162 358 S HN 1.096 nan 8.310 nan 0.000 0.487 359 S N 0.030 115.670 115.700 -0.100 0.000 2.433 359 S HA 0.278 4.748 4.470 -0.000 0.000 0.216 359 S C 0.153 174.716 174.600 -0.061 0.000 1.031 359 S CA 1.093 59.245 58.200 -0.080 0.000 0.931 359 S CB -0.797 62.350 63.200 -0.088 0.000 0.875 359 S HN 1.138 nan 8.310 nan 0.000 0.553 360 D N 1.485 121.849 120.400 -0.060 0.000 2.838 360 D HA -0.117 4.523 4.640 -0.000 0.000 0.237 360 D C -0.416 175.905 176.300 0.035 0.000 1.059 360 D CA 0.656 54.689 54.000 0.055 0.000 0.763 360 D CB -1.842 38.993 40.800 0.058 0.000 1.070 360 D HN 0.673 nan 8.370 nan 0.000 0.437 361 S N 0.713 116.422 115.700 0.015 0.000 2.784 361 S HA 0.006 4.475 4.470 -0.000 0.000 0.322 361 S C 1.016 175.557 174.600 -0.099 0.000 1.234 361 S CA 0.913 59.082 58.200 -0.052 0.000 1.064 361 S CB 0.963 64.109 63.200 -0.090 0.000 0.787 361 S HN 0.430 nan 8.310 nan 0.000 0.506 362 Q N 0.173 119.905 119.800 -0.114 0.000 2.461 362 Q HA -0.278 4.062 4.340 -0.000 0.000 0.264 362 Q C 0.238 176.103 176.000 -0.224 0.000 1.085 362 Q CA 1.017 56.741 55.803 -0.133 0.000 1.006 362 Q CB -2.055 26.640 28.738 -0.073 0.000 1.437 362 Q HN 1.251 nan 8.270 nan 0.000 0.514 363 A N 0.162 122.803 122.820 -0.298 0.000 3.474 363 A HA 0.552 4.872 4.320 -0.000 0.000 0.251 363 A C 0.400 177.861 177.584 -0.205 0.000 1.062 363 A CA 0.100 51.909 52.037 -0.380 0.000 0.945 363 A CB 0.487 18.894 19.000 -0.988 0.000 1.296 363 A HN 0.341 nan 8.150 nan 0.000 0.592 364 M N -1.147 118.362 119.600 -0.152 0.000 2.678 364 M HA -0.156 4.324 4.480 -0.000 0.000 0.216 364 M C 0.267 176.519 176.300 -0.080 0.000 0.463 364 M CA 1.082 56.312 55.300 -0.117 0.000 0.656 364 M CB -1.397 31.153 32.600 -0.083 0.000 2.445 364 M HN 1.345 nan 8.290 nan 0.000 0.740 365 G N 0.447 109.192 108.800 -0.091 0.000 2.579 365 G HA2 0.674 4.634 3.960 -0.000 0.000 0.292 365 G HA3 0.674 4.634 3.960 -0.000 0.000 0.292 365 G C -1.409 173.444 174.900 -0.078 0.000 1.484 365 G CA -1.122 43.940 45.100 -0.064 0.000 0.813 365 G HN 0.245 nan 8.290 nan 0.000 0.515 366 R N 1.449 121.906 120.500 -0.072 0.000 2.337 366 R HA 0.399 4.739 4.340 -0.000 0.000 0.319 366 R C 0.978 177.231 176.300 -0.079 0.000 0.954 366 R CA -0.742 55.310 56.100 -0.080 0.000 0.840 366 R CB 2.081 32.330 30.300 -0.086 0.000 1.164 366 R HN 0.320 nan 8.270 nan 0.000 0.472 367 V N 2.815 122.682 119.914 -0.078 0.000 2.453 367 V HA -0.169 3.951 4.120 -0.000 0.000 0.252 367 V C 1.500 177.551 176.094 -0.072 0.000 1.068 367 V CA 2.585 64.838 62.300 -0.078 0.000 1.070 367 V CB -0.084 31.695 31.823 -0.074 0.000 0.664 367 V HN 1.003 nan 8.190 nan 0.000 0.461 368 G N -1.444 107.314 108.800 -0.070 0.000 3.284 368 G HA2 0.102 4.062 3.960 -0.000 0.000 0.236 368 G HA3 0.102 4.062 3.960 -0.000 0.000 0.236 368 G C 0.790 175.650 174.900 -0.067 0.000 1.158 368 G CA 0.095 45.158 45.100 -0.062 0.000 0.774 368 G HN 0.615 nan 8.290 nan 0.000 0.545 369 E N 0.085 120.236 120.200 -0.082 0.000 2.693 369 E HA 0.147 4.497 4.350 -0.000 0.000 0.214 369 E C 1.470 178.011 176.600 -0.098 0.000 0.990 369 E CA -0.230 56.120 56.400 -0.084 0.000 1.047 369 E CB 1.084 30.729 29.700 -0.092 0.000 1.039 369 E HN 0.198 nan 8.360 nan 0.000 0.475 370 V N 0.863 120.704 119.914 -0.121 0.000 2.307 370 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 370 V C 2.158 178.088 176.094 -0.274 0.000 1.045 370 V CA 1.566 63.771 62.300 -0.159 0.000 1.024 370 V CB -0.263 31.473 31.823 -0.145 0.000 0.651 370 V HN 0.341 nan 8.190 nan 0.000 0.449 371 I N -0.350 119.997 120.570 -0.372 0.000 2.163 371 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 371 I C 2.464 178.460 176.117 -0.201 0.000 1.081 371 I CA 1.584 62.551 61.300 -0.555 0.000 1.353 371 I CB -0.397 37.311 38.000 -0.487 0.000 1.054 371 I HN 0.281 nan 8.210 nan 0.000 0.407 372 L N 1.077 122.254 121.223 -0.076 0.000 1.997 372 L HA -0.294 4.046 4.340 -0.000 0.000 0.216 372 L C 2.842 179.720 176.870 0.015 0.000 1.074 372 L CA 1.830 56.680 54.840 0.017 0.000 0.763 372 L CB -0.298 41.773 42.059 0.021 0.000 0.890 372 L HN 0.154 nan 8.230 nan 0.000 0.434 373 R N -1.136 119.337 120.500 -0.046 0.000 2.115 373 R HA -0.105 4.235 4.340 -0.000 0.000 0.230 373 R C 2.124 178.382 176.300 -0.069 0.000 1.111 373 R CA 1.693 57.769 56.100 -0.039 0.000 0.976 373 R CB -0.527 29.747 30.300 -0.043 0.000 0.870 373 R HN 0.436 nan 8.270 nan 0.000 0.445 374 T N -0.136 114.320 114.554 -0.163 0.000 2.746 374 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 374 T C 1.218 175.744 174.700 -0.291 0.000 1.039 374 T CA 1.303 63.261 62.100 -0.237 0.000 1.142 374 T CB -0.189 68.493 68.868 -0.311 0.000 0.866 374 T HN 0.452 nan 8.240 nan 0.000 0.444 375 W N 1.414 122.726 121.300 0.020 0.000 2.467 375 W HA 0.038 4.698 4.660 -0.000 0.000 0.275 375 W C 2.596 179.079 176.519 -0.059 0.000 1.239 375 W CA -0.053 57.271 57.345 -0.034 0.000 1.266 375 W CB -0.177 29.278 29.460 -0.008 0.000 1.112 375 W HN 0.292 nan 8.180 nan 0.000 0.576 376 Q N -0.021 119.864 119.800 0.142 0.000 2.167 376 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 376 Q C 2.115 178.174 176.000 0.098 0.000 0.970 376 Q CA 1.425 57.292 55.803 0.106 0.000 0.855 376 Q CB -0.395 28.381 28.738 0.063 0.000 0.911 376 Q HN 0.194 nan 8.270 nan 0.000 0.438 377 V N 0.881 120.815 119.914 0.033 0.000 2.307 377 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 377 V C 2.279 178.337 176.094 -0.060 0.000 1.045 377 V CA 1.818 64.139 62.300 0.036 0.000 1.024 377 V CB -0.963 30.908 31.823 0.080 0.000 0.651 377 V HN 0.387 nan 8.190 nan 0.000 0.449 378 A N -0.186 122.420 122.820 -0.356 0.000 1.908 378 A HA -0.327 3.993 4.320 -0.000 0.000 0.218 378 A C 2.115 179.610 177.584 -0.148 0.000 1.181 378 A CA 2.495 54.158 52.037 -0.624 0.000 0.627 378 A CB -0.906 17.596 19.000 -0.830 0.000 0.818 378 A HN 0.797 nan 8.150 nan 0.000 0.445 379 H N -0.682 118.340 119.070 -0.080 0.000 2.293 379 H HA -0.075 4.481 4.556 -0.000 0.000 0.300 379 H C 2.228 177.554 175.328 -0.004 0.000 1.082 379 H CA 1.937 57.974 56.048 -0.018 0.000 1.308 379 H CB -0.020 29.747 29.762 0.008 0.000 1.375 379 H HN 0.226 nan 8.280 nan 0.000 0.495 380 R N -0.237 120.273 120.500 0.017 0.000 2.120 380 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 380 R C 2.169 178.442 176.300 -0.045 0.000 1.123 380 R CA 1.181 57.271 56.100 -0.018 0.000 0.975 380 R CB -0.280 30.072 30.300 0.086 0.000 0.866 380 R HN 0.481 nan 8.270 nan 0.000 0.446 381 M N 0.231 119.821 119.600 -0.016 0.000 2.236 381 M HA -0.067 4.413 4.480 -0.000 0.000 0.266 381 M C 2.106 178.401 176.300 -0.009 0.000 1.070 381 M CA 1.153 56.465 55.300 0.020 0.000 1.137 381 M CB -0.623 32.033 32.600 0.093 0.000 1.378 381 M HN 0.039 nan 8.290 nan 0.000 0.426 382 K N 0.497 120.865 120.400 -0.053 0.000 2.026 382 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 382 K C 1.837 178.394 176.600 -0.072 0.000 1.048 382 K CA 1.285 57.546 56.287 -0.044 0.000 0.929 382 K CB -0.009 32.462 32.500 -0.049 0.000 0.713 382 K HN 0.060 nan 8.250 nan 0.000 0.439 383 V N 1.626 121.445 119.914 -0.159 0.000 2.332 383 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 383 V C 2.314 178.370 176.094 -0.063 0.000 1.055 383 V CA 2.042 64.255 62.300 -0.144 0.000 1.038 383 V CB -0.429 31.248 31.823 -0.244 0.000 0.651 383 V HN 0.461 nan 8.190 nan 0.000 0.450 384 Q N -0.831 118.943 119.800 -0.043 0.000 2.204 384 Q HA 0.036 4.375 4.340 -0.000 0.000 0.198 384 Q C 