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 1fwf_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 DTHIHWICPQ 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 0.000 174.617 174.600 0.029 0.000 1.055 2 S CA 0.000 58.220 58.200 0.033 0.000 1.107 2 S CB 0.000 63.222 63.200 0.037 0.000 0.593 3 N N -0.089 118.628 118.700 0.028 0.000 2.357 3 N HA 0.767 5.507 4.740 -0.000 0.000 0.284 3 N C -1.819 173.713 175.510 0.037 0.000 1.236 3 N CA -0.398 52.661 53.050 0.016 0.000 0.774 3 N CB 2.588 41.077 38.487 0.004 0.000 1.534 3 N HN 0.701 nan 8.380 nan 0.000 0.478 4 I N 0.574 121.165 120.570 0.035 0.000 2.752 4 I HA 0.205 4.375 4.170 -0.000 0.000 0.295 4 I C -0.233 175.915 176.117 0.052 0.000 1.219 4 I CA -0.439 60.908 61.300 0.077 0.000 1.030 4 I CB 1.925 40.029 38.000 0.173 0.000 1.259 4 I HN 0.631 nan 8.210 nan 0.000 0.423 5 S N 6.118 121.854 115.700 0.059 0.000 2.585 5 S HA 0.345 4.815 4.470 -0.000 0.000 0.273 5 S C 1.033 175.675 174.600 0.070 0.000 1.339 5 S CA -0.423 57.801 58.200 0.039 0.000 1.028 5 S CB 1.545 64.766 63.200 0.035 0.000 0.906 5 S HN 0.812 nan 8.310 nan 0.000 0.528 6 R N 0.434 120.952 120.500 0.031 0.000 2.105 6 R HA -0.152 4.188 4.340 -0.000 0.000 0.239 6 R C 2.389 178.762 176.300 0.122 0.000 1.135 6 R CA 1.771 57.901 56.100 0.049 0.000 0.967 6 R CB -0.447 29.851 30.300 -0.004 0.000 0.861 6 R HN 0.799 nan 8.270 nan 0.000 0.442 7 Q N 0.605 120.457 119.800 0.086 0.000 2.046 7 Q HA -0.062 4.277 4.340 -0.000 0.000 0.200 7 Q C 1.879 177.935 176.000 0.094 0.000 0.975 7 Q CA 2.063 57.916 55.803 0.084 0.000 0.836 7 Q CB -0.278 28.492 28.738 0.052 0.000 0.896 7 Q HN 0.301 nan 8.270 nan 0.000 0.428 8 A N -0.712 122.161 122.820 0.090 0.000 1.933 8 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 8 A C 2.043 179.683 177.584 0.093 0.000 1.175 8 A CA 1.454 53.531 52.037 0.067 0.000 0.628 8 A CB -1.046 17.991 19.000 0.061 0.000 0.814 8 A HN 0.624 nan 8.150 nan 0.000 0.444 9 Y N 0.471 120.819 120.300 0.079 0.000 2.145 9 Y HA -0.099 4.451 4.550 -0.000 0.000 0.286 9 Y C 2.674 178.683 175.900 0.182 0.000 1.145 9 Y CA 1.497 59.709 58.100 0.187 0.000 1.148 9 Y CB -0.386 38.161 38.460 0.145 0.000 0.981 9 Y HN 0.314 nan 8.280 nan 0.000 0.507 10 A N 0.034 123.039 122.820 0.308 0.000 1.940 10 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 10 A C 1.843 179.463 177.584 0.060 0.000 1.176 10 A CA 2.051 54.215 52.037 0.211 0.000 0.631 10 A CB -0.799 18.307 19.000 0.177 0.000 0.814 10 A HN 0.547 nan 8.150 nan 0.000 0.446 11 D N -0.958 119.449 120.400 0.011 0.000 2.178 11 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 11 D C 1.919 178.124 176.300 -0.159 0.000 0.974 11 D CA 1.134 55.105 54.000 -0.048 0.000 0.841 11 D CB -0.202 40.575 40.800 -0.038 0.000 0.953 11 D HN 0.482 nan 8.370 nan 0.000 0.478 12 M N -1.364 118.050 119.600 -0.311 0.000 2.325 12 M HA 0.046 4.526 4.480 -0.000 0.000 0.265 12 M C 0.656 176.437 176.300 -0.867 0.000 1.094 12 M CA 0.945 55.835 55.300 -0.683 0.000 1.161 12 M CB 0.367 32.326 32.600 -1.068 0.000 1.358 12 M HN -0.083 nan 8.290 nan 0.000 0.446 13 F N -0.298 119.493 119.950 -0.264 0.000 2.729 13 F HA 0.459 4.986 4.527 -0.000 0.000 0.315 13 F C 0.921 176.689 175.800 -0.053 0.000 1.102 13 F CA -0.029 57.847 58.000 -0.205 0.000 1.204 13 F CB 0.318 39.074 39.000 -0.407 0.000 1.052 13 F HN 0.200 nan 8.300 nan 0.000 0.551 14 G N 1.620 110.483 108.800 0.104 0.000 2.707 14 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.686 14 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.686 14 G C -2.988 172.050 174.900 0.231 0.000 1.315 14 G CA -1.348 43.839 45.100 0.145 0.000 0.832 14 G HN -0.052 nan 8.290 nan 0.000 0.573 15 P HA 0.420 nan 4.420 nan 0.000 0.272 15 P C 0.136 177.586 177.300 0.249 0.000 1.230 15 P CA 0.471 63.699 63.100 0.214 0.000 0.788 15 P CB 1.594 33.378 31.700 0.140 0.000 0.949 16 T N -0.362 114.327 114.554 0.224 0.000 2.724 16 T HA 0.284 4.634 4.350 -0.000 0.000 0.274 16 T C -0.446 174.328 174.700 0.123 0.000 0.984 16 T CA -0.784 61.436 62.100 0.200 0.000 1.024 16 T CB 0.592 69.587 68.868 0.213 0.000 1.320 16 T HN 0.100 nan 8.240 nan 0.000 0.555 17 V N 2.226 122.209 119.914 0.115 0.000 2.644 17 V HA 0.314 4.434 4.120 -0.000 0.000 0.303 17 V C 1.868 177.995 176.094 0.055 0.000 1.058 17 V CA 1.716 64.064 62.300 0.081 0.000 1.228 17 V CB -0.264 31.608 31.823 0.081 0.000 0.861 17 V HN 1.327 nan 8.190 nan 0.000 0.484 18 G N 3.710 112.539 108.800 0.048 0.000 2.258 18 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.233 18 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.233 18 G C -0.031 174.891 174.900 0.036 0.000 1.006 18 G CA 0.039 45.158 45.100 0.032 0.000 0.620 18 G HN 0.669 nan 8.290 nan 0.000 0.511 19 D N 1.397 121.830 120.400 0.055 0.000 2.362 19 D HA 0.548 5.188 4.640 -0.000 0.000 0.242 19 D C 0.604 176.956 176.300 0.087 0.000 1.132 19 D CA 0.411 54.454 54.000 0.071 0.000 0.907 19 D CB 0.920 41.777 40.800 0.095 0.000 1.195 19 D HN 0.422 nan 8.370 nan 0.000 0.429 20 K N 0.134 120.607 120.400 0.122 0.000 2.267 20 K HA 0.669 4.989 4.320 -0.000 0.000 0.246 20 K C -1.046 175.731 176.600 0.295 0.000 0.954 20 K CA -0.972 55.439 56.287 0.207 0.000 0.824 20 K CB 2.276 34.901 32.500 0.209 0.000 1.167 20 K HN 0.084 nan 8.250 nan 0.000 0.431 21 V N 1.715 121.776 119.914 0.244 0.000 2.638 21 V HA 0.384 4.504 4.120 -0.000 0.000 0.306 21 V C -0.490 175.453 176.094 -0.251 0.000 1.052 21 V CA -1.016 61.303 62.300 0.032 0.000 0.885 21 V CB 1.697 33.483 31.823 -0.061 0.000 0.999 21 V HN 0.703 nan 8.190 nan 0.000 0.424 22 R N 3.964 124.047 120.500 -0.694 0.000 2.340 22 R HA 0.512 4.852 4.340 -0.000 0.000 0.300 22 R C -0.945 174.978 176.300 -0.629 0.000 1.069 22 R CA -0.531 54.889 56.100 -1.133 0.000 0.984 22 R CB 0.622 30.097 30.300 -1.375 0.000 1.003 22 R HN 0.728 nan 8.270 nan 0.000 0.459 23 L N 6.260 127.131 121.223 -0.588 0.000 2.295 23 L HA 0.256 4.596 4.340 -0.000 0.000 0.288 23 L C 1.094 177.767 176.870 -0.327 0.000 1.079 23 L CA 0.266 54.801 54.840 -0.509 0.000 0.830 23 L CB 0.593 42.261 42.059 -0.651 0.000 1.200 23 L HN 1.133 nan 8.230 nan 0.000 0.438 24 A N 4.103 126.787 122.820 -0.226 0.000 5.483 24 A HA -0.316 4.004 4.320 -0.000 0.000 0.309 24 A C 0.793 178.286 177.584 -0.151 0.000 1.898 24 A CA 1.419 53.368 52.037 -0.148 0.000 0.716 24 A CB -1.071 17.835 19.000 -0.156 0.000 1.309 24 A HN 0.954 nan 8.150 nan 0.000 0.380 25 D N 0.104 120.461 120.400 -0.071 0.000 2.525 25 D HA 0.338 4.978 4.640 -0.000 0.000 0.229 25 D C 0.726 176.948 176.300 -0.130 0.000 1.202 25 D CA 1.023 54.968 54.000 -0.091 0.000 0.828 25 D CB -1.043 39.737 40.800 -0.034 0.000 1.008 25 D HN 1.093 nan 8.370 nan 0.000 0.493 26 T N -2.700 111.758 114.554 -0.160 0.000 2.814 26 T HA 0.259 4.609 4.350 -0.000 0.000 0.284 26 T C 0.781 175.491 174.700 0.016 0.000 0.998 26 T CA -0.490 61.546 62.100 -0.106 0.000 0.935 26 T CB 1.544 70.389 68.868 -0.038 0.000 1.167 26 T HN -0.217 nan 8.240 nan 0.000 0.545 27 E N -0.043 120.325 120.200 0.279 0.000 2.476 27 E HA 0.288 4.638 4.350 -0.000 0.000 0.196 27 E C -0.067 176.626 176.600 0.156 0.000 1.029 27 E CA -0.108 56.411 56.400 0.198 0.000 0.896 27 E CB -0.131 29.683 29.700 0.189 0.000 1.012 27 E HN 0.544 nan 8.360 nan 0.000 0.475 28 L N 0.664 121.898 121.223 0.018 0.000 2.305 28 L HA 0.263 4.603 4.340 -0.000 0.000 0.281 28 L C -0.418 176.360 176.870 -0.153 0.000 1.085 28 L CA -0.324 54.515 54.840 -0.001 0.000 0.813 28 L CB 0.464 42.493 42.059 -0.050 0.000 1.157 28 L HN -0.081 nan 8.230 nan 0.000 0.436 29 W N 4.667 125.921 121.300 -0.075 0.000 2.656 29 W HA 0.624 5.284 4.660 -0.000 0.000 0.327 29 W C -0.219 176.240 176.519 -0.101 0.000 1.041 29 W CA -0.482 56.809 57.345 -0.090 0.000 1.229 29 W CB 1.547 30.975 29.460 -0.052 0.000 1.397 29 W HN 0.239 nan 8.180 nan 0.000 0.479 30 I N -0.403 120.217 120.570 0.082 0.000 2.648 30 I HA 0.666 4.836 4.170 -0.000 0.000 0.304 30 I C -0.546 175.610 176.117 0.065 0.000 1.009 30 I CA -1.097 60.209 61.300 0.010 0.000 1.114 30 I CB 2.181 40.104 38.000 -0.129 0.000 1.293 30 I HN 0.405 nan 8.210 nan 0.000 0.449 31 E N 4.043 124.270 120.200 0.045 0.000 2.210 31 E HA 0.427 4.777 4.350 -0.000 0.000 0.266 31 E C -1.319 175.301 176.600 0.034 0.000 0.883 31 E CA -0.916 55.514 56.400 0.051 0.000 0.761 31 E CB 2.368 32.095 29.700 0.045 0.000 1.156 31 E HN 0.610 nan 8.360 nan 0.000 0.412 32 V N 5.072 125.012 119.914 0.043 0.000 2.493 32 V HA -0.046 4.074 4.120 -0.000 0.000 0.292 32 V C 0.973 177.095 176.094 0.047 0.000 1.016 32 V CA 0.695 63.022 62.300 0.045 0.000 1.097 32 V CB 0.664 32.529 31.823 0.070 0.000 0.947 32 V HN 0.838 nan 8.190 nan 0.000 0.479 33 E N 2.322 122.548 120.200 0.043 0.000 2.170 33 E HA 0.048 4.398 4.350 -0.000 0.000 0.191 33 E C 0.170 176.807 176.600 0.061 0.000 0.981 33 E CA 0.479 56.909 56.400 0.051 0.000 0.830 33 E CB 0.373 30.105 29.700 0.054 0.000 0.775 33 E HN 0.759 nan 8.360 nan 0.000 0.470 34 D N -0.764 119.676 120.400 0.067 0.000 2.622 34 D HA 0.182 4.822 4.640 -0.000 0.000 0.255 34 D C -1.996 174.345 176.300 0.068 0.000 1.246 34 D CA -0.561 53.479 54.000 0.067 0.000 0.795 34 D CB 1.978 42.827 40.800 0.081 0.000 1.369 34 D HN -0.205 nan 8.370 nan 0.000 0.425 35 D N 1.944 122.370 120.400 0.043 0.000 2.788 35 D HA 0.224 4.864 4.640 -0.000 0.000 0.247 35 D C 0.049 176.333 176.300 -0.026 0.000 1.236 35 D CA -0.404 53.613 54.000 0.028 0.000 0.898 35 D CB 1.585 42.402 40.800 0.028 0.000 1.401 35 D HN 0.120 nan 8.370 nan 0.000 0.549 36 L N 2.508 123.731 121.223 0.000 0.000 2.612 36 L HA 0.157 4.497 4.340 -0.000 0.000 0.230 36 L C 1.421 178.254 176.870 -0.061 0.000 1.140 36 L CA 0.513 55.343 54.840 -0.017 0.000 0.896 36 L CB -0.585 41.491 42.059 0.028 0.000 1.065 36 L HN 0.374 nan 8.230 nan 0.000 0.447 37 T N -1.170 113.315 114.554 -0.115 0.000 2.770 37 T HA 0.301 4.651 4.350 -0.000 0.000 0.281 37 T C 0.140 174.681 174.700 -0.266 0.000 0.981 37 T CA -0.169 61.841 62.100 -0.151 0.000 0.955 37 T CB 0.718 69.511 68.868 -0.125 0.000 1.060 37 T HN 0.076 nan 8.240 nan 0.000 0.531 38 T N 2.675 117.104 114.554 -0.208 0.000 2.864 38 T HA 0.362 4.712 4.350 -0.000 0.000 0.310 38 T C -0.946 173.678 174.700 -0.127 0.000 1.040 38 T CA -0.226 61.761 62.100 -0.187 0.000 0.977 38 T CB -0.108 68.713 68.868 -0.077 0.000 0.976 38 T HN 0.514 nan 8.240 nan 0.000 0.459 39 Y N 2.017 122.298 120.300 -0.032 0.000 2.852 39 Y HA 0.227 4.777 4.550 -0.000 0.000 0.343 39 Y C 1.727 177.610 175.900 -0.027 0.000 1.280 39 Y CA 0.960 59.038 58.100 -0.036 0.000 1.604 39 Y CB 0.097 38.521 38.460 -0.060 0.000 1.216 39 Y HN 1.034 nan 8.280 nan 0.000 0.541 40 G N 2.127 110.997 108.800 0.117 0.000 2.238 40 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 40 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 40 G C 0.521 175.431 174.900 0.016 0.000 0.996 40 G CA -0.148 44.988 45.100 0.059 0.000 0.632 40 G HN 0.539 nan 8.290 nan 0.000 0.503 41 E N 0.954 121.150 120.200 -0.007 0.000 2.558 41 E HA 0.234 4.584 4.350 -0.000 0.000 0.205 41 E C 0.199 176.786 176.600 -0.022 0.000 1.006 41 E CA -0.027 56.369 56.400 -0.006 0.000 0.961 41 E CB 0.538 30.238 29.700 -0.001 0.000 1.044 41 E HN 0.670 nan 8.360 nan 0.000 0.465 42 E N 0.888 121.036 120.200 -0.087 0.000 2.392 42 E HA 0.069 4.419 4.350 -0.000 0.000 0.264 42 E C 0.173 176.801 176.600 0.046 0.000 1.024 42 E CA -0.117 56.236 56.400 -0.079 0.000 0.903 42 E CB 0.887 30.375 29.700 -0.354 0.000 0.963 42 E HN -0.082 nan 8.360 nan 0.000 0.432 43 V N 0.256 120.224 119.914 0.090 0.000 2.465 43 V HA 0.504 4.624 4.120 -0.000 0.000 0.279 43 V C -0.012 176.188 176.094 0.177 0.000 1.045 43 V CA -0.595 61.778 62.300 0.122 0.000 0.938 43 V CB 1.039 32.923 31.823 0.102 0.000 0.986 43 V HN 0.498 nan 8.190 nan 0.000 0.467 44 K N 3.538 124.047 120.400 0.181 0.000 2.464 44 K HA 0.568 4.888 4.320 -0.000 0.000 0.253 44 K C -1.782 174.922 176.600 0.172 0.000 0.933 44 K CA -0.668 55.727 56.287 0.180 0.000 0.801 44 K CB 2.629 35.227 32.500 0.163 0.000 1.271 44 K HN 0.746 nan 8.250 nan 0.000 0.430 45 F N 1.524 121.496 119.950 0.037 0.000 2.422 45 F HA 0.712 5.239 4.527 -0.000 0.000 0.333 45 F C 0.182 175.988 175.800 0.010 0.000 1.095 45 F CA 0.402 58.415 58.000 0.022 0.000 1.038 45 F CB 1.639 40.649 39.000 0.018 0.000 1.156 45 F HN 0.670 nan 8.300 nan 0.000 0.483 46 G N 2.413 110.543 108.800 -1.117 0.000 2.369 46 G HA2 0.350 4.310 3.960 -0.000 0.000 0.307 46 G HA3 0.350 4.310 3.960 -0.000 0.000 0.307 46 G C -0.754 173.845 174.900 -0.502 0.000 1.327 46 G CA -0.526 44.078 45.100 -0.827 0.000 0.963 46 G HN 1.085 nan 8.290 nan 0.000 0.590 47 G N -0.733 107.876 108.800 -0.319 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 1.473 176.290 174.900 -0.138 0.000 1.259 47 G CA 1.809 46.794 45.100 -0.192 0.000 0.943 47 G HN 2.469 nan 8.290 nan 0.000 0.479 48 G N 1.654 110.389 108.800 -0.107 0.000 2.155 48 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 48 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 48 G C 0.810 175.675 174.900 -0.057 0.000 0.983 48 G CA 0.853 45.913 45.100 -0.066 0.000 0.676 48 G HN 0.735 nan 8.290 nan 0.000 0.528 49 K N -0.601 119.746 120.400 -0.088 0.000 2.761 49 K HA 0.574 4.894 4.320 -0.000 0.000 0.286 49 K C 1.897 178.495 176.600 -0.004 0.000 1.019 49 K CA 0.038 56.296 56.287 -0.048 0.000 1.070 49 K CB -0.057 32.394 32.500 -0.083 0.000 1.387 49 K HN 0.054 nan 8.250 nan 0.000 0.509 50 V N 0.676 120.614 119.914 0.039 0.000 2.346 50 V HA -0.077 4.043 4.120 -0.000 0.000 0.244 50 V C 1.463 177.601 176.094 0.073 0.000 1.037 50 V CA 1.136 63.474 62.300 0.063 0.000 1.029 50 V CB -0.330 31.546 31.823 0.088 0.000 0.663 50 V HN 0.458 nan 8.190 nan 0.000 0.454 51 I N 2.489 123.126 120.570 0.113 0.000 2.366 51 I HA 0.155 4.325 4.170 -0.000 0.000 0.302 51 I C 0.353 176.554 176.117 0.140 0.000 1.194 51 I CA 0.692 62.081 61.300 0.149 0.000 1.667 51 I CB -0.737 37.404 38.000 0.236 0.000 1.501 51 I HN 0.248 nan 8.210 nan 0.000 0.776 52 R N 2.389 122.938 120.500 0.081 0.000 2.740 52 R HA 0.264 4.604 4.340 -0.000 0.000 0.273 52 R C -0.898 175.429 176.300 0.044 0.000 0.998 52 R CA -1.212 54.923 56.100 0.060 0.000 0.900 52 R CB 1.692 32.009 30.300 0.029 0.000 1.223 52 R HN 0.216 nan 8.270 nan 0.000 0.466 53 D N 0.442 120.864 120.400 0.037 0.000 2.658 53 D HA 0.019 4.659 4.640 -0.000 0.000 0.230 53 D C 1.220 177.533 176.300 0.022 0.000 1.118 53 D CA 2.629 56.645 54.000 0.026 0.000 0.848 53 D CB 0.370 41.182 40.800 0.020 0.000 1.160 53 D HN 0.696 nan 8.370 nan 0.000 0.497 54 G N 2.683 111.495 108.800 0.020 0.000 2.234 54 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.260 54 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.260 54 G C 0.799 175.711 174.900 0.021 0.000 0.987 54 G CA 0.923 46.033 45.100 0.018 0.000 0.625 54 G HN 0.523 nan 8.290 nan 0.000 0.532 55 M N -0.798 118.818 119.600 0.025 0.000 2.209 55 M HA 0.475 4.955 4.480 -0.000 0.000 0.195 55 M C 2.469 178.790 176.300 0.035 0.000 1.518 55 M CA 0.877 56.194 55.300 0.029 0.000 1.747 55 M CB -0.363 32.255 32.600 0.030 0.000 1.021 55 M HN 0.118 nan 8.290 nan 0.000 0.829 56 G N 0.013 108.839 108.800 0.045 0.000 2.679 56 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.212 56 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.212 56 G C 0.423 175.352 174.900 0.048 0.000 1.137 56 G CA 0.170 45.300 45.100 0.051 0.000 0.787 56 G HN 0.477 nan 8.290 nan 0.000 0.534 57 Q N 0.099 119.925 119.800 0.044 0.000 2.322 57 Q HA 0.557 4.897 4.340 -0.000 0.000 0.265 57 Q C 0.235 176.249 176.000 0.024 0.000 0.985 57 Q CA -0.658 55.166 55.803 0.035 0.000 0.849 57 Q CB 1.590 30.354 28.738 0.044 0.000 1.274 57 Q HN 0.133 nan 8.270 nan 0.000 0.449 58 G N 1.352 110.161 108.800 0.015 0.000 2.531 58 G HA2 0.122 4.082 3.960 -0.000 0.000 0.281 58 G HA3 0.122 4.082 3.960 -0.000 0.000 0.281 58 G C 0.052 174.955 174.900 0.006 0.000 1.382 58 G CA -0.218 44.889 45.100 0.011 0.000 1.045 58 G HN 0.670 nan 8.290 nan 0.000 0.533 59 Q N -0.113 119.690 119.800 0.004 0.000 2.247 59 Q HA 0.099 4.439 4.340 -0.000 0.000 0.204 59 Q C 1.088 177.087 176.000 -0.003 0.000 0.872 59 Q CA -0.283 55.521 55.803 0.001 0.000 0.951 59 Q CB 0.182 28.922 28.738 0.003 0.000 1.099 59 Q HN 0.648 nan 8.270 nan 0.000 0.501 60 M N -0.571 119.026 119.600 -0.006 0.000 2.232 60 M HA 0.240 4.720 4.480 -0.000 0.000 0.321 60 M C -0.001 176.289 176.300 -0.017 0.000 1.101 60 M CA -0.011 55.283 55.300 -0.010 0.000 1.181 60 M CB 0.214 32.807 32.600 -0.012 0.000 1.432 60 M HN -0.096 nan 8.290 nan 0.000 0.457 61 L N 2.082 123.295 121.223 -0.017 0.000 2.475 61 L HA 0.279 4.619 4.340 -0.000 0.000 0.253 61 L C 1.914 178.765 176.870 -0.032 0.000 1.198 61 L CA -0.160 54.668 54.840 -0.021 0.000 0.814 61 L CB 0.401 42.451 42.059 -0.015 0.000 1.134 61 L HN 1.019 nan 8.230 nan 0.000 0.478 62 A N 1.501 124.300 122.820 -0.036 0.000 1.927 62 A HA -0.252 4.067 4.320 -0.000 0.000 0.220 62 A C 2.273 179.823 177.584 -0.057 0.000 1.185 62 A CA 2.147 54.155 52.037 -0.049 0.000 0.639 62 A CB -0.906 18.068 19.000 -0.044 0.000 0.820 62 A HN 0.914 nan 8.150 nan 0.000 0.451 63 A N -0.739 122.058 122.820 -0.039 0.000 2.076 63 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 63 A C 1.323 178.882 177.584 -0.043 0.000 1.160 63 A CA 1.694 53.711 52.037 -0.033 0.000 0.653 63 A CB -0.318 18.675 19.000 -0.011 0.000 0.801 63 A HN 0.488 nan 8.150 nan 0.000 0.455 64 D N -1.044 119.329 120.400 -0.045 0.000 2.388 64 D HA 0.207 4.847 4.640 -0.000 0.000 0.221 64 D C 0.259 176.508 176.300 -0.084 0.000 1.133 64 D CA 0.593 54.567 54.000 -0.042 0.000 0.831 64 D CB -0.135 40.657 40.800 -0.013 0.000 0.962 64 D HN 0.613 nan 8.370 nan 0.000 0.502 65 C N -1.309 117.909 119.300 -0.137 0.000 3.171 65 C HA 0.767 5.227 4.460 -0.000 0.000 0.308 65 C C 0.249 175.075 174.990 -0.273 0.000 1.334 65 C CA -1.184 57.727 59.018 -0.179 0.000 1.473 65 C CB 1.110 28.789 27.740 -0.102 0.000 1.866 65 C HN 0.009 nan 8.230 nan 0.000 0.465 66 V N 0.060 119.790 119.914 -0.305 0.000 2.953 66 V HA 0.421 4.541 4.120 -0.000 0.000 0.304 66 V C 0.556 176.552 176.094 -0.162 0.000 1.073 66 V CA 0.412 62.527 62.300 -0.308 0.000 1.064 66 V CB 0.724 32.383 31.823 -0.273 0.000 1.047 66 V HN 0.909 nan 8.190 nan 0.000 0.478 67 D N 0.965 121.290 120.400 -0.125 0.000 2.194 67 D HA 0.156 4.796 4.640 -0.000 0.000 0.204 67 D C 0.199 176.459 176.300 -0.067 0.000 0.964 67 D CA 1.237 55.188 54.000 -0.082 0.000 0.846 67 D CB 0.567 41.332 40.800 -0.058 0.000 0.962 67 D HN 0.499 nan 8.370 nan 0.000 0.490 68 L N 0.061 121.252 121.223 -0.053 0.000 2.472 68 L HA 0.470 4.810 4.340 -0.000 0.000 0.260 68 L C -1.728 175.133 176.870 -0.015 0.000 0.963 68 L CA -0.843 53.975 54.840 -0.036 0.000 0.829 68 L CB 2.623 44.672 42.059 -0.017 0.000 1.348 68 L HN -0.280 nan 8.230 nan 0.000 0.408 69 V N 5.655 125.561 119.914 -0.013 0.000 2.638 69 V HA 0.609 4.729 4.120 -0.000 0.000 0.306 69 V C -1.332 174.777 176.094 0.025 0.000 1.052 