2.135 178.138 176.000 0.005 0.000 0.946 384 Q CA 0.782 56.579 55.803 -0.009 0.000 0.859 384 Q CB 0.075 28.818 28.738 0.008 0.000 0.946 384 Q HN 0.576 nan 8.270 nan 0.000 0.474 385 R N -0.226 120.281 120.500 0.012 0.000 2.365 385 R HA 0.262 4.602 4.340 -0.000 0.000 0.223 385 R C 0.714 177.029 176.300 0.025 0.000 0.899 385 R CA 0.460 56.574 56.100 0.025 0.000 1.059 385 R CB 1.130 31.455 30.300 0.042 0.000 1.086 385 R HN 0.204 nan 8.270 nan 0.000 0.522 386 G N 1.641 110.451 108.800 0.017 0.000 2.553 386 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.242 386 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.242 386 G C -0.314 174.609 174.900 0.038 0.000 1.277 386 G CA -0.341 44.772 45.100 0.020 0.000 0.910 386 G HN 0.432 nan 8.290 nan 0.000 0.576 387 A N -0.475 122.369 122.820 0.040 0.000 2.371 387 A HA 0.673 4.993 4.320 -0.000 0.000 0.257 387 A C 0.821 178.447 177.584 0.070 0.000 1.089 387 A CA -0.050 52.022 52.037 0.058 0.000 0.794 387 A CB 0.246 19.272 19.000 0.044 0.000 1.029 387 A HN 1.173 nan 8.150 nan 0.000 0.488 388 L N 1.429 122.716 121.223 0.107 0.000 2.452 388 L HA 0.215 4.555 4.340 -0.000 0.000 0.267 388 L C 1.830 178.732 176.870 0.053 0.000 1.188 388 L CA -0.009 54.902 54.840 0.119 0.000 0.821 388 L CB 0.806 43.005 42.059 0.233 0.000 1.102 388 L HN 0.920 nan 8.230 nan 0.000 0.470 389 A N 1.713 124.547 122.820 0.024 0.000 2.024 389 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 389 A C 1.822 179.354 177.584 -0.087 0.000 1.164 389 A CA 1.530 53.554 52.037 -0.022 0.000 0.643 389 A CB -0.375 18.613 19.000 -0.021 0.000 0.806 389 A HN 0.877 nan 8.150 nan 0.000 0.451 390 E N 0.473 120.571 120.200 -0.170 0.000 2.435 390 E HA 0.034 4.384 4.350 -0.000 0.000 0.195 390 E C 0.280 176.703 176.600 -0.295 0.000 1.029 390 E CA 0.038 56.190 56.400 -0.415 0.000 0.865 390 E CB 0.093 29.116 29.700 -1.127 0.000 0.833 390 E HN 0.488 nan 8.360 nan 0.000 0.510 391 E N 0.656 120.812 120.200 -0.072 0.000 2.415 391 E HA 0.086 4.436 4.350 -0.000 0.000 0.262 391 E C -0.168 176.428 176.600 -0.007 0.000 1.038 391 E CA 0.464 56.881 56.400 0.028 0.000 0.921 391 E CB 1.228 30.974 29.700 0.076 0.000 0.950 391 E HN -0.088 nan 8.360 nan 0.000 0.438 392 T N 0.363 114.928 114.554 0.019 0.000 2.912 392 T HA 0.575 4.925 4.350 -0.000 0.000 0.299 392 T C -0.303 174.411 174.700 0.023 0.000 1.052 392 T CA 0.451 62.556 62.100 0.008 0.000 0.996 392 T CB 1.022 69.891 68.868 0.002 0.000 1.070 392 T HN 0.719 nan 8.240 nan 0.000 0.465 393 G N 3.411 112.218 108.800 0.011 0.000 2.829 393 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.628 393 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.628 393 G C -0.583 174.320 174.900 0.005 0.000 1.412 393 G CA -0.114 44.992 45.100 0.009 0.000 0.864 393 G HN 0.879 nan 8.290 nan 0.000 0.544 394 D N 1.386 121.781 120.400 -0.010 0.000 2.639 394 D HA 0.427 5.067 4.640 -0.000 0.000 0.233 394 D C 0.776 177.063 176.300 -0.023 0.000 1.161 394 D CA 0.365 54.348 54.000 -0.028 0.000 1.003 394 D CB -0.551 40.212 40.800 -0.061 0.000 1.034 394 D HN 0.722 nan 8.370 nan 0.000 0.514 395 N N -0.358 118.353 118.700 0.020 0.000 3.106 395 N HA 0.175 4.915 4.740 -0.000 0.000 0.253 395 N C -0.954 174.607 175.510 0.085 0.000 1.506 395 N CA -0.704 52.383 53.050 0.060 0.000 0.876 395 N CB 1.029 39.554 38.487 0.064 0.000 1.452 395 N HN -0.148 nan 8.380 nan 0.000 0.542 396 D N -0.385 120.078 120.400 0.105 0.000 2.593 396 D HA 0.138 4.778 4.640 -0.000 0.000 0.241 396 D C 0.234 176.586 176.300 0.087 0.000 1.257 396 D CA -0.232 53.829 54.000 0.103 0.000 0.828 396 D CB 0.019 40.879 40.800 0.101 0.000 1.049 396 D HN 0.349 nan 8.370 nan 0.000 0.490 397 N N 0.806 119.554 118.700 0.079 0.000 2.060 397 N HA -0.200 4.540 4.740 -0.000 0.000 0.195 397 N C 1.417 176.964 175.510 0.062 0.000 1.028 397 N CA 0.884 53.967 53.050 0.055 0.000 0.861 397 N CB -0.460 38.064 38.487 0.061 0.000 1.029 397 N HN 0.272 nan 8.380 nan 0.000 0.428 398 F N 1.453 121.405 119.950 0.004 0.000 2.146 398 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 398 F C 2.541 178.355 175.800 0.023 0.000 1.096 398 F CA 1.129 59.111 58.000 -0.031 0.000 1.275 398 F CB -0.028 38.950 39.000 -0.035 0.000 1.008 398 F HN -0.064 nan 8.300 nan 0.000 0.480 399 R N -0.108 120.438 120.500 0.076 0.000 2.096 399 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 399 R C 1.982 178.379 176.300 0.161 0.000 1.127 399 R CA 1.690 57.867 56.100 0.128 0.000 0.968 399 R CB -0.487 29.923 30.300 0.184 0.000 0.861 399 R HN 0.282 nan 8.270 nan 0.000 0.440 400 V N 1.276 121.263 119.914 0.121 0.000 2.358 400 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 400 V C 2.072 178.281 176.094 0.191 0.000 1.047 400 V CA 1.903 64.354 62.300 0.252 0.000 1.035 400 V CB -0.342 31.518 31.823 0.061 0.000 0.658 400 V HN 0.366 nan 8.190 nan 0.000 0.452 401 K N -0.037 120.321 120.400 -0.070 0.000 2.097 401 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 401 K C 2.347 178.859 176.600 -0.147 0.000 1.050 401 K CA 1.398 57.605 56.287 -0.132 0.000 0.938 401 K CB -0.238 32.075 32.500 -0.311 0.000 0.718 401 K HN 0.346 nan 8.250 nan 0.000 0.442 402 R N 0.211 120.478 120.500 -0.388 0.000 2.081 402 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 402 R C 1.708 177.911 176.300 -0.161 0.000 1.131 402 R CA 1.554 57.484 56.100 -0.284 0.000 0.960 402 R CB -0.219 29.856 30.300 -0.375 0.000 0.856 402 R HN 0.186 nan 8.270 nan 0.000 0.436 403 Y N 0.191 120.397 120.300 -0.156 0.000 2.286 403 Y HA -0.030 4.520 4.550 -0.000 0.000 0.293 403 Y C 2.137 177.797 175.900 -0.401 0.000 1.124 403 Y CA 1.111 59.042 58.100 -0.280 0.000 1.178 403 Y CB -0.077 38.115 38.460 -0.447 0.000 1.010 403 Y HN 0.077 nan 8.280 nan 0.000 0.536 404 I N -0.425 120.088 120.570 -0.094 0.000 2.394 404 I HA -0.271 3.899 4.170 -0.000 0.000 0.251 404 I C 2.266 178.135 176.117 -0.414 0.000 1.136 404 I CA 1.156 62.300 61.300 -0.260 0.000 1.425 404 I CB -0.123 37.975 38.000 0.164 0.000 1.079 404 I HN 0.202 nan 8.210 nan 0.000 0.425 405 A N 0.544 123.266 122.820 -0.163 0.000 2.070 405 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 405 A C 2.170 179.654 177.584 -0.167 0.000 1.159 405 A CA 1.384 53.346 52.037 -0.125 0.000 0.656 405 A CB -0.425 18.551 19.000 -0.039 0.000 0.800 405 A HN 0.423 nan 8.150 nan 0.000 0.453 406 K N -1.335 118.953 120.400 -0.186 0.000 2.211 406 K HA -0.133 4.187 4.320 -0.000 0.000 0.203 406 K C 1.090 177.695 176.600 0.008 0.000 1.050 406 K CA 1.665 57.904 56.287 -0.080 0.000 0.945 406 K CB -0.223 32.244 32.500 -0.056 0.000 0.732 406 K HN 0.915 nan 8.250 nan 0.000 0.451 407 Y N -1.652 118.638 120.300 -0.018 0.000 2.557 407 Y HA 0.282 4.832 4.550 -0.000 0.000 0.247 407 Y C 1.167 177.098 175.900 0.053 0.000 1.164 407 Y CA -0.225 57.880 58.100 0.009 0.000 1.218 407 Y CB -0.296 38.159 38.460 -0.008 0.000 1.210 407 Y HN -0.068 nan 8.280 nan 0.000 0.529 408 T N -2.601 111.906 114.554 -0.078 0.000 3.409 408 T HA 0.125 4.475 4.350 -0.000 0.000 0.188 408 T C 1.351 176.064 174.700 0.023 0.000 0.929 408 T CA 0.640 62.749 62.100 0.015 0.000 1.184 408 T CB -0.784 68.077 68.868 -0.012 0.000 1.570 408 T HN 0.094 nan 8.240 nan 0.000 0.367 409 I N 2.925 123.488 120.570 -0.012 0.000 2.315 409 I HA -0.007 4.163 4.170 -0.000 0.000 0.248 409 I C 1.900 177.973 176.117 -0.074 0.000 1.117 409 I CA 1.293 62.567 61.300 -0.045 0.000 1.404 409 I CB -0.751 37.153 38.000 -0.161 0.000 1.071 