69 V CA -0.454 61.857 62.300 0.018 0.000 0.885 69 V CB 1.967 33.801 31.823 0.019 0.000 0.999 69 V HN 0.718 nan 8.190 nan 0.000 0.424 70 L N 6.600 127.855 121.223 0.053 0.000 2.262 70 L HA 0.517 4.857 4.340 -0.000 0.000 0.288 70 L C 0.694 177.611 176.870 0.079 0.000 1.035 70 L CA 0.137 55.013 54.840 0.061 0.000 0.820 70 L CB 1.674 43.778 42.059 0.075 0.000 1.204 70 L HN 0.853 nan 8.230 nan 0.000 0.424 71 T N -0.203 114.399 114.554 0.080 0.000 2.869 71 T HA 0.262 4.612 4.350 -0.000 0.000 0.295 71 T C 0.591 175.362 174.700 0.118 0.000 0.987 71 T CA -0.691 61.470 62.100 0.102 0.000 1.109 71 T CB 0.535 69.471 68.868 0.114 0.000 0.932 71 T HN 0.600 nan 8.240 nan 0.000 0.518 72 N N 0.067 118.845 118.700 0.129 0.000 2.725 72 N HA -0.157 4.583 4.740 -0.000 0.000 0.251 72 N C 0.033 175.625 175.510 0.136 0.000 1.031 72 N CA 0.850 53.988 53.050 0.148 0.000 0.720 72 N CB -1.659 36.941 38.487 0.189 0.000 0.930 72 N HN 1.122 nan 8.380 nan 0.000 0.543 73 A N 0.127 123.023 122.820 0.126 0.000 2.340 73 A HA 0.541 4.861 4.320 -0.000 0.000 0.268 73 A C 0.457 178.113 177.584 0.119 0.000 1.100 73 A CA -0.499 51.612 52.037 0.124 0.000 0.803 73 A CB 0.753 19.828 19.000 0.125 0.000 1.043 73 A HN 0.313 nan 8.150 nan 0.000 0.488 74 L N 4.058 125.347 121.223 0.109 0.000 2.272 74 L HA 0.461 4.801 4.340 -0.000 0.000 0.284 74 L C -0.512 176.396 176.870 0.062 0.000 1.045 74 L CA -0.181 54.706 54.840 0.079 0.000 0.842 74 L CB -0.123 41.973 42.059 0.061 0.000 1.224 74 L HN 0.550 nan 8.230 nan 0.000 0.430 75 I N 5.388 125.984 120.570 0.042 0.000 2.441 75 I HA 0.224 4.394 4.170 -0.000 0.000 0.287 75 I C -0.368 175.674 176.117 -0.125 0.000 1.049 75 I CA -0.435 60.863 61.300 -0.004 0.000 1.381 75 I CB 1.149 39.152 38.000 0.006 0.000 1.409 75 I HN 0.243 nan 8.210 nan 0.000 0.523 76 V N 5.888 125.743 119.914 -0.098 0.000 2.349 76 V HA 0.410 4.530 4.120 -0.000 0.000 0.284 76 V C -0.516 175.479 176.094 -0.165 0.000 1.014 76 V CA -0.304 61.906 62.300 -0.150 0.000 0.826 76 V CB 1.442 33.203 31.823 -0.103 0.000 1.009 76 V HN 0.692 nan 8.190 nan 0.000 0.431 77 D N 0.883 121.045 120.400 -0.397 0.000 2.610 77 D HA 0.306 4.946 4.640 -0.000 0.000 0.271 77 D C 0.852 176.915 176.300 -0.395 0.000 1.174 77 D CA -0.411 53.333 54.000 -0.427 0.000 0.949 77 D CB 1.513 41.843 40.800 -0.784 0.000 1.430 77 D HN 0.670 nan 8.370 nan 0.000 0.467 78 H N -0.296 118.685 119.070 -0.147 0.000 2.456 78 H HA -0.029 4.527 4.556 -0.000 0.000 0.296 78 H C 1.429 176.865 175.328 0.179 0.000 1.079 78 H CA 1.712 57.800 56.048 0.065 0.000 1.322 78 H CB -0.311 29.518 29.762 0.112 0.000 1.388 78 H HN 0.494 nan 8.280 nan 0.000 0.538 79 W N 0.498 121.605 121.300 -0.322 0.000 3.077 79 W HA 0.583 5.243 4.660 -0.000 0.000 0.266 79 W C -0.139 176.384 176.519 0.006 0.000 1.300 79 W CA 0.190 57.466 57.345 -0.116 0.000 1.586 79 W CB 0.141 29.442 29.460 -0.266 0.000 1.103 79 W HN 0.389 nan 8.180 nan 0.000 0.652 80 G N 0.894 109.428 108.800 -0.443 0.000 2.338 80 G HA2 0.401 4.361 3.960 -0.000 0.000 0.295 80 G HA3 0.401 4.361 3.960 -0.000 0.000 0.295 80 G C -2.022 172.599 174.900 -0.465 0.000 1.461 80 G CA -1.064 43.868 45.100 -0.279 0.000 0.817 80 G HN 0.048 nan 8.290 nan 0.000 0.556 81 I N 1.578 122.024 120.570 -0.207 0.000 2.502 81 I HA 0.443 4.613 4.170 -0.000 0.000 0.276 81 I C 0.087 176.163 176.117 -0.068 0.000 1.057 81 I CA -0.938 60.264 61.300 -0.163 0.000 1.163 81 I CB 1.294 39.234 38.000 -0.101 0.000 1.288 81 I HN 0.533 nan 8.210 nan 0.000 0.479 82 V N 2.189 122.067 119.914 -0.060 0.000 2.914 82 V HA 0.646 4.766 4.120 -0.000 0.000 0.314 82 V C -0.588 175.551 176.094 0.074 0.000 1.084 82 V CA -1.047 61.283 62.300 0.050 0.000 0.963 82 V CB 2.190 34.104 31.823 0.151 0.000 1.025 82 V HN 0.513 nan 8.190 nan 0.000 0.432 83 K N 2.212 122.669 120.400 0.094 0.000 2.227 83 K HA 0.892 5.212 4.320 -0.000 0.000 0.280 83 K C -0.371 176.296 176.600 0.112 0.000 1.041 83 K CA 0.733 57.086 56.287 0.109 0.000 0.905 83 K CB 0.831 33.407 32.500 0.126 0.000 1.068 83 K HN 1.598 nan 8.250 nan 0.000 0.470 84 A N 3.244 126.136 122.820 0.120 0.000 2.515 84 A HA 0.418 4.738 4.320 -0.000 0.000 0.292 84 A C -1.753 175.900 177.584 0.116 0.000 1.065 84 A CA -0.947 51.158 52.037 0.113 0.000 0.641 84 A CB 0.765 19.845 19.000 0.132 0.000 1.306 84 A HN 0.646 nan 8.150 nan 0.000 0.441 85 D N 0.532 120.994 120.400 0.104 0.000 2.175 85 D HA 0.602 5.242 4.640 -0.000 0.000 0.248 85 D C -0.620 175.750 176.300 0.116 0.000 1.047 85 D CA 0.308 54.370 54.000 0.104 0.000 0.883 85 D CB 1.431 42.286 40.800 0.090 0.000 1.180 85 D HN 0.430 nan 8.370 nan 0.000 0.438 86 I N 0.970 121.611 120.570 0.118 0.000 2.406 86 I HA 0.375 4.545 4.170 -0.000 0.000 0.290 86 I C 0.742 176.935 176.117 0.127 0.000 0.999 86 I CA -0.766 60.612 61.300 0.131 0.000 1.124 86 I CB 2.016 40.097 38.000 0.135 0.000 1.289 86 I HN 0.195 nan 8.210 nan 0.000 0.441 87 G N 5.429 114.329 108.800 0.168 0.000 2.356 87 G HA2 0.613 4.573 3.960 -0.000 0.000 0.322 87 G HA3 0.613 4.573 3.960 -0.000 0.000 0.322 87 G C -0.958 174.061 174.900 0.197 0.000 1.125 87 G CA -0.337 44.871 45.100 0.180 0.000 0.885 87 G HN 0.341 nan 8.290 nan 0.000 0.467 88 V N 1.959 121.937 119.914 0.108 0.000 2.531 88 V HA 0.615 4.735 4.120 -0.000 0.000 0.301 88 V C -0.152 175.965 176.094 0.037 0.000 1.034 88 V CA -0.816 61.547 62.300 0.104 0.000 0.865 88 V CB 1.811 33.678 31.823 0.073 0.000 0.995 88 V HN 0.819 nan 8.190 nan 0.000 0.424 89 K N 3.028 123.473 120.400 0.075 0.000 2.513 89 K HA 0.426 4.746 4.320 -0.000 0.000 0.251 89 K C -0.678 175.961 176.600 0.065 0.000 0.939 89 K CA -0.479 55.812 56.287 0.006 0.000 0.793 89 K CB 1.413 33.848 32.500 -0.108 0.000 1.241 89 K HN 0.675 nan 8.250 nan 0.000 0.431 90 D N 3.058 123.485 120.400 0.045 0.000 2.870 90 D HA -0.184 4.456 4.640 -0.000 0.000 0.228 90 D C 0.587 176.943 176.300 0.094 0.000 1.147 90 D CA 1.839 55.884 54.000 0.075 0.000 0.757 90 D CB -1.127 39.721 40.800 0.079 0.000 1.091 90 D HN 1.105 nan 8.370 nan 0.000 0.429 91 G N -0.512 108.340 108.800 0.086 0.000 2.184 91 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.264 91 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.264 91 G C 0.367 175.317 174.900 0.083 0.000 0.975 91 G CA 0.750 45.903 45.100 0.088 0.000 0.642 91 G HN 0.545 nan 8.290 nan 0.000 0.536 92 R N -0.915 119.642 120.500 0.096 0.000 2.892 92 R HA 0.659 4.999 4.340 -0.000 0.000 0.265 92 R C 0.158 176.538 176.300 0.133 0.000 1.025 92 R CA -1.190 54.972 56.100 0.104 0.000 0.982 92 R CB 1.328 31.686 30.300 0.097 0.000 1.185 92 R HN 0.160 nan 8.270 nan 0.000 0.484 93 I N 2.442 123.086 120.570 0.124 0.000 2.581 93 I HA -0.071 4.099 4.170 -0.000 0.000 0.285 93 I C 0.858 177.067 176.117 0.153 0.000 1.129 93 I CA 0.365 61.748 61.300 0.138 0.000 1.397 93 I CB 0.238 38.305 38.000 0.113 0.000 1.399 93 I HN 0.607 nan 8.210 nan 0.000 0.537 94 F N 6.878 126.850 119.950 0.036 0.000 2.188 94 F HA 0.428 4.955 4.527 -0.000 0.000 0.289 94 F C 0.997 176.808 175.800 0.018 0.000 1.082 94 F CA 0.688 58.703 58.000 0.026 0.000 1.282 94 F CB 0.327 39.342 39.000 0.025 0.000 1.060 94 F HN 0.464 nan 8.300 nan 0.000 0.493 95 A N -0.188 122.681 122.820 0.081 0.000 2.608 95 A HA 0.595 4.915 4.320 -0.000 0.000 0.292 95 A C -1.664 175.965 177.584 0.075 0.000 1.066 95 A CA -0.561 51.455 52.037 -0.035 0.000 0.676 95 A CB 0.488 19.442 19.000 -0.076 0.000 1.277 95 A HN 0.111 nan 8.150 nan 0.000 0.413 96 I N 1.560 122.147 120.570 0.028 0.000 2.411 96 I HA 0.643 4.813 4.170 -0.000 0.000 0.284 96 I C 0.723 176.871 176.117 0.051 0.000 1.012 96 I CA 0.400 61.744 61.300 0.073 0.000 1.119 96 I CB 1.703 39.748 38.000 0.076 0.000 1.261 96 I HN 1.084 nan 8.210 nan 0.000 0.448 97 G N 5.345 114.189 108.800 0.074 0.000 2.725 97 G HA2 0.220 4.180 3.960 -0.000 0.000 0.098 97 G HA3 0.220 4.180 3.960 -0.000 0.000 0.098 97 G C -1.490 173.444 174.900 0.056 0.000 1.188 97 G CA -0.379 44.753 45.100 0.053 0.000 1.237 97 G HN 0.282 nan 8.290 nan 0.000 0.596 98 K N 1.145 121.574 120.400 0.048 0.000 2.450 98 K HA 0.718 5.038 4.320 -0.000 0.000 0.257 98 K C -0.356 176.276 176.600 0.054 0.000 0.953 98 K CA -0.283 56.028 56.287 0.040 0.000 0.844 98 K CB 1.161 33.669 32.500 0.015 0.000 1.103 98 K HN 0.769 nan 8.250 nan 0.000 0.429 99 A N 2.415 125.270 122.820 0.059 0.000 2.279 99 A HA 0.854 5.174 4.320 -0.000 0.000 0.303 99 A C 0.364 177.978 177.584 0.050 0.000 1.108 99 A CA 0.427 52.500 52.037 0.061 0.000 0.830 99 A CB 0.827 19.866 19.000 0.065 0.000 1.106 99 A HN 0.904 nan 8.150 nan 0.000 0.493 100 G N 0.165 108.992 108.800 0.045 0.000 2.356 100 G HA2 0.285 4.245 3.960 -0.000 0.000 0.266 100 G HA3 0.285 4.245 3.960 -0.000 0.000 0.266 100 G C -1.506 173.413 174.900 0.033 0.000 1.312 100 G CA -0.233 44.891 45.100 0.041 0.000 0.922 100 G HN 1.113 nan 8.290 nan 0.000 0.480 101 N N 0.817 119.535 118.700 0.031 0.000 2.443 101 N HA 0.622 5.362 4.740 -0.000 0.000 0.269 101 N C -1.766 173.758 175.510 0.024 0.000 0.985 101 N CA -2.299 50.766 53.050 0.025 0.000 0.921 101 N CB 2.541 41.043 38.487 0.025 0.000 1.195 101 N HN 0.024 nan 8.380 nan 0.000 0.492 102 P HA -0.008 nan 4.420 nan 0.000 0.225 102 P C 0.202 177.513 177.300 0.018 0.000 1.148 102 P CA 0.755 63.868 63.100 0.021 0.000 0.779 102 P CB 0.453 32.167 31.700 0.023 0.000 0.780 103 D N -0.695 119.715 120.400 0.017 0.000 2.178 103 D HA -0.086 4.554 4.640 -0.000 0.000 0.202 103 D C 1.661 177.970 176.300 0.016 0.000 0.974 103 D CA 1.188 55.198 54.000 0.015 