409 I HN 0.249 nan 8.210 nan 0.000 0.419 410 N N 0.753 119.399 118.700 -0.089 0.000 2.120 410 N HA -0.088 4.652 4.740 -0.000 0.000 0.188 410 N C -0.793 174.679 175.510 -0.063 0.000 1.024 410 N CA 1.625 54.622 53.050 -0.089 0.000 0.852 410 N CB -1.759 36.672 38.487 -0.092 0.000 1.003 410 N HN 0.320 nan 8.380 nan 0.000 0.424 411 P HA 0.021 nan 4.420 nan 0.000 0.219 411 P C 1.007 178.334 177.300 0.045 0.000 1.150 411 P CA 1.197 64.314 63.100 0.029 0.000 0.814 411 P CB 0.013 31.753 31.700 0.068 0.000 0.787 412 A N -0.677 122.153 122.820 0.016 0.000 1.930 412 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 412 A C 2.158 179.740 177.584 -0.004 0.000 1.175 412 A CA 1.339 53.378 52.037 0.004 0.000 0.627 412 A CB -1.597 17.411 19.000 0.014 0.000 0.815 412 A HN 0.109 nan 8.150 nan 0.000 0.443 413 L N -0.852 120.354 121.223 -0.028 0.000 2.056 413 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 413 L C 2.774 179.598 176.870 -0.077 0.000 1.078 413 L CA 1.706 56.519 54.840 -0.046 0.000 0.749 413 L CB -0.783 41.234 42.059 -0.071 0.000 0.901 413 L HN 0.330 nan 8.230 nan 0.000 0.433 414 T N -2.051 112.434 114.554 -0.115 0.000 2.759 414 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 414 T C 1.450 175.954 174.700 -0.327 0.000 1.042 414 T CA 1.182 63.142 62.100 -0.233 0.000 1.140 414 T CB -0.244 68.421 68.868 -0.339 0.000 0.864 414 T HN 0.359 nan 8.240 nan 0.000 0.455 415 H N -0.319 118.711 119.070 -0.067 0.000 2.520 415 H HA 0.346 4.902 4.556 -0.000 0.000 0.284 415 H C 1.652 176.942 175.328 -0.065 0.000 1.037 415 H CA 0.346 56.364 56.048 -0.050 0.000 1.168 415 H CB 0.147 29.882 29.762 -0.045 0.000 1.497 415 H HN 0.494 nan 8.280 nan 0.000 0.547 416 G N 2.356 111.158 108.800 0.004 0.000 2.221 416 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.265 416 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.265 416 G C 0.821 175.788 174.900 0.111 0.000 1.041 416 G CA 0.713 45.836 45.100 0.039 0.000 0.807 416 G HN 0.631 nan 8.290 nan 0.000 0.502 417 I N -4.153 116.430 120.570 0.021 0.000 4.102 417 I HA 0.678 4.848 4.170 -0.000 0.000 0.325 417 I C 1.738 177.815 176.117 -0.066 0.000 1.471 417 I CA 0.315 61.549 61.300 -0.110 0.000 1.133 417 I CB 0.352 37.996 38.000 -0.593 0.000 1.184 417 I HN 0.113 nan 8.210 nan 0.000 0.451 418 A N 1.683 124.548 122.820 0.075 0.000 2.172 418 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 418 A C 1.994 179.639 177.584 0.102 0.000 1.154 418 A CA 1.707 53.784 52.037 0.067 0.000 0.701 418 A CB -1.262 17.774 19.000 0.060 0.000 0.789 418 A HN 0.849 nan 8.150 nan 0.000 0.465 419 H N -2.789 116.315 119.070 0.056 0.000 2.529 419 H HA 0.199 4.755 4.556 -0.000 0.000 0.277 419 H C 1.456 176.842 175.328 0.098 0.000 0.999 419 H CA 0.967 57.056 56.048 0.067 0.000 1.256 419 H CB 0.201 29.999 29.762 0.059 0.000 1.402 419 H HN 0.392 nan 8.280 nan 0.000 0.566 420 E N 0.989 121.011 120.200 -0.297 0.000 2.256 420 E HA 0.134 4.483 4.350 -0.000 0.000 0.198 420 E C 0.826 177.443 176.600 0.029 0.000 0.908 420 E CA 0.896 57.222 56.400 -0.124 0.000 0.915 420 E CB 1.092 30.736 29.700 -0.094 0.000 0.890 420 E HN 0.387 nan 8.360 nan 0.000 0.484 421 V N -4.622 115.323 119.914 0.053 0.000 3.105 421 V HA 0.860 4.980 4.120 -0.000 0.000 0.311 421 V C 0.813 176.966 176.094 0.099 0.000 1.287 421 V CA -0.171 62.192 62.300 0.106 0.000 1.066 421 V CB 1.240 33.159 31.823 0.161 0.000 1.105 421 V HN 0.303 nan 8.190 nan 0.000 0.462 422 G N -0.077 108.798 108.800 0.125 0.000 2.278 422 G HA2 0.088 4.048 3.960 -0.000 0.000 0.210 422 G HA3 0.088 4.048 3.960 -0.000 0.000 0.210 422 G C 0.261 175.264 174.900 0.171 0.000 1.000 422 G CA 0.635 45.809 45.100 0.123 0.000 0.635 422 G HN 2.431 nan 8.290 nan 0.000 0.495 423 S N -1.133 114.691 115.700 0.207 0.000 2.636 423 S HA 0.667 5.137 4.470 -0.000 0.000 0.268 423 S C -0.777 173.986 174.600 0.272 0.000 1.159 423 S CA -0.695 57.676 58.200 0.285 0.000 0.815 423 S CB 1.214 64.667 63.200 0.421 0.000 1.130 423 S HN 0.757 nan 8.310 nan 0.000 0.471 424 I N 1.545 122.322 120.570 0.345 0.000 2.268 424 I HA 0.392 4.562 4.170 -0.000 0.000 0.290 424 I C -0.123 176.187 176.117 0.321 0.000 1.125 424 I CA 0.130 61.627 61.300 0.328 0.000 1.236 424 I CB -0.154 38.064 38.000 0.363 0.000 1.469 424 I HN 0.572 nan 8.210 nan 0.000 0.512 425 E N 3.814 124.118 120.200 0.174 0.000 2.367 425 E HA 0.363 4.713 4.350 -0.000 0.000 0.273 425 E C -0.671 175.945 176.600 0.026 0.000 0.903 425 E CA -1.026 55.399 56.400 0.042 0.000 0.764 425 E CB 3.220 32.942 29.700 0.038 0.000 1.252 425 E HN 0.291 nan 8.360 nan 0.000 0.446 426 V N 0.041 119.932 119.914 -0.039 0.000 2.788 426 V HA 0.382 4.502 4.120 -0.000 0.000 0.307 426 V C 1.035 177.125 176.094 -0.006 0.000 1.069 426 V CA 1.030 63.306 62.300 -0.039 0.000 1.173 426 V CB 0.144 31.895 31.823 -0.121 0.000 0.925 426 V HN 1.017 nan 8.190 nan 0.000 0.492 427 G N 2.901 111.713 108.800 0.020 0.000 2.225 427 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 427 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 427 G C 0.315 175.251 174.900 0.060 0.000 0.988 427 G CA 0.449 45.574 45.100 0.040 0.000 0.625 427 G HN 0.911 nan 8.290 nan 0.000 0.527 428 K N -0.021 120.420 120.400 0.069 0.000 2.098 428 K HA 0.575 4.895 4.320 -0.000 0.000 0.257 428 K C 0.346 176.995 176.600 0.083 0.000 0.999 428 K CA -0.956 55.378 56.287 0.078 0.000 0.924 428 K CB 1.475 34.032 32.500 0.095 0.000 1.028 428 K HN 0.151 nan 8.250 nan 0.000 0.466 429 L N 1.892 123.161 121.223 0.076 0.000 2.525 429 L HA -0.042 4.298 4.340 -0.000 0.000 0.278 429 L C -0.020 176.905 176.870 0.092 0.000 1.218 429 L CA 0.769 55.653 54.840 0.074 0.000 0.878 429 L CB 0.355 42.452 42.059 0.064 0.000 1.127 429 L HN 0.747 nan 8.230 nan 0.000 0.492 430 A N 4.074 126.947 122.820 0.089 0.000 3.048 430 A HA 0.177 4.497 4.320 -0.000 0.000 0.264 430 A C -0.348 177.290 177.584 0.091 0.000 1.796 430 A CA -0.413 51.682 52.037 0.096 0.000 1.445 430 A CB -1.163 17.892 19.000 0.092 0.000 1.074 430 A HN 0.702 nan 8.150 nan 0.000 0.621 431 D N 1.434 121.895 120.400 0.101 0.000 2.428 431 D HA 0.529 5.169 4.640 -0.000 0.000 0.221 431 D C -0.322 176.044 176.300 0.109 0.000 1.123 431 D CA 0.472 54.531 54.000 0.098 0.000 0.869 431 D CB 0.920 41.787 40.800 0.112 0.000 1.032 431 D HN 0.399 nan 8.370 nan 0.000 0.506 432 L N 1.166 122.440 121.223 0.085 0.000 2.388 432 L HA 0.636 4.976 4.340 -0.000 0.000 0.264 432 L C -0.556 176.331 176.870 0.027 0.000 0.998 432 L CA -1.207 53.686 54.840 0.089 0.000 0.817 432 L CB 2.416 44.530 42.059 0.092 0.000 1.338 432 L HN -0.094 nan 8.230 nan 0.000 0.414 433 V N 2.309 122.233 119.914 0.017 0.000 2.531 433 V HA 0.441 4.561 4.120 -0.000 0.000 0.301 433 V C -0.289 175.654 176.094 -0.253 0.000 1.034 433 V CA -0.684 61.492 62.300 -0.206 0.000 0.865 433 V CB 2.228 33.872 31.823 -0.298 0.000 0.995 433 V HN 0.420 nan 8.190 nan 0.000 0.424 434 V N 4.116 123.835 119.914 -0.326 0.000 2.394 434 V HA 0.524 4.644 4.120 -0.000 0.000 0.282 434 V C -0.854 175.095 176.094 -0.241 0.000 1.031 434 V CA -0.486 61.729 62.300 -0.142 0.000 0.881 434 V CB 1.305 33.100 31.823 -0.046 0.000 0.982 434 V HN 0.912 nan 8.190 nan 0.000 0.451 435 W N 1.923 123.292 121.300 0.114 0.000 2.844 435 W HA 0.657 5.317 4.660 -0.000 0.000 0.340 435 W C 0.234 176.842 176.519 0.149 0.000 1.093 435 W CA -0.705 56.717 57.345 0.129 0.000 1.212 435 W CB 1.727 31.293 29.460 0.177 0.000 1.422 435 W HN 0.457 nan 8.180 nan 0.000 0.515 436 S N 2.000 117.952 115.700 0.420 0.000 2.525 436 S HA 0.333 4.803 4.470 -0.000 0.000 0.278 436 S C -1.569 173.237 174.600 0.343 0.000 1.234 436 S CA -1.329 57.065 58.200 0.322 0.000 1.058 436 S CB 1.153 64.547 63.200 0.323 0.000 0.983 436 S HN 0.213 nan 8.310 nan 0.000 0.495 437 P HA -0.119 nan 4.420 nan 0.000 0.217 437 P C 1.181 178.510 177.300 0.048 0.000 1.151 437 P CA 1.724 64.875 63.100 0.084 0.000 0.849 437 P CB 0.025 31.723 31.700 -0.003 0.000 0.787 438 A N -2.354 120.508 122.820 0.070 0.000 2.067 438 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 438 A C 1.347 178.795 177.584 -0.227 0.000 1.158 438 A CA 1.200 53.178 52.037 -0.099 0.000 0.661 438 A CB -1.301 17.605 19.000 -0.157 0.000 0.801 438 A HN 0.193 nan 8.150 nan 0.000 0.452 439 F N -2.487 117.545 119.950 0.137 0.000 2.683 439 F HA 0.321 4.848 4.527 -0.000 0.000 0.306 439 F C 0.319 176.122 175.800 0.005 0.000 1.102 439 F CA -1.110 56.933 58.000 0.072 0.000 1.244 439 F CB 0.091 39.185 39.000 0.156 0.000 1.029 439 F HN 0.153 nan 8.300 nan 0.000 0.545 440 F N 1.542 121.461 119.950 -0.052 0.000 2.623 440 F HA 0.309 4.836 4.527 -0.000 0.000 0.386 440 F C 1.380 176.791 175.800 -0.647 0.000 1.068 440 F CA 1.165 58.920 58.000 -0.409 0.000 1.265 440 F CB 0.441 39.117 39.000 -0.540 0.000 1.026 440 F HN 0.322 nan 8.300 nan 0.000 0.568 441 G N 3.311 110.886 108.800 -2.042 0.000 2.212 441 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.266 441 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.266 441 G C 0.570 175.249 174.900 -0.369 0.000 0.978 441 G CA 0.497 44.837 45.100 -1.267 0.000 0.632 441 G HN 0.764 nan 8.290 nan 0.000 0.537 442 V N -0.616 119.202 119.914 -0.160 0.000 2.721 442 V HA 0.374 4.494 4.120 -0.000 0.000 0.236 442 V C 1.015 177.227 176.094 0.198 0.000 1.116 442 V CA 1.829 64.120 62.300 -0.014 0.000 1.148 442 V CB 0.324 31.896 31.823 -0.419 0.000 0.886 442 V HN 0.276 nan 8.190 nan 0.000 0.490 443 K N 1.075 121.659 120.400 0.306 0.000 2.613 443 K HA 0.446 4.766 4.320 -0.000 0.000 0.248 443 K C -2.915 173.866 176.600 0.301 0.000 0.959 443 K CA -1.635 54.823 56.287 0.285 0.000 0.855 443 K CB 2.534 35.178 32.500 0.240 0.000 1.143 443 K HN 0.150 nan 8.250 nan 0.000 0.437 444 P HA 0.049 nan 4.420 nan 0.000 0.272 444 P C -0.072 177.194 177.300 -0.057 0.000 1.223 444 P CA -0.092 62.833 63.100 -0.293 0.000 0.784 444 P CB 1.085 32.402 31.700 -0.638 0.000 0.923 445 A N 1.592 124.333 122.820 -0.132 0.000 1.943 445 A HA 0.160 4.480 4.320 -0.000 0.000 0.213 445 A C 0.470 177.991 177.584 -0.106 0.000 1.181 445 A CA 1.436 53.414 52.037 -0.099 0.000 0.653 445 A CB -0.355 18.616 19.000 -0.048 0.000 0.833 445 A HN 0.557 nan 8.150 nan 0.000 0.451 446 T N -0.860 113.611 114.554 -0.138 0.000 3.097 446 T HA 0.493 4.843 4.350 -0.000 0.000 0.332 446 T C -1.381 173.235 174.700 -0.140 0.000 1.269 446 T CA -0.400 61.639 62.100 -0.100 0.000 1.076 446 T CB 1.938 70.765 68.868 -0.068 0.000 1.209 446 T HN 0.018 nan 8.240 nan 0.000 0.474 447 V N 3.844 123.708 119.914 -0.084 0.000 2.376 447 V HA 0.508 4.628 4.120 -0.000 0.000 0.287 447 V C -0.366 175.711 176.094 -0.027 0.000 1.015 447 V CA -0.722 61.528 62.300 -0.083 0.000 0.834 447 V CB 1.137 32.916 31.823 -0.074 0.000 1.001 447 V HN 0.778 nan 8.190 nan 0.000 0.428 448 I N 5.041 125.604 120.570 -0.013 0.000 2.336 448 I HA 0.458 4.628 4.170 -0.000 0.000 0.292 448 I C 0.199 176.338 176.117 0.036 0.000 0.991 448 I CA -0.414 60.896 61.300 0.017 0.000 1.227 448 I CB 1.226 39.241 38.000 0.025 0.000 1.366 448 I HN 0.373 nan 8.210 nan 0.000 0.466 449 K N 4.513 124.938 120.400 0.042 0.000 2.394 449 K HA 0.332 4.652 4.320 -0.000 0.000 0.260 449 K C 0.427 177.063 176.600 0.059 0.000 0.967 449 K CA -0.333 55.986 56.287 0.052 0.000 0.855 449 K CB 1.791 34.320 32.500 0.049 0.000 1.101 449 K HN 0.917 nan 8.250 nan 0.000 0.433 450 G N 2.059 110.897 108.800 0.064 0.000 2.321 450 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.287 450 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.287 450 G C 0.746 175.693 174.900 0.078 0.000 1.018 450 G CA 1.032 46.173 45.100 0.069 0.000 0.855 450 G HN 1.065 nan 8.290 nan 0.000 0.507 451 G N -2.090 106.750 108.800 0.066 0.000 2.194 451 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.236 451 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.236 451 G C 0.287 175.211 174.900 0.040 0.000 0.987 451 G CA 0.755 45.888 45.100 0.055 0.000 0.635 451 G HN 1.053 nan 8.290 nan 0.000 0.520 452 M N 0.647 120.275 119.600 0.046 0.000 2.465 452 M HA 0.545 5.025 4.480 -0.000 0.000 0.316 452 M C 0.285 176.612 176.300 0.045 0.000 1.121 452 M CA -0.865 54.461 55.300 0.042 0.000 0.934 452 M CB 2.182 34.814 32.600 0.052 0.000 1.692 452 M HN 0.058 nan 8.290 nan 0.000 0.444 453 I N 1.744 122.341 120.570 0.046 0.000 2.618 453 I HA 0.017 4.187 4.170 -0.000 0.000 0.284 453 I C 0.935 177.077 176.117 0.041 0.000 1.146 453 I CA 0.181 61.502 61.300 0.035 0.000 1.425 453 I CB 1.049 39.068 38.000 0.031 0.000 1.383 453 I HN 0.899 nan 8.210 nan 0.000 0.562 454 A N 7.040 129.874 122.820 0.023 0.000 2.085 454 A HA 0.425 4.745 4.320 -0.000 0.000 0.208 454 A C 0.558 178.144 177.584 0.004 0.000 1.191 454 A CA 0.478 52.526 52.037 0.018 0.000 0.799 454 A CB 0.442 19.455 19.000 0.023 0.000 0.877 454 A HN 0.651 nan 8.150 nan 0.000 0.473 455 I N -2.169 118.408 120.570 0.012 0.000 2.842 455 I HA 0.607 4.777 4.170 -0.000 0.000 0.297 455 I C -1.457 174.695 176.117 0.059 0.000 1.380 455 I CA -0.347 60.975 61.300 0.037 0.000 1.018 455 I CB 2.151 40.189 38.000 0.064 0.000 1.311 455 I HN 0.287 nan 8.210 nan 0.000 0.439 456 A N 5.520 128.375 122.820 0.059 0.000 2.586 456 A HA 0.808 5.128 4.320 -0.000 0.000 0.291 456 A C -3.126 174.300 177.584 -0.262 0.000 1.062 456 A CA -1.164 50.853 52.037 -0.033 0.000 0.666 456 A CB 1.496 20.448 19.000 -0.080 0.000 1.281 456 A HN 0.309 nan 8.150 nan 0.000 0.421 457 P HA 0.501 nan 4.420 nan 0.000 0.271 457 P C -0.746 176.315 177.300 -0.399 0.000 1.216 457 P CA 0.101 62.748 63.100 -0.755 0.000 0.771 457 P CB 0.562 31.825 31.700 -0.729 0.000 0.864 458 M N 3.066 122.443 119.600 -0.371 0.000 2.326 458 M HA 0.609 5.089 4.480 -0.000 0.000 0.292 458 M C -0.227 175.903 176.300 -0.283 0.000 1.081 458 M CA -0.456 54.676 55.300 -0.280 0.000 0.919 458 M CB 1.563 34.011 32.600 -0.253 0.000 1.634 458 M HN 0.409 nan 8.290 nan 0.000 0.451 459 G N 1.275 109.962 108.800 -0.189 0.000 2.510 459 G HA2 0.274 4.234 3.960 -0.000 0.000 0.280 459 G HA3 0.274 4.234 3.960 -0.000 0.000 0.280 459 G C -0.898 173.933 174.900 -0.114 0.000 1.386 459 G CA -0.588 44.429 45.100 -0.139 0.000 1.047 459 G HN 0.741 nan 8.290 nan 0.000 0.527 460 D N -0.129 120.232 120.400 -0.065 0.000 2.793 460 D HA -0.110 4.530 4.640 -0.000 0.000 0.230 460 D C 1.740 178.013 176.300 -0.046 0.000 1.139 460 D CA -0.220 53.756 54.000 -0.040 0.000 0.838 460 D CB 0.264 41.051 40.800 -0.022 0.000 1.149 460 D HN 0.047 nan 8.370 nan 0.000 0.526 461 I N 3.678 124.221 120.570 -0.044 0.000 2.361 461 I HA -0.218 3.952 4.170 -0.000 0.000 0.251 461 I C 1.858 177.961 176.117 -0.023 0.000 1.133 461 I CA 1.005 62.281 61.300 -0.041 0.000 1.413 461 I CB -1.134 36.844 38.000 -0.038 0.000 1.073 461 I HN 0.454 nan 8.210 nan 0.000 0.424 462 N N 0.907 119.598 118.700 -0.016 0.000 2.336 462 N HA 0.132 4.872 4.740 -0.000 0.000 0.189 462 N C 0.620 176.124 175.510 -0.010 0.000 1.113 462 