0.000 0.841 103 D CB -0.089 40.720 40.800 0.014 0.000 0.953 103 D HN 0.349 nan 8.370 nan 0.000 0.478 104 I N -3.714 116.867 120.570 0.018 0.000 4.526 104 I HA 0.240 4.410 4.170 -0.000 0.000 0.330 104 I C 0.095 176.223 176.117 0.019 0.000 1.323 104 I CA -0.402 60.909 61.300 0.018 0.000 1.218 104 I CB 0.410 38.422 38.000 0.019 0.000 1.233 104 I HN -0.319 nan 8.210 nan 0.000 0.430 105 Q N 3.191 123.003 119.800 0.020 0.000 2.301 105 Q HA 0.580 4.920 4.340 -0.000 0.000 0.267 105 Q C -2.573 173.437 176.000 0.016 0.000 1.035 105 Q CA -1.978 53.836 55.803 0.019 0.000 0.856 105 Q CB 2.099 30.850 28.738 0.022 0.000 1.337 105 Q HN 0.101 nan 8.270 nan 0.000 0.450 106 P HA 0.216 nan 4.420 nan 0.000 0.287 106 P C -1.097 176.206 177.300 0.005 0.000 1.279 106 P CA -0.382 62.723 63.100 0.008 0.000 0.867 106 P CB 0.831 32.534 31.700 0.005 0.000 1.127 107 N N -1.832 116.871 118.700 0.005 0.000 2.714 107 N HA -0.129 4.610 4.740 -0.000 0.000 0.250 107 N C -0.329 175.188 175.510 0.012 0.000 1.117 107 N CA 0.237 53.289 53.050 0.003 0.000 0.719 107 N CB -1.717 36.765 38.487 -0.010 0.000 1.081 107 N HN 0.154 nan 8.380 nan 0.000 0.557 108 V N 0.923 120.850 119.914 0.020 0.000 2.479 108 V HA 0.127 4.247 4.120 -0.000 0.000 0.281 108 V C 1.678 177.800 176.094 0.046 0.000 1.031 108 V CA 1.094 63.414 62.300 0.033 0.000 1.038 108 V CB 1.161 33.005 31.823 0.035 0.000 0.981 108 V HN 0.497 nan 8.190 nan 0.000 0.478 109 T N 1.507 116.097 114.554 0.060 0.000 2.975 109 T HA 0.393 4.743 4.350 -0.000 0.000 0.257 109 T C 0.278 175.072 174.700 0.157 0.000 1.003 109 T CA 0.158 62.307 62.100 0.082 0.000 0.932 109 T CB 0.107 69.005 68.868 0.050 0.000 1.087 109 T HN 0.350 nan 8.240 nan 0.000 0.512 110 I N 3.844 124.497 120.570 0.139 0.000 2.537 110 I HA 0.351 4.521 4.170 -0.000 0.000 0.276 110 I C -2.698 173.464 176.117 0.075 0.000 1.063 110 I CA -2.666 58.734 61.300 0.166 0.000 1.144 110 I CB 1.974 40.068 38.000 0.157 0.000 1.252 110 I HN -0.064 nan 8.210 nan 0.000 0.480 111 P HA 0.189 nan 4.420 nan 0.000 0.271 111 P C -0.477 176.806 177.300 -0.028 0.000 1.226 111 P CA 0.245 63.349 63.100 0.006 0.000 0.765 111 P CB 1.104 32.803 31.700 -0.001 0.000 0.835 112 I N 2.915 123.480 120.570 -0.008 0.000 2.321 112 I HA 0.498 4.668 4.170 -0.000 0.000 0.291 112 I C 1.109 177.218 176.117 -0.013 0.000 0.998 112 I CA -0.087 61.205 61.300 -0.014 0.000 1.227 112 I CB 1.683 39.690 38.000 0.012 0.000 1.368 112 I HN 0.418 nan 8.210 nan 0.000 0.466 113 G N 3.008 111.791 108.800 -0.028 0.000 3.176 113 G HA2 0.547 4.507 3.960 -0.000 0.000 0.272 113 G HA3 0.547 4.507 3.960 -0.000 0.000 0.272 113 G C 0.603 175.491 174.900 -0.021 0.000 1.349 113 G CA 0.012 45.099 45.100 -0.022 0.000 0.953 113 G HN 0.605 nan 8.290 nan 0.000 0.559 114 A N -0.752 122.057 122.820 -0.018 0.000 1.978 114 A HA 0.213 4.533 4.320 -0.000 0.000 0.220 114 A C 2.349 179.914 177.584 -0.032 0.000 1.170 114 A CA 2.560 54.587 52.037 -0.018 0.000 0.636 114 A CB -0.632 18.359 19.000 -0.015 0.000 0.810 114 A HN 1.502 nan 8.150 nan 0.000 0.448 115 A N -0.831 121.963 122.820 -0.042 0.000 2.259 115 A HA 0.337 4.657 4.320 -0.000 0.000 0.208 115 A C 0.742 178.287 177.584 -0.065 0.000 1.201 115 A CA 0.610 52.614 52.037 -0.054 0.000 0.824 115 A CB -0.510 18.456 19.000 -0.056 0.000 0.838 115 A HN 0.278 nan 8.150 nan 0.000 0.485 116 T N 0.914 115.430 114.554 -0.063 0.000 2.749 116 T HA 0.421 4.771 4.350 -0.000 0.000 0.287 116 T C -0.270 174.376 174.700 -0.090 0.000 0.970 116 T CA -0.333 61.724 62.100 -0.072 0.000 0.980 116 T CB 1.453 70.284 68.868 -0.061 0.000 0.924 116 T HN 0.461 nan 8.240 nan 0.000 0.456 117 E N 2.463 122.602 120.200 -0.101 0.000 2.283 117 E HA 0.531 4.881 4.350 -0.000 0.000 0.267 117 E C -1.178 175.332 176.600 -0.151 0.000 1.045 117 E CA -0.627 55.690 56.400 -0.138 0.000 0.884 117 E CB 0.893 30.523 29.700 -0.116 0.000 1.106 117 E HN 0.319 nan 8.360 nan 0.000 0.408 118 V N 4.469 124.241 119.914 -0.236 0.000 2.656 118 V HA 0.441 4.561 4.120 -0.000 0.000 0.307 118 V C -0.341 175.646 176.094 -0.179 0.000 1.051 118 V CA -0.672 61.500 62.300 -0.214 0.000 0.893 118 V CB 1.631 33.262 31.823 -0.320 0.000 0.999 118 V HN 0.663 nan 8.190 nan 0.000 0.426 119 I N 3.565 124.089 120.570 -0.077 0.000 2.410 119 I HA 0.577 4.747 4.170 -0.000 0.000 0.286 119 I C 0.423 176.547 176.117 0.012 0.000 1.009 119 I CA -0.651 60.629 61.300 -0.034 0.000 1.111 119 I CB 1.863 39.856 38.000 -0.011 0.000 1.262 119 I HN 0.714 nan 8.210 nan 0.000 0.443 120 A N 5.094 127.934 122.820 0.034 0.000 2.376 120 A HA 0.574 4.894 4.320 -0.000 0.000 0.298 120 A C 0.799 178.423 177.584 0.067 0.000 1.271 120 A CA -0.108 51.972 52.037 0.072 0.000 0.926 120 A CB 0.320 19.378 19.000 0.097 0.000 1.141 120 A HN 0.890 nan 8.150 nan 0.000 0.539 121 A N 2.922 125.789 122.820 0.080 0.000 2.430 121 A HA 0.268 4.588 4.320 -0.000 0.000 0.243 121 A C 0.690 178.333 177.584 0.097 0.000 1.254 121 A CA -0.243 51.847 52.037 0.087 0.000 0.914 121 A CB -0.117 18.940 19.000 0.094 0.000 0.998 121 A HN 0.814 nan 8.150 nan 0.000 0.515 122 E N 0.099 120.355 120.200 0.094 0.000 2.415 122 E HA 0.306 4.656 4.350 -0.000 0.000 0.260 122 E C 0.818 177.462 176.600 0.074 0.000 1.016 122 E CA 0.522 56.978 56.400 0.093 0.000 0.924 122 E CB 0.153 29.898 29.700 0.074 0.000 0.961 122 E HN 0.907 nan 8.360 nan 0.000 0.459 123 G N 2.855 111.706 108.800 0.086 0.000 2.176 123 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.253 123 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.253 123 G C -0.043 174.914 174.900 0.096 0.000 0.979 123 G CA 0.207 45.354 45.100 0.078 0.000 0.641 123 G HN 0.475 nan 8.290 nan 0.000 0.530 124 K N -0.114 120.353 120.400 0.111 0.000 2.281 124 K HA 0.742 5.062 4.320 -0.000 0.000 0.242 124 K C -0.075 176.620 176.600 0.160 0.000 0.971 124 K CA -0.878 55.496 56.287 0.146 0.000 0.834 124 K CB 2.087 34.671 32.500 0.140 0.000 1.181 124 K HN 0.203 nan 8.250 nan 0.000 0.435 125 I N 1.589 122.296 120.570 0.229 0.000 2.377 125 I HA 0.240 4.410 4.170 -0.000 0.000 0.293 125 I C -0.435 175.910 176.117 0.380 0.000 0.987 125 I CA -1.040 60.403 61.300 0.239 0.000 1.185 125 I CB 1.733 39.849 38.000 0.194 0.000 1.341 125 I HN 0.013 nan 8.210 nan 0.000 0.455 126 V N 4.964 125.050 119.914 0.287 0.000 2.495 126 V HA 0.596 4.716 4.120 -0.000 0.000 0.298 126 V C 0.131 176.414 176.094 0.315 0.000 1.031 126 V CA -0.366 62.107 62.300 0.289 0.000 0.871 126 V CB 1.929 33.863 31.823 0.185 0.000 0.988 126 V HN 0.898 nan 8.190 nan 0.000 0.432 127 T N 1.586 116.376 114.554 0.394 0.000 2.887 127 T HA 0.866 5.216 4.350 -0.000 0.000 0.292 127 T C -0.112 174.771 174.700 0.306 0.000 1.087 127 T CA -0.323 62.005 62.100 0.379 0.000 1.009 127 T CB 1.933 71.148 68.868 0.577 0.000 1.203 127 T HN 0.999 nan 8.240 nan 0.000 0.518 128 A N 0.385 123.367 122.820 0.271 0.000 2.346 128 A HA 0.698 5.018 4.320 -0.000 0.000 0.252 128 A C 0.952 178.694 177.584 0.264 0.000 1.089 128 A CA -0.134 52.044 52.037 0.235 0.000 0.797 128 A CB -0.651 18.478 19.000 0.215 0.000 1.047 128 A HN 1.385 nan 8.150 nan 0.000 0.494 129 G N -0.461 108.468 108.800 0.214 0.000 2.467 129 G HA2 0.483 4.443 3.960 -0.000 0.000 0.257 129 G HA3 0.483 4.443 3.960 -0.000 0.000 0.257 129 G C 0.498 175.557 174.900 0.264 0.000 1.227 129 G CA 0.184 45.413 45.100 0.216 0.000 0.835 129 G HN 1.121 nan 8.290 nan 0.000 0.556 130 G N -0.623 108.366 108.800 0.314 0.000 2.606 130 G HA2 0.473 4.433 3.960 -0.000 0.000 0.252 130 G HA3 0.473 4.433 3.960 -0.000 0.000 0.252 130 G C -0.330 174.715 174.900 0.241 0.000 1.206 130 G CA -0.577 44.752 45.100 0.381 0.000 0.861 130 G HN 0.633 nan 8.290 nan 0.000 0.561 131 I N 0.905 121.613 120.570 0.230 0.000 2.468 131 I HA 0.175 4.345 4.170 -0.000 0.000 0.284 131 I C -1.291 174.898 176.117 0.121 0.000 1.038 131 I CA -0.703 60.687 61.300 0.150 0.000 1.083 131 I CB 2.086 40.158 38.000 0.121 0.000 1.223 131 I HN 0.301 nan 8.210 nan 0.000 0.443 132 D N 4.576 125.022 120.400 0.077 0.000 2.329 132 D HA 0.220 4.860 4.640 -0.000 0.000 0.232 132 D C 0.834 177.139 176.300 0.007 0.000 1.088 132 D CA -0.184 53.838 54.000 0.036 0.000 0.835 132 D CB 1.538 42.332 40.800 -0.011 0.000 1.078 132 D HN 0.611 nan 8.370 nan 0.000 0.495 133 T N 0.231 114.804 114.554 0.031 0.000 3.186 133 T HA 0.126 4.476 4.350 -0.000 0.000 0.257 133 T C 0.566 175.266 174.700 -0.000 0.000 1.029 133 T CA -0.146 61.948 62.100 -0.010 0.000 0.916 133 T CB -0.457 68.442 68.868 0.051 0.000 1.041 133 T HN 0.495 nan 8.240 nan 0.000 0.562 134 H N 0.707 119.654 119.070 -0.205 0.000 2.535 134 H HA 0.443 4.999 4.556 -0.000 0.000 0.232 134 H C -0.827 174.324 175.328 -0.296 0.000 1.405 134 H CA -0.952 54.849 56.048 -0.411 0.000 1.224 134 H CB -0.046 29.316 29.762 -0.667 0.000 1.763 134 H HN 0.189 nan 8.280 nan 0.000 0.529 135 I N 2.198 122.671 120.570 -0.161 0.000 2.353 135 I HA 0.123 4.293 4.170 -0.000 0.000 0.293 135 I C 0.285 176.165 176.117 -0.395 0.000 0.992 135 I CA -0.265 60.810 61.300 -0.375 0.000 1.268 135 I CB 1.051 38.573 38.000 -0.796 0.000 1.387 135 I HN 0.547 nan 8.210 nan 0.000 0.478 136 H N 5.607 124.500 119.070 -0.294 0.000 2.597 136 H HA 0.127 4.683 4.556 -0.000 0.000 0.303 136 H C -0.745 174.490 175.328 -0.156 0.000 1.057 136 H CA -0.339 55.631 56.048 -0.130 0.000 1.261 136 H CB 0.631 30.381 29.762 -0.021 0.000 1.397 136 H HN 0.560 nan 8.280 nan 0.000 0.461 137 W N 5.441 126.813 121.300 0.120 0.000 1.564 137 W HA 0.126 4.786 4.660 -0.000 0.000 0.480 137 W C 