N CA 0.130 53.175 53.050 -0.009 0.000 0.858 462 N CB 0.249 38.733 38.487 -0.005 0.000 0.970 462 N HN 0.275 nan 8.380 nan 0.000 0.471 463 A N -0.528 122.283 122.820 -0.015 0.000 2.327 463 A HA 0.282 4.602 4.320 -0.000 0.000 0.255 463 A C 1.340 178.917 177.584 -0.012 0.000 1.099 463 A CA 0.148 52.177 52.037 -0.014 0.000 0.801 463 A CB 0.079 19.067 19.000 -0.020 0.000 1.062 463 A HN 0.455 nan 8.150 nan 0.000 0.496 464 S N -0.625 115.069 115.700 -0.011 0.000 2.522 464 S HA 0.223 4.693 4.470 -0.000 0.000 0.227 464 S C 0.460 175.055 174.600 -0.009 0.000 0.986 464 S CA 0.839 59.034 58.200 -0.008 0.000 0.929 464 S CB -0.969 62.226 63.200 -0.007 0.000 0.769 464 S HN 0.743 nan 8.310 nan 0.000 0.529 465 I N -2.890 117.671 120.570 -0.014 0.000 3.102 465 I HA 0.434 4.604 4.170 -0.000 0.000 0.310 465 I C -2.573 173.528 176.117 -0.026 0.000 1.246 465 I CA -2.662 58.629 61.300 -0.016 0.000 0.979 465 I CB 1.754 39.745 38.000 -0.016 0.000 1.267 465 I HN -0.365 nan 8.210 nan 0.000 0.451 466 P HA -0.001 nan 4.420 nan 0.000 0.249 466 P C 0.961 178.220 177.300 -0.068 0.000 1.229 466 P CA 0.791 63.861 63.100 -0.051 0.000 0.788 466 P CB 0.101 31.772 31.700 -0.049 0.000 1.072 467 T N -4.332 110.189 114.554 -0.055 0.000 3.051 467 T HA 0.201 4.551 4.350 -0.000 0.000 0.255 467 T C -1.551 173.117 174.700 -0.053 0.000 1.085 467 T CA -0.421 61.642 62.100 -0.060 0.000 1.109 467 T CB -1.908 66.931 68.868 -0.048 0.000 0.921 467 T HN 0.125 nan 8.240 nan 0.000 0.488 468 P HA 0.178 nan 4.420 nan 0.000 0.269 468 P C 0.128 177.409 177.300 -0.031 0.000 1.209 468 P CA -0.150 62.931 63.100 -0.031 0.000 0.776 468 P CB 0.366 32.052 31.700 -0.023 0.000 0.876 469 Q N 2.766 122.554 119.800 -0.019 0.000 2.421 469 Q HA 0.178 4.518 4.340 -0.000 0.000 0.255 469 Q C -1.893 174.113 176.000 0.010 0.000 1.013 469 Q CA -1.096 54.704 55.803 -0.005 0.000 0.895 469 Q CB -0.606 28.132 28.738 0.001 0.000 1.271 469 Q HN 0.395 nan 8.270 nan 0.000 0.460 470 P HA 0.222 nan 4.420 nan 0.000 0.290 470 P C -0.848 176.493 177.300 0.068 0.000 1.276 470 P CA -0.390 62.756 63.100 0.076 0.000 0.808 470 P CB 0.969 32.749 31.700 0.135 0.000 0.966 471 V N 5.181 125.109 119.914 0.022 0.000 2.350 471 V HA 0.354 4.474 4.120 -0.000 0.000 0.276 471 V C 0.182 176.269 176.094 -0.012 0.000 1.028 471 V CA -0.117 62.136 62.300 -0.078 0.000 0.860 471 V CB 0.095 31.840 31.823 -0.130 0.000 0.990 471 V HN 0.861 nan 8.190 nan 0.000 0.453 472 H N 2.075 121.064 119.070 -0.135 0.000 3.016 472 H HA 0.632 5.188 4.556 -0.000 0.000 0.362 472 H C -1.527 173.709 175.328 -0.154 0.000 1.233 472 H CA -1.135 54.857 56.048 -0.094 0.000 1.124 472 H CB 0.772 30.547 29.762 0.022 0.000 1.850 472 H HN 0.375 nan 8.280 nan 0.000 0.549 473 Y N 1.312 121.659 120.300 0.080 0.000 2.544 473 Y HA 0.246 4.796 4.550 -0.000 0.000 0.330 473 Y C 0.615 176.518 175.900 0.004 0.000 1.136 473 Y CA 0.295 58.397 58.100 0.003 0.000 1.417 473 Y CB 0.473 38.945 38.460 0.020 0.000 1.229 473 Y HN 0.373 nan 8.280 nan 0.000 0.532 474 R N 4.351 124.861 120.500 0.017 0.000 2.686 474 R HA 0.424 4.764 4.340 -0.000 0.000 0.283 474 R C -2.951 173.331 176.300 -0.031 0.000 0.978 474 R CA -2.350 53.736 56.100 -0.023 0.000 0.897 474 R CB 1.565 31.781 30.300 -0.140 0.000 1.192 474 R HN 0.320 nan 8.270 nan 0.000 0.457 475 P HA 0.038 nan 4.420 nan 0.000 0.268 475 P C -0.420 176.793 177.300 -0.146 0.000 1.204 475 P CA 0.221 63.284 63.100 -0.062 0.000 0.768 475 P CB 0.615 32.280 31.700 -0.057 0.000 0.842 476 M N 1.853 121.369 119.600 -0.139 0.000 2.799 476 M HA 0.340 4.820 4.480 -0.000 0.000 0.274 476 M C 1.399 177.556 176.300 -0.239 0.000 1.137 476 M CA -0.721 54.437 55.300 -0.236 0.000 0.897 476 M CB -0.497 32.047 32.600 -0.092 0.000 1.567 476 M HN 0.235 nan 8.290 nan 0.000 0.536 477 F N 0.533 120.464 119.950 -0.030 0.000 2.250 477 F HA -0.074 4.453 4.527 -0.000 0.000 0.301 477 F C 2.216 177.995 175.800 -0.035 0.000 1.077 477 F CA 1.391 59.370 58.000 -0.035 0.000 1.348 477 F CB -0.846 38.131 39.000 -0.039 0.000 1.040 477 F HN 0.742 nan 8.300 nan 0.000 0.509 478 G N -0.684 108.190 108.800 0.124 0.000 2.598 478 G HA2 0.050 4.010 3.960 -0.000 0.000 0.215 478 G HA3 0.050 4.010 3.960 -0.000 0.000 0.215 478 G C 1.458 176.375 174.900 0.029 0.000 1.131 478 G CA 0.574 45.716 45.100 0.070 0.000 0.785 478 G HN 0.415 nan 8.290 nan 0.000 0.539 479 A N -0.224 122.598 122.820 0.004 0.000 2.430 479 A HA 0.609 4.929 4.320 -0.000 0.000 0.243 479 A C 0.505 178.063 177.584 -0.043 0.000 1.254 479 A CA -0.320 51.706 52.037 -0.018 0.000 0.914 479 A CB 0.128 19.115 19.000 -0.021 0.000 0.998 479 A HN 0.244 nan 8.150 nan 0.000 0.515 480 L N -0.133 121.067 121.223 -0.038 0.000 2.282 480 L HA 0.490 4.830 4.340 -0.000 0.000 0.288 480 L C 1.594 178.401 176.870 -0.106 0.000 1.033 480 L CA -0.185 54.623 54.840 -0.052 0.000 0.807 480 L CB 1.230 43.288 42.059 -0.002 0.000 1.209 480 L HN 0.532 nan 8.230 nan 0.000 0.423 481 G N 2.455 111.165 108.800 -0.150 0.000 2.667 481 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.379 481 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.379 481 G C 1.117 175.724 174.900 -0.487 0.000 1.236 481 G CA 0.976 45.924 45.100 -0.254 0.000 0.946 481 G HN 0.625 nan 8.290 nan 0.000 0.573 482 S N 0.689 116.237 115.700 -0.253 0.000 2.419 482 S HA 0.091 4.561 4.470 -0.000 0.000 0.233 482 S C 2.707 177.275 174.600 -0.053 0.000 1.016 482 S CA 1.784 59.908 58.200 -0.126 0.000 0.974 482 S CB -0.454 62.760 63.200 0.023 0.000 0.786 482 S HN 1.190 nan 8.310 nan 0.000 0.492 483 A N 1.783 124.569 122.820 -0.057 0.000 1.930 483 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 483 A C 2.074 179.671 177.584 0.021 0.000 1.175 483 A CA 1.132 53.167 52.037 -0.002 0.000 0.627 483 A CB -0.449 18.559 19.000 0.013 0.000 0.815 483 A HN 0.409 nan 8.150 nan 0.000 0.443 484 R N -0.669 119.791 120.500 -0.066 0.000 2.066 484 R HA -0.171 4.169 4.340 -0.000 0.000 0.232 484 R C 1.909 178.229 176.300 0.033 0.000 1.131 484 R CA 1.900 57.973 56.100 -0.045 0.000 0.955 484 R CB -0.563 29.667 30.300 -0.116 0.000 0.851 484 R HN 0.777 nan 8.270 nan 0.000 0.432 485 H N -2.007 117.087 119.070 0.040 0.000 2.387 485 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 485 H C 1.927 177.268 175.328 0.022 0.000 1.099 485 H CA 1.626 57.684 56.048 0.017 0.000 1.315 485 H CB -0.103 29.669 29.762 0.016 0.000 1.380 485 H HN 0.448 nan 8.280 nan 0.000 0.513 486 H N -0.822 118.307 119.070 0.098 0.000 2.502 486 H HA 0.015 4.571 4.556 -0.000 0.000 0.283 486 H C 1.246 176.589 175.328 0.024 0.000 1.015 486 H CA 0.972 57.048 56.048 0.047 0.000 1.298 486 H CB 0.253 30.034 29.762 0.031 0.000 1.411 486 H HN 0.302 nan 8.280 nan 0.000 0.556 487 C N 1.395 120.780 119.300 0.141 0.000 2.906 487 C HA 0.273 4.733 4.460 -0.000 0.000 0.274 487 C C 0.621 175.633 174.990 0.036 0.000 1.257 487 C CA -0.347 58.727 59.018 0.092 0.000 1.695 487 C CB -1.190 26.608 27.740 0.097 0.000 1.958 487 C HN 0.512 nan 8.230 nan 0.000 0.619 488 R N 0.038 120.544 120.500 0.010 0.000 2.888 488 R HA 0.833 5.173 4.340 -0.000 0.000 0.266 488 R C -1.557 174.682 176.300 -0.102 0.000 1.020 488 R CA -0.669 55.417 56.100 -0.022 0.000 0.963 488 R CB 1.005 31.311 30.300 0.009 0.000 1.197 488 R HN 0.086 nan 8.270 nan 0.000 0.481 489 L N 0.734 121.843 121.223 -0.191 0.000 2.362 489 L HA 0.485 4.825 4.340 -0.000 0.000 0.271 489 L C -0.589 176.022 176.870 -0.432 0.000 1.002 489 L CA -0.910 53.703 54.840 -0.378 0.000 0.818 489 L CB 2.740 44.401 42.059 -0.664 0.000 1.298 489 L HN 0.735 nan 8.230 nan 0.000 0.420 490 T N 2.212 116.547 114.554 -0.366 0.000 2.770 490 T HA 0.509 4.859 4.350 -0.000 0.000 0.283 490 T C -0.513 174.035 174.700 -0.252 0.000 0.988 490 T CA -0.262 61.700 62.100 -0.231 0.000 0.957 490 T CB 0.288 69.085 68.868 -0.119 0.000 0.930 490 T HN 0.093 nan 8.240 nan 0.000 0.443 491 F N 3.420 123.389 119.950 0.032 0.000 2.410 491 F HA 0.527 5.054 4.527 -0.000 0.000 0.348 491 F C 0.467 176.295 175.800 0.045 0.000 1.106 491 F CA -0.758 57.270 58.000 0.048 0.000 1.163 491 F CB 0.642 39.682 39.000 0.068 0.000 1.129 491 F HN 0.183 nan 8.300 nan 0.000 0.516 492 L N 1.693 123.052 121.223 0.226 0.000 2.301 492 L HA 0.526 4.866 4.340 -0.000 0.000 0.264 492 L C -0.132 176.819 176.870 0.135 0.000 1.016 492 L CA -1.084 53.838 54.840 0.137 0.000 0.821 492 L CB 2.347 44.452 42.059 0.076 0.000 1.346 492 L HN 0.639 nan 8.230 nan 0.000 0.429 493 S N -0.638 115.118 115.700 0.093 0.000 2.617 493 S HA 0.185 4.655 4.470 -0.000 0.000 0.269 493 S C 0.509 175.144 174.600 0.060 0.000 1.292 493 S CA -0.616 57.629 58.200 0.075 0.000 1.010 493 S CB 1.414 64.647 63.200 0.054 0.000 0.944 493 S HN 0.673 nan 8.310 nan 0.000 0.536 494 Q N 0.886 120.714 119.800 0.047 0.000 2.135 494 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 494 Q C 2.459 178.474 176.000 0.025 0.000 0.981 494 Q CA 1.639 57.462 55.803 0.034 0.000 0.856 494 Q CB -0.624 28.126 28.738 0.020 0.000 0.902 494 Q HN 0.920 nan 8.270 nan 0.000 0.425 495 A N 1.058 123.891 122.820 0.022 0.000 1.877 495 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 495 A C 2.305 179.898 177.584 0.015 0.000 1.186 495 A CA 1.632 53.678 52.037 0.015 0.000 0.620 495 A CB -0.878 18.130 19.000 0.013 0.000 0.822 495 A HN 0.407 nan 8.150 nan 0.000 0.443 496 A N -0.195 122.637 122.820 0.021 0.000 1.902 496 A HA 0.175 4.495 4.320 -0.000 0.000 0.217 496 A C 2.511 180.103 177.584 0.013 0.000 1.181 496 A CA 2.087 54.134 52.037 0.016 0.000 0.623 496 A CB -1.030 17.983 19.000 0.022 0.000 0.818 496 A HN 1.058 nan 8.150 nan 0.000 0.443 497 A N -0.059 122.773 122.820 0.021 0.000 1.877 497 A HA 0.129 4.449 4.320 -0.000 0.000 0.216 497 A C 2.510 180.100 177.584 0.010 0.000 1.186 497 A CA 2.198 54.245 52.037 0.017 0.000 0.620 497 A CB -1.048 17.970 19.000 0.029 0.000 0.822 497 A HN 1.088 nan 8.150 nan 0.000 0.443 498 A N -0.092 122.734 122.820 0.011 0.000 1.933 498 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 498 A C 1.776 179.361 177.584 0.003 0.000 1.175 498 A CA 1.718 53.759 52.037 0.006 0.000 0.628 498 A CB -0.560 18.443 19.000 0.007 0.000 0.814 498 A HN 0.505 nan 8.150 nan 0.000 0.444 499 N N -0.529 118.173 118.700 0.003 0.000 2.550 499 N HA 0.076 4.816 4.740 -0.000 0.000 0.186 499 N C 1.079 176.586 175.510 -0.004 0.000 1.110 499 N CA 1.079 54.128 53.050 -0.000 0.000 0.912 499 N CB -0.072 38.415 38.487 0.000 0.000 0.968 499 N HN 0.662 nan 8.380 nan 0.000 0.448 500 G N -0.141 108.656 108.800 -0.005 0.000 2.198 500 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.257 500 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.257 500 G C 0.975 175.866 174.900 -0.016 0.000 1.042 500 G CA 0.394 45.488 45.100 -0.010 0.000 0.791 500 G HN 0.210 nan 8.290 nan 0.000 0.502 501 V N 0.020 119.926 119.914 -0.015 0.000 2.407 501 V HA -0.119 4.001 4.120 -0.000 0.000 0.248 501 V C 3.183 179.257 176.094 -0.034 0.000 1.055 501 V CA 3.066 65.353 62.300 -0.022 0.000 1.049 501 V CB -0.810 31.003 31.823 -0.017 0.000 0.662 501 V HN 0.990 nan 8.190 nan 0.000 0.455 502 A N -0.108 122.692 122.820 -0.034 0.000 1.902 502 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 502 A C 2.097 179.651 177.584 -0.050 0.000 1.181 502 A CA 1.982 53.991 52.037 -0.047 0.000 0.623 502 A CB -0.414 18.558 19.000 -0.045 0.000 0.818 502 A HN 0.561 nan 8.150 nan 0.000 0.443 503 E N -0.658 119.519 120.200 -0.038 0.000 2.107 503 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 503 E C 2.132 178.710 176.600 -0.037 0.000 0.982 503 E CA 1.116 57.494 56.400 -0.036 0.000 0.809 503 E CB -0.247 29.438 29.700 -0.025 0.000 0.756 503 E HN 0.635 nan 8.360 nan 0.000 0.459 504 R N 0.334 120.814 120.500 -0.035 0.000 2.066 504 R HA 0.004 4.344 4.340 -0.000 0.000 0.232 504 R C 1.767 178.039 176.300 -0.047 0.000 1.131 504 R CA 0.994 57.073 56.100 -0.035 0.000 0.955 504 R CB -0.132 30.150 30.300 -0.029 0.000 0.851 504 R HN 0.191 nan 8.270 nan 0.000 0.432 505 L N 0.666 121.854 121.223 -0.059 0.000 2.554 505 L HA 0.039 4.379 4.340 -0.000 0.000 0.226 505 L C 0.508 177.330 176.870 -0.081 0.000 1.137 505 L CA 0.175 54.969 54.840 -0.078 0.000 0.863 505 L CB -0.374 41.630 42.059 -0.092 0.000 0.985 505 L HN 0.439 nan 8.230 nan 0.000 0.451 506 N N 1.337 119.994 118.700 -0.071 0.000 2.727 506 N HA -0.174 4.566 4.740 -0.000 0.000 0.251 506 N C -0.532 174.917 175.510 -0.102 0.000 1.040 506 N CA -0.160 52.846 53.050 -0.074 0.000 0.712 506 N CB -0.383 38.066 38.487 -0.063 0.000 0.912 506 N HN 0.036 nan 8.380 nan 0.000 0.545 507 L N 1.588 122.745 121.223 -0.108 0.000 2.410 507 L HA 0.099 4.439 4.340 -0.000 0.000 0.273 507 L C 1.809 178.573 176.870 -0.177 0.000 1.152 507 L CA 0.686 55.440 54.840 -0.143 0.000 0.855 507 L CB 0.985 42.972 42.059 -0.120 0.000 1.129 507 L HN 0.195 nan 8.230 nan 0.000 0.463 508 R N 0.375 120.700 120.500 -0.291 0.000 2.223 508 R HA 0.162 4.502 4.340 -0.000 0.000 0.198 508 R C 0.608 176.729 176.300 -0.298 0.000 0.984 508 R CA 0.176 56.053 56.100 -0.372 0.000 1.018 508 R CB 0.026 29.890 30.300 -0.727 0.000 0.945 508 R HN 0.625 nan 8.270 nan 0.000 0.479 509 S N 0.297 115.841 115.700 -0.260 0.000 2.624 509 S HA 0.529 4.998 4.470 -0.000 0.000 0.263 509 S C 0.142 174.673 174.600 -0.115 0.000 1.287 509 S CA -0.530 57.602 58.200 -0.113 0.000 0.990 509 S CB 1.140 64.292 63.200 -0.080 0.000 0.950 509 S HN 0.370 nan 8.310 nan 0.000 0.561 510 A N 1.257 124.004 122.820 -0.122 0.000 2.445 510 A HA 0.467 4.787 4.320 -0.000 0.000 0.242 510 A C -0.181 177.307 177.584 -0.159 0.000 1.075 510 A CA -0.172 51.776 52.037 -0.149 0.000 0.777 510 A CB -0.203 18.688 19.000 -0.182 0.000 1.013 510 A HN 0.578 nan 8.150 nan 0.000 0.493 511 I N 0.782 121.274 120.570 -0.129 0.000 2.441 511 I HA 0.618 4.788 4.170 -0.000 0.000 0.295 511 I C 0.474 176.535 176.117 -0.094 0.000 0.994 511 I CA -0.187 61.044 61.300 -0.115 0.000 1.144 511 I CB 1.156 39.120 38.000 -0.061 0.000 1.314 511 I HN 0.746 nan 8.210 nan 0.000 0.445 512 A N 5.929 128.693 122.820 -0.094 0.000 2.435 512 A HA 0.813 5.133 4.320 -0.000 0.000 0.304 512 A C -1.083 176.643 177.584 0.237 0.000 1.064 512 A CA -0.516 51.555 52.037 0.056 0.000 0.727 512 A CB 1.757 20.739 19.000 -0.030 0.000 1.284 512 A HN 0.368 nan 8.150 nan 0.000 0.415 513 V N 1.911 122.004 119.914 0.298 0.000 2.547 513 V HA 0.559 4.679 4.120 -0.000 0.000 0.299 513 V C 0.377 176.669 176.094 0.329 0.000 1.040 513 V CA -0.542 61.913 62.300 0.258 0.000 0.913 513 V CB 1.560 33.468 31.823 0.141 0.000 0.992 513 V HN 1.066 nan 8.190 nan 0.000 0.449 514 V N 2.559 122.617 119.914 0.240 0.000 2.686 514 V HA 0.799 4.919 4.120 -0.000 0.000 0.295 514 V C -0.379 175.757 176.094 0.069 0.000 1.057 514 V CA -0.483 61.930 62.300 0.188 0.000 1.012 514 V CB 1.013 32.901 31.823 0.109 0.000 1.006 514 V HN 1.071 nan 8.190 nan 0.000 0.477 515 K N 2.088 122.492 120.400 0.006 0.000 2.562 515 K HA 0.710 5.030 