1.008 177.570 176.519 0.071 0.000 0.699 137 W CA -0.300 57.093 57.345 0.079 0.000 1.985 137 W CB -0.309 29.178 29.460 0.045 0.000 1.738 137 W HN 0.636 nan 8.180 nan 0.000 0.218 138 I N 1.200 121.929 120.570 0.266 0.000 2.584 138 I HA -0.073 4.097 4.170 -0.000 0.000 0.255 138 I C 1.089 177.313 176.117 0.178 0.000 1.145 138 I CA 0.613 62.029 61.300 0.195 0.000 1.462 138 I CB -0.139 37.974 38.000 0.188 0.000 1.102 138 I HN 0.239 nan 8.210 nan 0.000 0.433 139 C N -2.199 117.226 119.300 0.208 0.000 3.171 139 C HA 0.379 4.839 4.460 -0.000 0.000 0.336 139 C C -1.995 173.126 174.990 0.219 0.000 1.198 139 C CA -1.327 57.793 59.018 0.170 0.000 1.319 139 C CB 1.267 29.077 27.740 0.116 0.000 1.682 139 C HN -0.049 nan 8.230 nan 0.000 0.497 140 P HA -0.055 nan 4.420 nan 0.000 0.225 140 P C 1.048 178.436 177.300 0.148 0.000 1.156 140 P CA 1.478 64.668 63.100 0.148 0.000 0.787 140 P CB 0.235 31.970 31.700 0.059 0.000 0.802 141 Q N 0.176 120.044 119.800 0.114 0.000 2.291 141 Q HA -0.124 4.216 4.340 -0.000 0.000 0.206 141 Q C 2.362 178.419 176.000 0.095 0.000 0.976 141 Q CA 1.259 57.113 55.803 0.086 0.000 0.875 141 Q CB -0.835 27.938 28.738 0.059 0.000 0.927 141 Q HN 0.438 nan 8.270 nan 0.000 0.450 142 Q N -0.474 119.405 119.800 0.131 0.000 2.181 142 Q HA -0.155 4.185 4.340 -0.000 0.000 0.205 142 Q C 1.992 178.066 176.000 0.123 0.000 0.980 142 Q CA 1.225 57.091 55.803 0.104 0.000 0.862 142 Q CB -0.214 28.580 28.738 0.094 0.000 0.905 142 Q HN 0.493 nan 8.270 nan 0.000 0.429 143 A N 1.154 124.100 122.820 0.210 0.000 1.902 143 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 143 A C 1.900 179.546 177.584 0.103 0.000 1.181 143 A CA 1.663 53.819 52.037 0.200 0.000 0.623 143 A CB -0.485 18.650 19.000 0.225 0.000 0.818 143 A HN 0.435 nan 8.150 nan 0.000 0.443 144 E N -0.640 119.606 120.200 0.076 0.000 2.072 144 E HA -0.231 4.119 4.350 -0.000 0.000 0.191 144 E C 1.953 178.559 176.600 0.010 0.000 0.985 144 E CA 1.306 57.730 56.400 0.041 0.000 0.801 144 E CB -0.095 29.630 29.700 0.041 0.000 0.750 144 E HN 0.580 nan 8.360 nan 0.000 0.452 145 E N 0.307 120.516 120.200 0.014 0.000 2.051 145 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 145 E C 1.739 178.320 176.600 -0.031 0.000 0.991 145 E CA 1.528 57.919 56.400 -0.015 0.000 0.799 145 E CB -0.266 29.429 29.700 -0.007 0.000 0.748 145 E HN 0.358 nan 8.360 nan 0.000 0.449 146 A N 0.113 122.929 122.820 -0.006 0.000 1.898 146 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 146 A C 2.166 179.745 177.584 -0.009 0.000 1.181 146 A CA 1.330 53.363 52.037 -0.008 0.000 0.620 146 A CB -0.728 18.279 19.000 0.013 0.000 0.819 146 A HN 0.354 nan 8.150 nan 0.000 0.442 147 L N -0.028 121.196 121.223 0.001 0.000 2.017 147 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 147 L C 2.370 179.194 176.870 -0.077 0.000 1.073 147 L CA 1.852 56.687 54.840 -0.009 0.000 0.745 147 L CB -0.474 41.593 42.059 0.012 0.000 0.894 147 L HN 0.150 nan 8.230 nan 0.000 0.432 148 V N -0.331 119.501 119.914 -0.137 0.000 2.490 148 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 148 V C 2.652 178.561 176.094 -0.308 0.000 1.061 148 V CA 1.700 63.798 62.300 -0.336 0.000 1.064 148 V CB -0.863 30.681 31.823 -0.465 0.000 0.670 148 V HN 0.774 nan 8.190 nan 0.000 0.461 149 S N -0.381 115.234 115.700 -0.143 0.000 2.522 149 S HA 0.214 4.684 4.470 -0.000 0.000 0.227 149 S C 1.562 176.188 174.600 0.044 0.000 0.986 149 S CA 0.917 59.095 58.200 -0.038 0.000 0.929 149 S CB 0.581 63.771 63.200 -0.017 0.000 0.769 149 S HN 1.167 nan 8.310 nan 0.000 0.529 150 G N -0.221 108.566 108.800 -0.022 0.000 2.159 150 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.170 150 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.170 150 G C -0.183 174.778 174.900 0.102 0.000 1.007 150 G CA -0.182 44.931 45.100 0.022 0.000 0.672 150 G HN 0.591 nan 8.290 nan 0.000 0.507 151 V N 1.995 121.949 119.914 0.066 0.000 2.370 151 V HA 0.582 4.701 4.120 -0.000 0.000 0.279 151 V C 1.398 177.547 176.094 0.092 0.000 1.029 151 V CA 0.721 63.077 62.300 0.094 0.000 0.870 151 V CB 1.406 33.263 31.823 0.058 0.000 0.984 151 V HN 0.596 nan 8.190 nan 0.000 0.451 152 T N -0.295 114.332 114.554 0.121 0.000 3.010 152 T HA 0.162 4.512 4.350 -0.000 0.000 0.257 152 T C 0.590 175.379 174.700 0.148 0.000 1.020 152 T CA -0.044 62.127 62.100 0.119 0.000 0.938 152 T CB 0.295 69.231 68.868 0.113 0.000 1.049 152 T HN 0.531 nan 8.240 nan 0.000 0.522 153 T N 2.423 117.076 114.554 0.165 0.000 2.881 153 T HA 0.678 5.028 4.350 -0.000 0.000 0.290 153 T C -1.010 173.795 174.700 0.175 0.000 1.000 153 T CA -0.558 61.665 62.100 0.205 0.000 0.978 153 T CB 1.724 70.725 68.868 0.222 0.000 0.997 153 T HN 0.191 nan 8.240 nan 0.000 0.443 154 M N 3.179 122.913 119.600 0.224 0.000 2.197 154 M HA 0.541 5.021 4.480 -0.000 0.000 0.301 154 M C -1.159 175.278 176.300 0.228 0.000 0.987 154 M CA -0.863 54.542 55.300 0.176 0.000 0.921 154 M CB 2.230 34.955 32.600 0.208 0.000 1.569 154 M HN 0.237 nan 8.290 nan 0.000 0.431 155 V N 2.472 122.428 119.914 0.070 0.000 2.495 155 V HA 1.006 5.126 4.120 -0.000 0.000 0.298 155 V C 0.235 176.312 176.094 -0.030 0.000 1.031 155 V CA -0.209 62.121 62.300 0.049 0.000 0.871 155 V CB 1.617 33.355 31.823 -0.140 0.000 0.988 155 V HN 1.075 nan 8.190 nan 0.000 0.432 156 G N 2.855 111.695 108.800 0.066 0.000 2.348 156 G HA2 0.682 4.642 3.960 -0.000 0.000 0.296 156 G HA3 0.682 4.642 3.960 -0.000 0.000 0.296 156 G C -0.649 174.337 174.900 0.144 0.000 1.258 156 G CA 0.117 45.188 45.100 -0.048 0.000 0.868 156 G HN 1.116 nan 8.290 nan 0.000 0.488 157 G N -2.024 106.826 108.800 0.083 0.000 2.704 157 G HA2 0.986 4.946 3.960 -0.000 0.000 0.293 157 G HA3 0.986 4.946 3.960 -0.000 0.000 0.293 157 G C -0.266 174.792 174.900 0.263 0.000 1.421 157 G CA 0.356 45.611 45.100 0.258 0.000 0.870 157 G HN 2.214 nan 8.290 nan 0.000 0.492 158 G N -1.628 107.339 108.800 0.279 0.000 2.336 158 G HA2 0.536 4.496 3.960 -0.000 0.000 0.300 158 G HA3 0.536 4.496 3.960 -0.000 0.000 0.300 158 G C 0.110 175.074 174.900 0.107 0.000 1.375 158 G CA 0.956 46.176 45.100 0.200 0.000 0.885 158 G HN 1.725 nan 8.290 nan 0.000 0.599 159 T N -3.050 111.504 114.554 -0.001 0.000 3.130 159 T HA 0.637 4.987 4.350 -0.000 0.000 0.288 159 T C 1.222 175.913 174.700 -0.016 0.000 0.936 159 T CA 1.232 63.273 62.100 -0.098 0.000 0.897 159 T CB 0.505 69.068 68.868 -0.509 0.000 1.178 159 T HN 2.716 nan 8.240 nan 0.000 0.543 160 G N 2.431 111.252 108.800 0.034 0.000 2.298 160 G HA2 0.165 4.125 3.960 -0.000 0.000 0.309 160 G HA3 0.165 4.125 3.960 -0.000 0.000 0.309 160 G C -2.949 171.937 174.900 -0.022 0.000 1.279 160 G CA -0.433 44.694 45.100 0.045 0.000 1.042 160 G HN 0.072 nan 8.290 nan 0.000 0.480 161 P HA 0.476 nan 4.420 nan 0.000 0.231 161 P C -0.001 177.087 177.300 -0.353 0.000 1.756 161 P CA 1.022 64.058 63.100 -0.107 0.000 0.990 161 P CB 0.054 31.826 31.700 0.120 0.000 1.973 162 A N 1.308 123.840 122.820 -0.481 0.000 2.340 162 A HA 0.645 4.965 4.320 -0.000 0.000 0.331 162 A C 1.556 178.858 177.584 -0.470 0.000 1.140 162 A CA -0.218 51.617 52.037 -0.337 0.000 0.801 162 A CB 1.223 20.125 19.000 -0.163 0.000 1.234 162 A HN 0.227 nan 8.150 nan 0.000 0.469 163 A N 1.704 124.410 122.820 -0.191 0.000 1.903 163 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 163 A C 2.198 179.738 177.584 -0.074 0.000 1.191 163 A CA 2.784 54.792 52.037 -0.048 0.000 0.638 163 A CB -1.343 17.652 19.000 -0.007 0.000 0.823 163 A HN 1.627 nan 8.150 nan 0.000 0.451 164 G N -1.560 107.213 108.800 -0.044 0.000 2.440 164 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 164 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 164 G C 1.563 176.512 174.900 0.083 0.000 1.154 164 G CA 1.698 46.827 45.100 0.049 0.000 0.767 164 G HN 0.462 nan 8.290 nan 0.000 0.552 165 T N -0.041 114.533 114.554 0.034 0.000 2.942 165 T HA -0.008 4.342 4.350 -0.000 0.000 0.265 165 T C 2.107 176.924 174.700 0.196 0.000 1.062 165 T CA 0.940 63.100 62.100 0.100 0.000 1.139 165 T CB -0.267 68.618 68.868 0.028 0.000 0.883 165 T HN 0.288 nan 8.240 nan 0.000 0.468 166 H N 1.272 120.380 119.070 0.063 0.000 2.387 166 H HA 0.088 4.644 4.556 -0.000 0.000 0.299 166 H C 2.401 177.688 175.328 -0.069 0.000 1.099 166 H CA 1.372 57.409 56.048 -0.019 0.000 1.315 166 H CB -0.440 29.294 29.762 -0.047 0.000 1.380 166 H HN 0.425 nan 8.280 nan 0.000 0.513 167 A N 0.089 122.960 122.820 0.085 0.000 1.997 167 A HA 0.084 4.404 4.320 -0.000 0.000 0.212 167 A C 1.316 178.894 177.584 -0.010 0.000 1.178 167 A CA 1.016 53.035 52.037 -0.030 0.000 0.698 167 A CB 0.042 18.929 19.000 -0.189 0.000 0.842 167 A HN 0.455 nan 8.150 nan 0.000 0.458 168 T N -2.854 111.730 114.554 0.050 0.000 2.906 168 T HA 0.459 4.809 4.350 -0.000 0.000 0.295 168 T C -0.125 174.585 174.700 0.016 0.000 1.075 168 T CA 0.214 62.312 62.100 -0.003 0.000 1.005 168 T CB 1.374 70.199 68.868 -0.072 0.000 1.136 168 T HN 0.296 nan 8.240 nan 0.000 0.498 169 T N 0.003 114.482 114.554 -0.124 0.000 3.783 169 T HA 0.459 4.809 4.350 -0.000 0.000 0.262 169 T C 0.015 174.728 174.700 0.021 0.000 1.381 169 T CA -0.682 61.291 62.100 -0.211 0.000 1.155 169 T CB -1.865 66.895 68.868 -0.181 0.000 1.256 169 T HN 0.694 nan 8.240 nan 0.000 0.807 170 C N 1.749 121.098 119.300 0.081 0.000 2.441 170 C HA 0.630 5.090 4.460 -0.000 0.000 0.318 170 C C 0.543 175.565 174.990 0.053 0.000 1.222 170 C CA -0.818 58.241 59.018 0.069 0.000 1.474 170 C CB 1.250 29.022 