4.320 -0.000 0.000 0.267 515 K C 0.107 176.672 176.600 -0.058 0.000 0.938 515 K CA -0.551 55.698 56.287 -0.063 0.000 0.840 515 K CB 1.538 33.949 32.500 -0.148 0.000 1.390 515 K HN 1.939 nan 8.250 nan 0.000 0.428 516 G N 0.842 109.612 108.800 -0.049 0.000 2.149 516 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.235 516 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.235 516 G C 0.545 175.420 174.900 -0.042 0.000 1.018 516 G CA 0.115 45.189 45.100 -0.044 0.000 0.728 516 G HN 0.675 nan 8.290 nan 0.000 0.508 517 C N -0.304 118.970 119.300 -0.043 0.000 2.464 517 C HA 0.134 4.594 4.460 -0.000 0.000 0.278 517 C C 2.604 177.555 174.990 -0.066 0.000 1.375 517 C CA 1.031 60.011 59.018 -0.063 0.000 1.761 517 C CB -0.454 27.251 27.740 -0.059 0.000 1.944 517 C HN 0.586 nan 8.230 nan 0.000 0.509 518 R N 1.375 121.846 120.500 -0.048 0.000 2.200 518 R HA -0.023 4.317 4.340 -0.000 0.000 0.208 518 R C 1.970 178.245 176.300 -0.042 0.000 1.033 518 R CA 1.622 57.696 56.100 -0.044 0.000 1.000 518 R CB -1.341 28.939 30.300 -0.033 0.000 0.906 518 R HN 0.713 nan 8.270 nan 0.000 0.462 519 T N -1.232 113.298 114.554 -0.041 0.000 3.081 519 T HA 0.108 4.458 4.350 -0.000 0.000 0.250 519 T C 1.098 175.773 174.700 -0.041 0.000 1.100 519 T CA -0.209 61.870 62.100 -0.036 0.000 1.038 519 T CB -0.337 68.512 68.868 -0.031 0.000 0.962 519 T HN -0.032 nan 8.240 nan 0.000 0.516 520 V N 1.455 121.338 119.914 -0.052 0.000 2.686 520 V HA 0.571 4.691 4.120 -0.000 0.000 0.295 520 V C -0.321 175.739 176.094 -0.057 0.000 1.055 520 V CA -1.041 61.224 62.300 -0.059 0.000 1.050 520 V CB 0.622 32.397 31.823 -0.080 0.000 0.984 520 V HN 0.690 nan 8.190 nan 0.000 0.482 521 Q N 1.743 121.512 119.800 -0.052 0.000 2.553 521 Q HA 0.532 4.872 4.340 -0.000 0.000 0.293 521 Q C 0.364 176.336 176.000 -0.047 0.000 1.038 521 Q CA -1.105 54.672 55.803 -0.043 0.000 0.777 521 Q CB 1.689 30.410 28.738 -0.029 0.000 1.487 521 Q HN 0.367 nan 8.270 nan 0.000 0.426 522 K N 0.935 121.312 120.400 -0.038 0.000 2.127 522 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 522 K C 1.774 178.355 176.600 -0.033 0.000 1.047 522 K CA 2.479 58.743 56.287 -0.038 0.000 0.927 522 K CB -0.875 31.611 32.500 -0.024 0.000 0.716 522 K HN 0.687 nan 8.250 nan 0.000 0.450 523 A N 0.524 123.329 122.820 -0.025 0.000 2.125 523 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 523 A C 1.327 178.894 177.584 -0.028 0.000 1.156 523 A CA 1.891 53.917 52.037 -0.019 0.000 0.671 523 A CB -0.396 18.596 19.000 -0.013 0.000 0.794 523 A HN 0.409 nan 8.150 nan 0.000 0.459 524 D N -0.629 119.746 120.400 -0.042 0.000 2.348 524 D HA 0.043 4.683 4.640 -0.000 0.000 0.211 524 D C 0.301 176.554 176.300 -0.077 0.000 0.998 524 D CA 0.235 54.203 54.000 -0.055 0.000 0.873 524 D CB -0.085 40.682 40.800 -0.055 0.000 0.925 524 D HN 0.284 nan 8.370 nan 0.000 0.524 525 M N 1.831 121.387 119.600 -0.074 0.000 2.251 525 M HA 0.065 4.545 4.480 -0.000 0.000 0.346 525 M C 0.012 176.251 176.300 -0.103 0.000 1.499 525 M CA -0.234 55.012 55.300 -0.091 0.000 1.128 525 M CB 0.679 33.234 32.600 -0.075 0.000 1.809 525 M HN -0.320 nan 8.290 nan 0.000 0.464 526 V N 6.336 126.146 119.914 -0.173 0.000 2.509 526 V HA -0.097 4.023 4.120 -0.000 0.000 0.297 526 V C 1.169 177.151 176.094 -0.187 0.000 1.014 526 V CA 0.333 62.459 62.300 -0.290 0.000 1.127 526 V CB -0.916 30.624 31.823 -0.470 0.000 0.925 526 V HN 0.896 nan 8.190 nan 0.000 0.480 527 H N 2.716 121.805 119.070 0.030 0.000 3.141 527 H HA -0.164 4.392 4.556 -0.000 0.000 0.260 527 H C 0.565 175.914 175.328 0.035 0.000 1.132 527 H CA 1.316 57.408 56.048 0.075 0.000 1.171 527 H CB -1.281 28.451 29.762 -0.050 0.000 1.274 527 H HN 0.860 nan 8.280 nan 0.000 0.329 528 N N -0.043 118.708 118.700 0.084 0.000 2.673 528 N HA 0.109 4.849 4.740 -0.000 0.000 0.265 528 N C 0.140 175.660 175.510 0.017 0.000 1.709 528 N CA 0.642 53.714 53.050 0.037 0.000 0.792 528 N CB 0.997 39.477 38.487 -0.012 0.000 1.286 528 N HN 0.287 nan 8.380 nan 0.000 0.506 529 S N -0.719 115.003 115.700 0.037 0.000 2.663 529 S HA 0.150 4.620 4.470 -0.000 0.000 0.243 529 S C 0.373 174.986 174.600 0.020 0.000 1.009 529 S CA -0.415 57.794 58.200 0.016 0.000 0.988 529 S CB 0.262 63.471 63.200 0.015 0.000 0.896 529 S HN 0.249 nan 8.310 nan 0.000 0.502 530 L N 2.664 123.906 121.223 0.032 0.000 2.455 530 L HA 0.339 4.679 4.340 -0.000 0.000 0.272 530 L C -0.156 176.724 176.870 0.017 0.000 1.174 530 L CA 0.941 55.798 54.840 0.028 0.000 0.869 530 L CB 0.399 42.480 42.059 0.038 0.000 1.130 530 L HN 0.312 nan 8.230 nan 0.000 0.474 531 Q N 7.008 126.811 119.800 0.004 0.000 2.607 531 Q HA 0.392 4.732 4.340 -0.000 0.000 0.247 531 Q C -2.249 173.741 176.000 -0.015 0.000 1.033 531 Q CA -1.725 54.072 55.803 -0.011 0.000 0.769 531 Q CB 1.082 29.802 28.738 -0.030 0.000 1.169 531 Q HN 0.561 nan 8.270 nan 0.000 0.508 532 P HA 0.059 nan 4.420 nan 0.000 0.277 532 P C -0.585 176.703 177.300 -0.019 0.000 1.240 532 P CA -0.472 62.626 63.100 -0.004 0.000 0.798 532 P CB 0.887 32.595 31.700 0.012 0.000 0.979 533 N N 2.397 121.085 118.700 -0.020 0.000 2.807 533 N HA 0.140 4.880 4.740 -0.000 0.000 0.259 533 N C -0.563 174.939 175.510 -0.013 0.000 1.149 533 N CA -0.243 52.791 53.050 -0.027 0.000 1.042 533 N CB -1.033 37.439 38.487 -0.024 0.000 1.367 533 N HN 0.426 nan 8.380 nan 0.000 0.516 534 I N 2.053 122.619 120.570 -0.006 0.000 2.437 534 I HA 0.486 4.656 4.170 -0.000 0.000 0.298 534 I C -0.382 175.741 176.117 0.011 0.000 0.984 534 I CA -0.317 60.988 61.300 0.008 0.000 1.214 534 I CB 1.253 39.269 38.000 0.027 0.000 1.365 534 I HN 0.478 nan 8.210 nan 0.000 0.469 535 T N 3.774 118.334 114.554 0.010 0.000 2.903 535 T HA 0.675 5.025 4.350 -0.000 0.000 0.299 535 T C -1.008 173.701 174.700 0.014 0.000 1.093 535 T CA -0.711 61.396 62.100 0.010 0.000 1.002 535 T CB 1.791 70.661 68.868 0.003 0.000 1.127 535 T HN 0.294 nan 8.240 nan 0.000 0.488 536 V N 1.865 121.789 119.914 0.017 0.000 2.531 536 V HA 0.428 4.548 4.120 -0.000 0.000 0.301 536 V C -0.387 175.728 176.094 0.036 0.000 1.034 536 V CA -0.897 61.421 62.300 0.031 0.000 0.865 536 V CB 1.755 33.597 31.823 0.030 0.000 0.995 536 V HN 1.074 nan 8.190 nan 0.000 0.424 537 D N 3.325 123.755 120.400 0.050 0.000 2.348 537 D HA 0.261 4.901 4.640 -0.000 0.000 0.253 537 D C 1.064 177.413 176.300 0.082 0.000 1.161 537 D CA 0.382 54.403 54.000 0.036 0.000 0.876 537 D CB 2.194 43.000 40.800 0.010 0.000 1.160 537 D HN 0.654 nan 8.370 nan 0.000 0.459 538 A N 4.209 127.054 122.820 0.042 0.000 1.978 538 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 538 A C 1.920 179.551 177.584 0.078 0.000 1.170 538 A CA 1.585 53.664 52.037 0.070 0.000 0.636 538 A CB -0.122 18.867 19.000 -0.018 0.000 0.810 538 A HN 0.666 nan 8.150 nan 0.000 0.448 539 Q N -1.106 118.667 119.800 -0.046 0.000 2.107 539 Q HA -0.018 4.322 4.340 -0.000 0.000 0.195 539 Q C 2.239 177.989 176.000 -0.416 0.000 0.964 539 Q CA 1.786 57.484 55.803 -0.175 0.000 0.833 539 Q CB -0.324 28.345 28.738 -0.116 0.000 0.910 539 Q HN 0.771 nan 8.270 nan 0.000 0.465 540 T N -3.284 111.105 114.554 -0.276 0.000 3.054 540 T HA -0.028 4.322 4.350 -0.000 0.000 0.259 540 T C -0.084 174.478 174.700 -0.230 0.000 1.092 540 T CA 0.287 62.212 62.100 -0.292 0.000 1.121 540 T CB 0.006 68.800 68.868 -0.123 0.000 0.912 540 T HN 0.265 nan 8.240 nan 0.000 0.489 541 Y N 0.415 120.697 120.300 -0.030 0.000 4.907 541 Y HA -0.175 4.375 4.550 -0.000 0.000 0.246 541 Y C 0.236 176.114 175.900 -0.038 0.000 0.968 541 Y CA -0.305 57.774 58.100 -0.035 0.000 1.961 541 Y CB -2.831 35.605 38.460 -0.040 0.000 1.487 541 Y HN 0.505 nan 8.280 nan 0.000 0.575 542 E N 0.449 120.705 120.200 0.093 0.000 2.384 542 E HA 0.355 4.705 4.350 -0.000 0.000 0.266 542 E C 0.019 176.638 176.600 0.032 0.000 1.012 542 E CA -0.099 56.326 56.400 0.041 0.000 0.901 542 E CB 1.100 30.807 29.700 0.013 0.000 0.967 542 E HN 0.022 nan 8.360 nan 0.000 0.435 543 V N 4.524 124.446 119.914 0.012 0.000 2.439 543 V HA 0.359 4.479 4.120 -0.000 0.000 0.282 543 V C 0.132 176.225 176.094 -0.001 0.000 1.039 543 V CA -0.380 61.922 62.300 0.003 0.000 0.913 543 V CB 1.160 32.974 31.823 -0.016 0.000 0.983 543 V HN 0.609 nan 8.190 nan 0.000 0.460 544 R N 2.923 123.424 120.500 0.002 0.000 2.628 544 R HA 0.754 5.094 4.340 -0.000 0.000 0.288 544 R C -1.714 174.586 176.300 -0.000 0.000 0.980 544 R CA -0.700 55.400 56.100 -0.001 0.000 0.891 544 R CB 2.617 32.916 30.300 -0.000 0.000 1.188 544 R HN 0.497 nan 8.270 nan 0.000 0.450 545 V N 3.212 123.125 119.914 -0.002 0.000 2.378 545 V HA 0.168 4.288 4.120 -0.000 0.000 0.288 545 V C -0.226 175.867 176.094 -0.002 0.000 1.016 545 V CA -0.529 61.770 62.300 -0.001 0.000 0.840 545 V CB 1.527 33.349 31.823 -0.001 0.000 0.994 545 V HN 0.876 nan 8.190 nan 0.000 0.431 546 D N 4.327 124.724 120.400 -0.004 0.000 2.837 546 D HA -0.213 4.427 4.640 -0.000 0.000 0.230 546 D C 1.352 177.649 176.300 -0.004 0.000 1.152 546 D CA 1.746 55.743 54.000 -0.005 0.000 0.736 546 D CB -1.034 39.764 40.800 -0.004 0.000 1.084 546 D HN 1.375 nan 8.370 nan 0.000 0.429 547 G N 0.077 108.874 108.800 -0.004 0.000 2.284 547 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.247 547 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.247 547 G C 0.123 175.022 174.900 -0.002 0.000 1.012 547 G CA 0.694 45.792 45.100 -0.003 0.000 0.618 547 G HN 0.699 nan 8.290 nan 0.000 0.521 548 E N 1.235 121.435 120.200 -0.002 0.000 2.289 548 E HA 0.570 4.920 4.350 -0.000 0.000 0.278 548 E C 0.181 176.781 176.600 -0.001 0.000 1.032 548 E CA -1.020 55.380 56.400 -0.000 0.000 0.854 548 E CB 1.637 31.337 29.700 0.001 0.000 1.046 548 E HN 0.412 nan 8.360 nan 0.000 0.409 549 L N 4.469 125.692 121.223 0.000 0.000 2.455 549 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 549 L C -0.797 176.072 176.870 -0.001 0.000 1.174 549 L CA 0.036 54.876 54.840 -0.000 0.000 0.869 549 L CB 0.454 42.514 42.059 0.001 0.000 1.130 549 L HN 0.583 nan 8.230 nan 0.000 0.474 550 I N 5.103 125.670 120.570 -0.006 0.000 2.378 550 I HA 0.510 4.680 4.170 -0.000 0.000 0.291 550 I C 0.252 176.360 176.117 -0.014 0.000 0.992 550 I CA -0.127 61.166 61.300 -0.011 0.000 1.154 550 I CB 0.829 38.815 38.000 -0.023 0.000 1.315 550 I HN 0.709 nan 8.210 nan 0.000 0.448 551 T N 3.951 118.503 114.554 -0.002 0.000 2.718 551 T HA 0.715 5.065 4.350 -0.000 0.000 0.306 551 T C -1.171 173.552 174.700 0.039 0.000 1.485 551 T CA -0.271 61.833 62.100 0.007 0.000 0.997 551 T CB 1.530 70.409 68.868 0.018 0.000 1.504 551 T HN 0.821 nan 8.240 nan 0.000 0.497 552 S N 0.801 116.552 115.700 0.086 0.000 2.643 552 S HA 0.750 5.220 4.470 -0.000 0.000 0.270 552 S C -1.900 172.828 174.600 0.213 0.000 1.166 552 S CA -0.966 57.310 58.200 0.128 0.000 0.815 552 S CB 1.843 65.122 63.200 0.132 0.000 1.139 552 S HN 0.628 nan 8.310 nan 0.000 0.472 553 E N 1.816 122.097 120.200 0.135 0.000 2.204 553 E HA 0.533 4.883 4.350 -0.000 0.000 0.276 553 E C -2.614 173.915 176.600 -0.118 0.000 0.974 553 E CA -2.255 54.173 56.400 0.048 0.000 0.815 553 E CB 1.480 31.183 29.700 0.005 0.000 1.119 553 E HN 0.510 nan 8.360 nan 0.000 0.393 554 P HA 0.146 nan 4.420 nan 0.000 0.276 554 P C -0.812 176.310 177.300 -0.298 0.000 1.230 554 P CA -0.282 62.378 63.100 -0.733 0.000 0.776 554 P CB 0.848 31.938 31.700 -1.017 0.000 0.888 555 A N 3.346 126.048 122.820 -0.196 0.000 2.388 555 A HA 0.198 4.518 4.320 -0.000 0.000 0.257 555 A C 1.251 178.792 177.584 -0.072 0.000 1.095 555 A CA -0.343 51.648 52.037 -0.078 0.000 0.791 555 A CB 0.041 19.034 19.000 -0.012 0.000 1.029 555 A HN 0.662 nan 8.150 nan 0.000 0.489 556 D N 0.810 121.188 120.400 -0.038 0.000 2.324 556 D HA 0.089 4.729 4.640 -0.000 0.000 0.212 556 D C 0.105 176.402 176.300 -0.005 0.000 0.984 556 D CA 0.587 54.571 54.000 -0.026 0.000 0.885 556 D CB 0.035 40.822 40.800 -0.020 0.000 0.996 556 D HN 0.209 nan 8.370 nan 0.000 0.505 557 V N 0.852 120.771 119.914 0.009 0.000 2.888 557 V HA 0.407 4.527 4.120 -0.000 0.000 0.309 557 V C -0.697 175.414 176.094 0.029 0.000 1.114 557 V CA -0.868 61.443 62.300 0.018 0.000 0.940 557 V CB 2.775 34.609 31.823 0.019 0.000 1.021 557 V HN 0.062 nan 8.190 nan 0.000 0.426 558 L N 4.218 125.453 121.223 0.021 0.000 2.354 558 L HA 0.661 5.001 4.340 -0.000 0.000 0.264 558 L C -2.449 174.399 176.870 -0.036 0.000 1.008 558 L CA -1.765 53.076 54.840 0.003 0.000 0.819 558 L CB 2.830 44.902 42.059 0.022 0.000 1.339 558 L HN 0.456 nan 8.230 nan 0.000 0.420 559 P HA 0.338 nan 4.420 nan 0.000 0.279 559 P C -0.292 177.008 177.300 0.000 0.000 1.282 559 P CA -0.539 62.481 63.100 -0.133 0.000 0.788 559 P CB 0.369 31.847 31.700 -0.369 0.000 1.139 560 M N -2.675 116.978 119.600 0.087 0.000 2.393 560 M HA -0.283 4.197 4.480 -0.000 0.000 0.201 560 M C 0.252 176.716 176.300 0.273 0.000 0.403 560 M CA 0.784 56.126 55.300 0.069 0.000 0.471 560 M CB -2.192 30.376 32.600 -0.054 0.000 1.669 560 M HN 0.484 nan 8.290 nan 0.000 0.864 561 A N -0.236 122.788 122.820 0.340 0.000 2.751 561 A HA 0.304 4.624 4.320 -0.000 0.000 0.201 561 A C 1.078 178.897 177.584 0.391 0.000 1.619 561 A CA 0.229 52.473 52.037 0.346 0.000 1.607 561 A CB 0.026 19.124 19.000 0.163 0.000 1.580 561 A HN 0.455 nan 8.150 nan 0.000 0.499 562 Q N -0.213 119.712 119.800 0.207 0.000 2.368 562 Q HA -0.138 4.202 4.340 -0.000 0.000 0.210 562 Q C 1.909 177.936 176.000 0.045 0.000 0.982 562 Q CA 1.389 57.273 55.803 0.136 0.000 0.884 562 Q CB -0.125 28.653 28.738 0.067 0.000 0.933 562 Q HN 0.542 nan 8.270 nan 0.000 0.460 563 R N -0.553 119.932 120.500 -0.026 0.000 2.236 563 R HA -0.093 4.247 4.340 -0.000 0.000 0.208 563 R C 0.731 176.747 176.300 -0.472 0.000 1.036 563 R CA 0.906 56.830 56.100 -0.293 0.000 1.001 563 R CB 0.302 30.323 30.300 -0.466 0.000 0.896 563 R HN 0.273 nan 8.270 nan 0.000 0.464 564 Y N -1.853 118.375 120.300 -0.119 0.000 2.535 564 Y HA 0.258 4.808 4.550 -0.000 0.000 0.264 564 Y C -0.075 175.558 175.900 -0.445 0.000 1.087 564 Y CA -0.422 57.495 58.100 -0.305 0.000 1.285 564 Y CB 0.524 38.666 38.460 -0.531 0.000 1.200 564 Y HN -0.168 nan 8.280 nan 0.000 0.514 565 F N 0.036 120.104 119.950 0.196 0.000 2.421 565 F HA 0.274 4.801 4.527 -0.000 0.000 0.337 565 F C 0.812 176.639 175.800 0.045 0.000 1.105 565 F CA -0.835 57.248 58.000 0.138 0.000 1.049 565 F CB 1.419 40.502 39.000 0.140 0.000 1.139 565 F HN -0.202 nan 8.300 nan 0.000 0.479 566 L N 2.289 123.627 121.223 0.191 0.000 2.291 566 L HA 0.181 4.521 4.340 -0.000 0.000 0.214 566 L C -0.536 176.138 176.870 -0.326 0.000 1.120 566 L CA 1.705 56.498 54.840 -0.079 0.000 0.799 566 L CB -0.390 41.627 42.059 -0.069 0.000 0.925 566 L HN 0.462 nan 8.230 nan 0.000 0.446 567 F N 0.000 120.044 119.950 0.156 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.055 58.000 0.091 0.000 1.383 567 F CB 0.000 39.035 39.000 0.059 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574