27.740 0.053 0.000 2.125 170 C HN 0.655 nan 8.230 nan 0.000 0.479 171 T N 4.692 119.272 114.554 0.043 0.000 2.929 171 T HA 0.323 4.673 4.350 -0.000 0.000 0.331 171 T C -2.693 172.020 174.700 0.023 0.000 1.120 171 T CA -0.747 61.380 62.100 0.045 0.000 0.973 171 T CB 0.400 69.321 68.868 0.088 0.000 1.036 171 T HN 0.433 nan 8.240 nan 0.000 0.502 172 P HA 0.405 nan 4.420 nan 0.000 0.276 172 P C 0.637 178.008 177.300 0.119 0.000 1.264 172 P CA 0.565 63.651 63.100 -0.022 0.000 0.769 172 P CB 0.351 31.988 31.700 -0.107 0.000 0.840 173 G N 5.455 114.290 108.800 0.059 0.000 2.819 173 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.682 173 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.682 173 G C -2.073 172.900 174.900 0.121 0.000 1.481 173 G CA -0.819 44.334 45.100 0.089 0.000 0.904 173 G HN 0.253 nan 8.290 nan 0.000 0.563 174 P HA -0.131 nan 4.420 nan 0.000 0.216 174 P C 1.656 179.009 177.300 0.088 0.000 1.153 174 P CA 2.160 65.304 63.100 0.075 0.000 0.858 174 P CB 0.011 31.750 31.700 0.065 0.000 0.789 175 W N -0.895 120.375 121.300 -0.051 0.000 2.353 175 W HA -0.190 4.470 4.660 -0.000 0.000 0.319 175 W C 2.325 178.769 176.519 -0.126 0.000 1.207 175 W CA 1.522 58.792 57.345 -0.125 0.000 1.291 175 W CB -1.207 28.123 29.460 -0.216 0.000 1.159 175 W HN -0.072 nan 8.180 nan 0.000 0.478 176 Y N -0.106 120.318 120.300 0.207 0.000 2.242 176 Y HA -0.229 4.321 4.550 -0.000 0.000 0.291 176 Y C 2.375 178.230 175.900 -0.074 0.000 1.137 176 Y CA 1.609 59.739 58.100 0.050 0.000 1.181 176 Y CB -0.480 38.069 38.460 0.148 0.000 0.989 176 Y HN -0.094 nan 8.280 nan 0.000 0.527 177 I N -0.970 119.665 120.570 0.109 0.000 2.179 177 I HA -0.358 3.812 4.170 -0.000 0.000 0.242 177 I C 2.348 178.428 176.117 -0.062 0.000 1.088 177 I CA 1.451 62.769 61.300 0.029 0.000 1.357 177 I CB -0.476 37.544 38.000 0.034 0.000 1.051 177 I HN 0.079 nan 8.210 nan 0.000 0.409 178 S N 0.309 115.935 115.700 -0.125 0.000 2.359 178 S HA -0.227 4.243 4.470 -0.000 0.000 0.224 178 S C 2.084 176.530 174.600 -0.256 0.000 1.035 178 S CA 1.372 59.458 58.200 -0.190 0.000 1.018 178 S CB -0.319 62.738 63.200 -0.238 0.000 0.876 178 S HN 0.266 nan 8.310 nan 0.000 0.448 179 R N 0.918 121.189 120.500 -0.381 0.000 2.081 179 R HA 0.121 4.461 4.340 -0.000 0.000 0.235 179 R C 2.268 178.440 176.300 -0.213 0.000 1.131 179 R CA 1.290 57.159 56.100 -0.384 0.000 0.960 179 R CB -0.377 29.591 30.300 -0.553 0.000 0.856 179 R HN 0.318 nan 8.270 nan 0.000 0.436 180 M N -0.324 119.187 119.600 -0.147 0.000 2.319 180 M HA -0.027 4.453 4.480 -0.000 0.000 0.265 180 M C 2.014 178.208 176.300 -0.178 0.000 1.068 180 M CA 1.218 56.425 55.300 -0.154 0.000 1.118 180 M CB -0.529 31.999 32.600 -0.119 0.000 1.395 180 M HN 0.159 nan 8.290 nan 0.000 0.435 181 L N -0.398 120.740 121.223 -0.141 0.000 2.093 181 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 181 L C 2.525 179.310 176.870 -0.142 0.000 1.085 181 L CA 1.112 55.877 54.840 -0.125 0.000 0.755 181 L CB -0.489 41.513 42.059 -0.095 0.000 0.904 181 L HN 0.380 nan 8.230 nan 0.000 0.435 182 Q N -0.310 119.398 119.800 -0.152 0.000 2.079 182 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 182 Q C 2.434 178.352 176.000 -0.136 0.000 0.974 182 Q CA 1.495 57.211 55.803 -0.146 0.000 0.840 182 Q CB -0.227 28.418 28.738 -0.155 0.000 0.898 182 Q HN 0.539 nan 8.270 nan 0.000 0.430 183 A N 1.211 123.942 122.820 -0.149 0.000 1.972 183 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 183 A C 2.308 179.797 177.584 -0.159 0.000 1.169 183 A CA 1.407 53.359 52.037 -0.142 0.000 0.635 183 A CB -0.681 18.223 19.000 -0.159 0.000 0.810 183 A HN 0.390 nan 8.150 nan 0.000 0.446 184 A N 0.121 122.823 122.820 -0.195 0.000 1.978 184 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 184 A C 1.686 179.208 177.584 -0.104 0.000 1.170 184 A CA 1.885 53.805 52.037 -0.194 0.000 0.636 184 A CB -0.592 18.294 19.000 -0.190 0.000 0.810 184 A HN 0.452 nan 8.150 nan 0.000 0.448 185 D N -0.147 120.202 120.400 -0.085 0.000 2.265 185 D HA -0.067 4.573 4.640 -0.000 0.000 0.208 185 D C 1.868 178.237 176.300 0.115 0.000 0.977 185 D CA 1.377 55.365 54.000 -0.020 0.000 0.871 185 D CB -0.127 40.584 40.800 -0.148 0.000 0.925 185 D HN 0.412 nan 8.370 nan 0.000 0.485 186 S N -0.430 115.292 115.700 0.037 0.000 2.527 186 S HA 0.090 4.560 4.470 -0.000 0.000 0.222 186 S C 0.983 175.589 174.600 0.012 0.000 0.985 186 S CA -0.008 58.215 58.200 0.038 0.000 0.921 186 S CB 0.474 63.675 63.200 0.002 0.000 0.772 186 S HN 0.187 nan 8.310 nan 0.000 0.529 187 L N 2.875 124.094 121.223 -0.007 0.000 2.307 187 L HA 0.336 4.676 4.340 -0.000 0.000 0.282 187 L C -1.841 175.046 176.870 0.028 0.000 1.051 187 L CA -2.132 52.709 54.840 0.002 0.000 0.804 187 L CB 0.926 42.965 42.059 -0.033 0.000 1.197 187 L HN -0.140 nan 8.230 nan 0.000 0.431 188 P HA 0.004 nan 4.420 nan 0.000 0.258 188 P C -0.329 177.007 177.300 0.060 0.000 1.403 188 P CA 0.323 63.448 63.100 0.042 0.000 0.826 188 P CB -0.071 31.648 31.700 0.032 0.000 1.414 189 V N -3.684 116.278 119.914 0.080 0.000 3.001 189 V HA 0.554 4.674 4.120 -0.000 0.000 0.314 189 V C -0.210 175.948 176.094 0.105 0.000 1.099 189 V CA -1.426 60.940 62.300 0.109 0.000 0.989 189 V CB 1.692 33.613 31.823 0.164 0.000 1.040 189 V HN -0.194 nan 8.190 nan 0.000 0.434 190 N N 1.635 120.411 118.700 0.127 0.000 2.518 190 N HA 0.584 5.324 4.740 -0.000 0.000 0.266 190 N C -0.748 174.897 175.510 0.226 0.000 1.196 190 N CA 0.124 53.242 53.050 0.112 0.000 0.947 190 N CB 1.283 39.889 38.487 0.199 0.000 1.098 190 N HN 0.727 nan 8.380 nan 0.000 0.450 191 I N -0.131 120.553 120.570 0.189 0.000 2.686 191 I HA 0.474 4.644 4.170 -0.000 0.000 0.295 191 I C 0.225 176.561 176.117 0.365 0.000 1.114 191 I CA -0.869 60.604 61.300 0.288 0.000 1.038 191 I CB 2.478 40.559 38.000 0.136 0.000 1.238 191 I HN 0.419 nan 8.210 nan 0.000 0.420 192 G N 5.850 114.885 108.800 0.392 0.000 2.638 192 G HA2 0.752 4.712 3.960 -0.000 0.000 0.302 192 G HA3 0.752 4.712 3.960 -0.000 0.000 0.302 192 G C -1.382 173.673 174.900 0.259 0.000 1.365 192 G CA -0.482 44.816 45.100 0.330 0.000 0.987 192 G HN 0.382 nan 8.290 nan 0.000 0.495 193 L N 1.096 122.438 121.223 0.199 0.000 2.334 193 L HA 0.607 4.947 4.340 -0.000 0.000 0.272 193 L C -0.271 176.685 176.870 0.142 0.000 1.020 193 L CA -0.926 54.029 54.840 0.192 0.000 0.812 193 L CB 2.016 44.155 42.059 0.134 0.000 1.264 193 L HN 0.202 nan 8.230 nan 0.000 0.439 194 L N 1.129 122.433 121.223 0.135 0.000 2.329 194 L HA 0.658 4.998 4.340 -0.000 0.000 0.279 194 L C 0.461 177.370 176.870 0.064 0.000 1.014 194 L CA -0.480 54.414 54.840 0.089 0.000 0.814 194 L CB 1.761 43.866 42.059 0.077 0.000 1.257 194 L HN 0.670 nan 8.230 nan 0.000 0.424 195 G N 1.056 109.874 108.800 0.031 0.000 2.531 195 G HA2 0.303 4.263 3.960 -0.000 0.000 0.313 195 G HA3 0.303 4.263 3.960 -0.000 0.000 0.313 195 G C -0.988 173.883 174.900 -0.048 0.000 1.238 195 G CA -0.586 44.512 45.100 -0.003 0.000 0.994 195 G HN 0.521 nan 8.290 nan 0.000 0.493 196 K N 0.095 120.422 120.400 -0.120 0.000 2.310 196 K HA 0.286 4.606 4.320 -0.000 0.000 0.290 196 K C 1.069 177.572 176.600 -0.161 0.000 1.077 196 K CA -0.032 56.118 56.287 -0.227 0.000 0.922 196 K CB 0.513 32.722 32.500 -0.486 0.000 1.057 196 K HN 0.453 nan 8.250 nan 0.000 0.479 197 G N 3.517 112.257 108.800 -0.099 0.000 3.042 197 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.212 197 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.212 197 G C -0.015 174.856 174.900 -0.049 0.000 1.166 197 G CA -0.296 44.767 45.100 -0.063 0.000 0.767 197 G HN 0.620 nan 8.290 nan 0.000 0.546 198 N N 0.853 119.519 118.700 -0.057 0.000 2.605 198 N HA 0.413 5.153 4.740 -0.000 0.000 0.258 198 N C -0.907 174.590 175.510 -0.022 0.000 1.156 198 N CA 0.155 53.206 53.050 0.000 0.000 1.008 198 N CB 1.256 39.805 38.487 0.103 0.000 1.354 198 N HN 0.029 nan 8.380 nan 0.000 0.509 199 V N -0.742 119.160 119.914 -0.019 0.000 3.147 199 V HA 0.334 4.454 4.120 -0.000 0.000 0.299 199 V C 0.256 176.345 176.094 -0.009 0.000 1.302 199 V CA -0.927 61.363 62.300 -0.018 0.000 1.015 199 V CB 2.107 33.908 31.823 -0.036 0.000 1.086 199 V HN 0.276 nan 8.190 nan 0.000 0.437 200 S N 0.593 116.290 115.700 -0.005 0.000 2.568 200 S HA 0.169 4.638 4.470 -0.000 0.000 0.232 200 S C 0.173 174.769 174.600 -0.007 0.000 0.975 200 S CA 0.026 58.224 58.200 -0.004 0.000 0.949 200 S CB 0.014 63.215 63.200 0.001 0.000 0.829 200 S HN 0.795 nan 8.310 nan 0.000 0.479 201 Q N 1.672 121.466 119.800 -0.010 0.000 2.381 201 Q HA 0.419 4.759 4.340 -0.000 0.000 0.263 201 Q C -2.432 173.560 176.000 -0.014 0.000 1.030 201 Q CA -2.134 53.663 55.803 -0.011 0.000 0.772 201 Q CB 1.483 30.215 28.738 -0.011 0.000 1.232 201 Q HN -0.096 nan 8.270 nan 0.000 0.476 202 P HA -0.174 nan 4.420 nan 0.000 0.216 202 P C 0.190 177.482 177.300 -0.013 0.000 1.153 202 P CA 1.303 64.395 63.100 -0.013 0.000 0.858 202 P CB 0.372 32.066 31.700 -0.011 0.000 0.789 203 D N -0.807 119.586 120.400 -0.011 0.000 2.182 203 D HA -0.123 4.517 4.640 -0.000 0.000 0.201 203 D C 1.912 178.205 176.300 -0.012 0.000 0.986 203 D CA 1.481 55.475 54.000 -0.010 0.000 0.847 203 D CB -0.595 40.201 40.800 -0.008 0.000 0.942 203 D HN 0.113 nan 8.370 nan 0.000 0.467 204 A N 0.170 122.981 122.820 -0.016 0.000 2.067 204 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 204 A C 2.292 179.861 177.584 -0.025 0.000 1.158 204 A CA 0.645 52.670 52.037 -0.021 0.000 0.661 204 A CB -0.345 18.639 19.000 -0.028 0.000 0.801 204 A HN 0.201 nan 8.150 nan 0.000 0.452 205 L N -1.708 119.501 121.223 -0.023 0.000 2.168 205 L HA -0.006 4.334 4.340 -0.000 0.000 0.203 205 L C 2.715 179.576 176.870 -0.014 0.000 1.078 205 L CA 0.597 55.422 54.840 -0.024 0.000 0.780 205 L CB -0.461 41.583 42.059 -0.025 0.000 0.939 205 L HN 0.285 nan 8.230 nan 0.000 0.451 206 R N 0.456 120.950 120.500 -0.011 0.000 2.105 206 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 206 R C 2.092 178.390 176.300 -0.002 0.000 1.135 206 R CA 1.434 57.530 56.100 -0.006 0.000 0.967 206 R CB -0.284 30.013 30.300 -0.006 0.000 0.861 206 R HN 0.445 nan 8.270 nan 0.000 0.442 207 E N 0.689 120.887 120.200 -0.003 0.000 2.085 207 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 207 E C 2.149 178.752 176.600 0.005 0.000 0.994 207 E CA 1.255 57.656 56.400 0.002 0.000 0.801 207 E CB -0.012 29.689 29.700 0.002 0.000 0.743 207 E HN 0.437 nan 8.360 nan 0.000 0.453 208 Q N 0.181 119.982 119.800 0.002 0.000 2.079 208 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 208 Q C 2.399 178.406 176.000 0.012 0.000 0.974 208 Q CA 1.263 57.070 55.803 0.007 0.000 0.840 208 Q CB 0.044 28.779 28.738 -0.004 0.000 0.898 208 Q HN 0.159 nan 8.270 nan 0.000 0.430 209 V N 0.982 120.901 119.914 0.008 0.000 2.358 209 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 209 V C 2.248 178.351 176.094 0.016 0.000 1.047 209 V CA 1.786 64.094 62.300 0.014 0.000 1.035 209 V CB -0.943 30.886 31.823 0.010 0.000 0.658 209 V HN 0.374 nan 8.190 nan 0.000 0.452 210 A N -0.108 122.718 122.820 0.010 0.000 2.070 210 A HA 0.003 4.323 4.320 -0.000 0.000 0.220 210 A C 2.301 179.890 177.584 0.009 0.000 1.159 210 A CA 1.721 53.764 52.037 0.009 0.000 0.656 210 A CB -0.518 18.486 19.000 0.006 0.000 0.800 210 A HN 0.569 nan 8.150 nan 0.000 0.453 211 A N -2.124 120.702 122.820 0.010 0.000 2.067 211 A HA 0.399 4.719 4.320 -0.000 0.000 0.217 211 A C 1.759 179.347 177.584 0.005 0.000 1.156 211 A CA 1.658 53.698 52.037 0.006 0.000 0.683 211 A CB -0.367 18.639 19.000 0.011 0.000 0.808 211 A HN 1.582 nan 8.150 nan 0.000 0.455 212 G N -1.763 107.047 108.800 0.017 0.000 2.935 212 G HA2 0.027 3.987 3.960 -0.000 0.000 0.213 212 G HA3 0.027 3.987 3.960 -0.000 0.000 0.213 212 G C 0.328 175.257 174.900 0.048 0.000 0.984 212 G CA 0.058 45.174 45.100 0.026 0.000 0.790 212 G HN 1.372 nan 8.290 nan 0.000 0.538 213 V N 1.193 121.135 119.914 0.047 0.000 2.843 213 V HA 0.572 4.692 4.120 -0.000 0.000 0.305 213 V C 1.672 177.811 176.094 0.075 0.000 1.065 213 V CA 0.250 62.588 62.300 0.064 0.000 1.116 213 V CB 1.084 32.938 31.823 0.052 0.000 0.968 213 V HN 0.824 nan 8.190 nan 0.000 0.487 214 I N 0.425 121.055 120.570 0.099 0.000 3.928 214 I HA 0.752 4.922 4.170 -0.000 0.000 0.335 214 I C 0.666 176.847 176.117 0.106 0.000 1.325 214 I CA 0.362 61.726 61.300 0.107 0.000 1.107 214 I CB -0.166 37.914 38.000 0.133 0.000 1.014 214 I HN 0.892 nan 8.210 nan 0.000 0.400 215 G N 0.870 109.724 108.800 0.090 0.000 2.506 215 G HA2 0.614 4.574 3.960 -0.000 0.000 0.292 215 G HA3 0.614 4.574 3.960 -0.000 0.000 0.292 215 G C -1.647 173.276 174.900 0.038 0.000 1.425 215 G CA -0.696 44.450 45.100 0.077 0.000 0.788 215 G HN 0.083 nan 8.290 nan 0.000 0.490 219 H N 5.629 124.783 119.070 0.141 0.000 2.538 219 H HA 0.379 4.935 4.556 -0.000 0.000 0.353 219 H C 0.679 176.015 175.328 0.013 0.000 1.109 219 H CA -0.287 55.815 56.048 0.091 0.000 1.192 219 H CB 2.338 32.197 29.762 0.161 0.000 1.555 219 H HN 0.840 nan 8.280 nan 0.000 0.518 220 E N 2.353 122.388 120.200 -0.275 0.000 2.209 220 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 220 E C 0.083 176.682 176.600 -0.002 0.000 0.993 220 E CA 1.620 57.949 56.400 -0.118 0.000 0.819 220 E CB 0.155 29.741 29.700 -0.191 0.000 0.745 220 E HN 0.476 nan 8.360 nan 0.000 0.477 221 D N 0.064 120.533 120.400 0.114 0.000 2.264 221 D HA -0.114 4.526 4.640 -0.000 0.000 0.208 221 D C 0.548 176.690 176.300 -0.263 0.000 0.966 221 D CA 0.932 54.838 54.000 -0.157 0.000 0.864 221 D CB -0.200 40.375 40.800 -0.375 0.000 0.933 221 D HN 0.498 nan 8.370 nan 0.000 0.499 222 W N 0.258 121.594 121.300 0.060 0.000 3.127 222 W HA 0.411 5.071 4.660 -0.000 0.000 0.344 222 W C 0.603 177.131 176.519 0.016 0.000 1.151 222 W CA -0.066 57.294 57.345 0.026 0.000 1.765 222 W CB 0.788 30.264 29.460 0.025 0.000 1.085 222 W HN -0.076 nan 8.180 nan 0.000 0.596 223 G N 1.321 110.229 108.800 0.180 0.000 2.780 223 G HA2 0.089 4.049 3.960 -0.000 0.000 0.364 223 G HA3 0.089 4.049 3.960 -0.000 0.000 0.364 223 G C -0.233 174.719 174.900 0.087 0.000 1.045 223 G CA -0.621 44.540 45.100 0.103 0.000 1.202 223 G HN 0.419 nan 8.290 nan 0.000 0.534 224 A N 2.310 125.160 122.820 0.050 0.000 3.118 224 A HA 0.672 4.991 4.320 -0.000 0.000 0.256 224 A C 1.259 178.862 177.584 0.031 0.000 1.667 224 A CA 0.848 52.908 52.037 0.038 0.000 1.338 224 A CB -0.517 18.491 19.000 0.014 0.000 1.127 224 A HN 2.030 nan 8.150 nan 0.000 0.634 225 T N -2.341 112.233 114.554 0.034 0.000 2.899 225 T HA 0.440 4.790 4.350 -0.000 0.000 0.284 225 T C -1.842 172.874 174.700 0.026 0.000 1.004 225 T CA -1.696 60.421 62.100 0.028 0.000 1.043 225 T CB 1.166 70.047 68.868 0.022 0.000 1.013 225 T HN 0.081 nan 8.240 nan 0.000 0.518 226 P HA -0.080 nan 4.420 nan 0.000 0.216 226 P C 1.649 178.953 177.300 0.007 0.000 1.150 226 P CA 1.533 64.642 63.100 0.015 0.000 0.843 226 P CB -0.239 31.466 31.700 0.009 0.000 0.787 227 A N -0.125 122.699 122.820 0.007 0.000 1.877 227 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 227 A C 2.322 179.908 177.584 0.004 0.000 1.186 227 A CA 2.164 54.203 52.037 0.004 0.000 0.620 227 A CB -1.609 17.394 19.000 0.005 0.000 0.822 227 A HN 0.193 nan 8.150 nan 0.000 0.443 228 A N -0.108 122.718 122.820 0.010 0.000 1.877 228 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 228 A C 2.135 179.721 177.584 0.002 0.000 1.186 228 A CA 1.486 53.529 52.037 0.010 0.000 0.620 228 A CB -0.641 18.374 19.000 0.025 0.000 0.822 228 A HN 0.490 nan 8.150 nan 0.000 0.443 229 I N -0.161 120.412 120.570 0.004 0.000 2.163 229 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 229 I C 2.351 178.460 176.117 -0.014 0.000 1.085 229 I CA 2.037 63.333 61.300 -0.006 0.000 1.347 229 I CB -0.430 37.569 38.000 -0.000 0.000 1.044 229 I HN 0.433 nan 8.210 nan 0.000 0.408 230 D N 0.125 120.519 120.400 -0.010 0.000 2.117 230 D HA -0.238 4.402 4.640 -0.000 0.000 0.197 230 D C 2.303 178.594 176.300 -0.015 0.000 0.987 230 D CA 1.328 55.320 54.000 -0.013 0.000 0.829 230 D CB -0.183 40.612 40.800 -0.010 0.000 0.961 230 D HN 0.402 nan 8.370 nan 0.000 0.460 231 C N -0.015 119.278 119.300 -0.012 0.000 2.432 231 C HA 0.066 4.526 4.460 -0.000 0.000 0.277 231 C C 2.886 177.865 174.990 -0.018 0.000 1.249 231 C CA 1.514 60.523 59.018 -0.014 0.000 1.725 231 C CB -1.476 26.257 27.740 -0.011 0.000 2.028 231 C HN 0.445 nan 8.230 nan 0.000 0.477 232 A N 0.063 122.870 122.820 -0.021 0.000 1.902 232 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 232 A C 2.174 179.739 177.584 -0.031 0.000 1.181 232 A CA 1.718 53.738 52.037 -0.028 0.000 0.623 232 A CB -0.694 18.287 19.000 -0.032 0.000 0.818 232 A HN 0.666 nan 8.150 nan 0.000 0.443 233 L N -0.782 120.422 121.223 -0.032 0.000 2.141 233 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 233 L C 2.747 179.600 176.870 -0.028 0.000 1.094 233 L CA 1.608 56.427 54.840 -0.035 0.000 0.763 233 L CB -0.706 41.332 42.059 -0.036 0.000 0.908 233 L HN 0.345 nan 8.230 nan 0.000 0.437 234 T N -0.703 113.837 114.554 -0.023 0.000 2.708 234 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 234 T C 1.973 176.662 174.700 -0.019 0.000 1.037 234 T CA 1.348 63.437 62.100 -0.019 0.000 1.146 234 T CB -0.138 68.720 68.868 -0.016 0.000 0.865 234 T HN 0.062 nan 8.240 nan 0.000 0.435 235 V N 1.639 121.541 119.914 -0.019 0.000 2.427 235 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 235 V C 2.866 178.949 176.094 -0.018 0.000 1.051 235 V CA 1.516 63.806 62.300 -0.017 0.000 1.048 235 V CB -1.172 30.641 31.823 -0.017 0.000 0.666 235 V HN 0.510 nan 8.190 nan 0.000 0.456 236 A N -0.099 122.707 122.820 -0.023 0.000 1.902 236 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 236 A C 1.989 179.557 177.584 -0.026 0.000 1.181 236 A CA 2.094 54.115 52.037 -0.027 0.000 0.623 236 A CB -0.623 18.355 19.000 -0.038 0.000 0.818 236 A HN 0.512 nan 8.150 nan 0.000 0.443 237 D N -0.304 120.081 120.400 -0.026 0.000 2.178 237 D HA -0.137 4.503 4.640 -0.000 0.000 0.201 237 D C 2.049 178.337 176.300 -0.019 0.000 0.980 237 D CA 1.560 55.546 54.000 -0.024 0.000 0.842 237 D CB -0.211 40.575 40.800 -0.023 0.000 0.948 237 D HN 0.877 nan 8.370 nan 0.000 0.472 238 E N -0.575 119.615 120.200 -0.016 0.000 2.318 238 E HA 0.015 4.365 4.350 -0.000 0.000 0.193 238 E C 1.525 178.119 176.600 -0.011 0.000 0.998 238 E CA 0.310 56.702 56.400 -0.013 0.000 0.859 238 E CB -0.055 29.638 29.700 -0.011 0.000 0.812 238 E HN 0.206 nan 8.360 nan 0.000 0.492 239 M N 0.894 120.488 119.600 -0.010 0.000 2.333 239 M HA 0.140 4.620 4.480 -0.000 0.000 0.257 239 M C -0.301 175.996 176.300 -0.004 0.000 1.078 239 M CA -0.056 55.241 55.300 -0.005 0.000 1.005 239 M CB 0.399 32.998 32.600 -0.002 0.000 1.444 239 M HN -0.105 nan 8.290 nan 0.000 0.496 240 D N 2.883 123.277 120.400 -0.011 0.000 2.705 240 D HA -0.152 4.488 4.640 -0.000 0.000 0.240 240 D C -1.021 175.274 176.300 -0.008 0.000 1.137 240 D CA 0.626 54.617 54.000 -0.014 0.000 0.677 240 D CB -0.829 39.963 40.800 -0.014 0.000 1.049 240 D HN 0.535 nan 8.370 nan 0.000 0.427 241 I N -2.636 117.927 120.570 -0.012 0.000 3.002 241 I HA 0.725 4.895 4.170 -0.000 0.000 0.310 241 I C -0.013 176.084 176.117 -0.033 0.000 1.087 241 I CA -1.173 60.124 61.300 -0.004 0.000 1.017 241 I CB 1.513 39.521 38.000 0.013 0.000 1.226 241 I HN -0.124 nan 8.210 nan 0.000 0.443 242 Q N 1.555 121.332 119.800 -0.039 0.000 2.214 242 Q HA 0.737 5.077 4.340 -0.000 0.000 0.251 242 Q C -1.464 174.487 176.000 -0.081 0.000 0.936 242 Q CA -0.632 55.104 55.803 -0.112 0.000 0.894 242 Q CB 1.939 30.500 28.738 -0.296 0.000 1.252 242 Q HN 0.648 nan 8.270 nan 0.000 0.448 243 V N 2.035 121.879 119.914 -0.118 0.000 2.495 243 V HA 0.870 4.990 4.120 -0.000 0.000 0.298 243 V C -0.714 175.250 176.094 -0.216 0.000 1.031 243 V CA -0.667 61.556 62.300 -0.128 0.000 0.871 243 V CB 1.453 33.212 31.823 -0.107 0.000 0.988 243 V HN 0.862 nan 8.190 nan 0.000 0.432 244 A N 4.826 127.443 122.820 -0.339 0.000 2.330 244 A HA 0.909 5.229 4.320 -0.000 0.000 0.327 244 A C -1.198 176.004 177.584 -0.637 0.000 1.155 244 A CA -0.508 51.073 52.037 -0.759 0.000 0.803 244 A CB 1.342 19.570 19.000 -1.285 0.000 1.208 244 A HN 0.827 nan 8.150 nan 0.000 0.477 245 L N 1.826 122.676 121.223 -0.621 0.000 2.365 245 L HA 0.577 4.917 4.340 -0.000 0.000 0.273 245 L C -0.597 176.163 176.870 -0.182 0.000 1.000 245 L CA -0.183 54.477 54.840 -0.300 0.000 0.819 245 L CB 1.732 43.694 42.059 -0.163 0.000 1.284 245 L HN 0.812 nan 8.230 nan 0.000 0.418 246 H N 3.235 122.221 119.070 -0.140 0.000 2.792 246 H HA 0.547 5.103 4.556 -0.000 0.000 0.298 246 H C -0.306 174.972 175.328 -0.084 0.000 1.042 246 H CA -0.370 55.658 56.048 -0.033 0.000 1.300 246 H CB 0.924 30.624 29.762 -0.103 0.000 1.431 246 H HN 0.850 nan 8.280 nan 0.000 0.496 247 S N 2.640 118.446 115.700 0.177 0.000 2.626 247 S HA -0.058 4.412 4.470 -0.000 0.000 0.257 247 S C 0.440 175.016 174.600 -0.040 0.000 1.288 247 S CA -0.794 57.441 58.200 0.057 0.000 0.980 247 S CB 0.891 64.138 63.200 0.078 0.000 0.975 247 S HN 0.752 nan 8.310 nan 0.000 0.577 248 D N 0.403 120.622 120.400 -0.301 0.000 2.398 248 D HA 0.190 4.830 4.640 -0.000 0.000 0.250 248 D C 0.994 177.033 176.300 -0.436 0.000 1.287 248 D CA 0.069 53.869 54.000 -0.333 0.000 0.992 248 D CB -0.109 40.532 40.800 -0.264 0.000 1.071 248 D HN 0.542 nan 8.370 nan 0.000 0.514 249 T N 3.578 118.064 114.554 -0.114 0.000 2.788 249 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 249 T C 1.938 176.698 174.700 0.100 0.000 1.044 249 T CA 0.723 62.837 62.100 0.023 0.000 1.139 249 T CB 0.005 68.982 68.868 0.182 0.000 0.867 249 T HN 0.436 nan 8.240 nan 0.000 0.454 250 L N 0.931 122.200 121.223 0.075 0.000 2.456 250 L HA 0.034 4.374 4.340 -0.000 0.000 0.224 250 L C 0.670 177.597 176.870 0.096 0.000 1.148 250 L CA 0.206 55.099 54.840 0.088 0.000 0.825 250 L CB -0.747 41.316 42.059 0.006 0.000 0.937 250 L HN 0.273 nan 8.230 nan 0.000 0.450 251 N N 0.223 118.981 118.700 0.096 0.000 2.714 251 N HA -0.268 4.472 4.740 -0.000 0.000 0.250 251 N C 1.142 176.639 175.510 -0.021 0.000 1.117 251 N CA 1.278 54.418 53.050 0.151 0.000 0.719 251 N CB -0.992 37.678 38.487 0.306 0.000 1.081 251 N HN 0.593 nan 8.380 nan 0.000 0.557 252 E N 0.565 120.756 120.200 -0.015 0.000 2.051 252 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 252 E C 1.545 178.109 176.600 -0.059 0.000 0.991 252 E CA 1.786 58.162 56.400 -0.040 0.000 0.799 252 E CB 0.092 29.775 29.700 -0.029 0.000 0.748 252 E HN 0.524 nan 8.360 nan 0.000 0.449 253 S N -1.084 114.595 115.700 -0.036 0.000 2.524 253 S HA 0.354 4.824 4.470 -0.000 0.000 0.216 253 S C 0.634 175.197 174.600 -0.063 0.000 0.987 253 S CA 0.107 58.286 58.200 -0.034 0.000 0.909 253 S CB 1.109 64.310 63.200 0.000 0.000 0.781 253 S HN 0.440 nan 8.310 nan 0.000 0.521 254 G N -0.171 108.571 108.800 -0.096 0.000 2.324 254 G HA2 0.396 4.356 3.960 -0.000 0.000 0.293 254 G HA3 0.396 4.356 3.960 -0.000 0.000 0.293 254 G C -1.143 173.660 174.900 -0.162 0.000 1.297 254 G CA -1.139 43.840 45.100 -0.203 0.000 0.853 254 G HN 0.171 nan 8.290 nan 0.000 0.535 255 F N -1.108 118.836 119.950 -0.009 0.000 2.321 255 F HA 0.512 5.039 4.527 -0.000 0.000 0.318 255 F C 1.877 177.288 175.800 -0.648 0.000 1.129 255 F CA -0.082 57.823 58.000 -0.158 0.000 1.074 255 F CB 1.344 40.297 39.000 -0.079 0.000 1.432 255 F HN 0.304 nan 8.300 nan 0.000 0.502 256 V N 1.463 121.037 119.914 -0.567 0.000 2.324 256 V HA -0.249 3.871 4.120 -0.000 0.000 0.250 256 V C 2.250 178.189 176.094 -0.259 0.000 1.060 256 V CA 2.478 64.395 62.300 -0.639 0.000 1.042 256 V CB -0.610 31.077 31.823 -0.227 0.000 0.650 256 V HN 0.829 nan 8.190 nan 0.000 0.450 257 E N -1.001 119.138 120.200 -0.102 0.000 2.204 257 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 257 E C 1.673 178.247 176.600 -0.042 0.000 0.990 257 E CA 1.726 58.101 56.400 -0.041 0.000 0.821 257 E CB -0.654 29.056 29.700 0.017 0.000 0.750 257 E HN 0.678 nan 8.360 nan 0.000 0.477 258 D N 0.896 121.270 120.400 -0.043 0.000 2.123 258 D HA -0.065 4.575 4.640 -0.000 0.000 0.200 258 D C 1.781 178.064 176.300 -0.028 0.000 0.976 258 D CA 1.629 55.614 54.000 -0.026 0.000 0.831 258 D CB -0.063 40.723 40.800 -0.022 0.000 0.974 258 D HN 0.198 nan 8.370 nan 0.000 0.469 259 T N 1.623 116.153 114.554 -0.040 0.000 2.708 259 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 259 T C 2.280 176.958 174.700 -0.036 0.000 1.037 259 T CA 0.516 62.627 62.100 0.018 0.000 1.146 259 T CB -0.244 68.704 68.868 0.133 0.000 0.865 259 T HN 0.081 nan 8.240 nan 0.000 0.435 260 L N 0.712 121.881 121.223 -0.089 0.000 2.079 260 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 260 L C 2.973 179.783 176.870 -0.100 0.000 1.081 260 L CA 1.261 56.014 54.840 -0.145 0.000 0.752 260 L CB -0.602 41.318 42.059 -0.231 0.000 0.896 260 L HN 0.243 nan 8.230 nan 0.000 0.433 261 A N -0.169 122.615 122.820 -0.061 0.000 1.930 261 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 261 A C 2.519 180.086 177.584 -0.028 0.000 1.175 261 A CA 1.600 53.616 52.037 -0.034 0.000 0.627 261 A CB -0.634 18.356 19.000 -0.017 0.000 0.815 261 A HN 0.401 nan 8.150 nan 0.000 0.443 262 A N -0.015 122.790 122.820 -0.025 0.000 1.930 262 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 262 A C 2.066 179.635 177.584 -0.025 0.000 1.175 262 A CA 1.422 53.449 52.037 -0.017 0.000 0.627 262 A CB -0.590 18.407 19.000 -0.006 0.000 0.815 262 A HN 0.499 nan 8.150 nan 0.000 0.443 263 I N -0.414 120.132 120.570 -0.039 0.000 2.286 263 I HA -0.120 4.050 4.170 -0.000 0.000 0.248 263 I C 1.791 177.883 176.117 -0.042 0.000 1.115 263 I CA 0.936 62.207 61.300 -0.047 0.000 1.392 263 I CB -0.681 37.277 38.000 -0.071 0.000 1.065 263 I HN 0.478 nan 8.210 nan 0.000 0.418 264 G N 1.075 109.851 108.800 -0.040 0.000 2.356 264 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.296 264 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.296 264 G C 0.993 175.880 174.900 -0.022 0.000 1.022 264 G CA 0.464 45.548 45.100 -0.027 0.000 0.961 264 G HN 0.938 nan 8.290 nan 0.000 0.510 265 G N -1.768 107.016 108.800 -0.026 0.000 2.184 265 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.264 265 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.264 265 G C 0.561 175.449 174.900 -0.020 0.000 0.975 265 G CA 1.028 46.120 45.100 -0.013 0.000 0.642 265 G HN 1.031 nan 8.290 nan 0.000 0.536 266 R N 0.603 121.084 120.500 -0.031 0.000 2.490 266 R HA 0.485 4.825 4.340 -0.000 0.000 0.278 266 R C 0.428 176.702 176.300 -0.044 0.000 1.069 266 R CA -0.021 56.058 56.100 -0.035 0.000 1.080 266 R CB 0.472 30.751 30.300 -0.036 0.000 1.030 266 R HN 0.147 nan 8.270 nan 0.000 0.491 267 T N 3.045 117.571 114.554 -0.047 0.000 2.902 267 T HA 0.197 4.547 4.350 -0.000 0.000 0.301 267 T C 0.140 174.797 174.700 -0.072 0.000 1.012 267 T CA 0.449 62.514 62.100 -0.059 0.000 1.151 267 T CB 0.037 68.866 68.868 -0.065 0.000 0.946 267 T HN 0.386 nan 8.240 nan 0.000 0.542 268 I N 1.806 122.331 120.570 -0.075 0.000 2.787 268 I HA 0.236 4.405 4.170 -0.000 0.000 0.294 268 I C -0.818 175.268 176.117 -0.052 0.000 1.365 268 I CA -0.864 60.387 61.300 -0.082 0.000 1.029 268 I CB 2.122 40.071 38.000 -0.086 0.000 1.313 268 I HN 0.740 nan 8.210 nan 0.000 0.431 269 H N 5.629 124.572 119.070 -0.211 0.000 2.640 269 H HA 0.398 4.954 4.556 -0.000 0.000 0.297 269 H C -0.764 174.420 175.328 -0.239 0.000 1.073 269 H CA -0.560 55.369 56.048 -0.199 0.000 1.305 269 H CB 0.912 30.549 29.762 -0.208 0.000 1.404 269 H HN 0.598 nan 8.280 nan 0.000 0.459 270 T N 3.505 118.093 114.554 0.057 0.000 2.743 270 T HA 0.187 4.537 4.350 -0.000 0.000 0.293 270 T C -0.066 174.608 174.700 -0.044 0.000 0.945 270 T CA -0.791 61.252 62.100 -0.095 0.000 1.030 270 T CB 0.241 69.064 68.868 -0.076 0.000 0.912 270 T HN 0.199 nan 8.240 nan 0.000 0.483 271 F N 3.860 123.542 119.950 -0.447 0.000 2.418 271 F HA 0.243 4.770 4.527 -0.000 0.000 0.341 271 F C 1.488 176.826 175.800 -0.769 0.000 1.120 271 F CA -0.948 56.675 58.000 -0.629 0.000 1.232 271 F CB -0.168 38.331 39.000 -0.835 0.000 1.175 271 F HN 0.958 nan 8.300 nan 0.000 0.569 272 H N -0.747 118.448 119.070 0.208 0.000 2.166 272 H HA -0.204 4.352 4.556 -0.000 0.000 0.323 272 H C 0.721 176.087 175.328 0.062 0.000 0.936 272 H CA 0.441 56.559 56.048 0.116 0.000 1.073 272 H CB -2.443 27.362 29.762 0.071 0.000 1.592 272 H HN 0.526 nan 8.280 nan 0.000 0.346 273 T N -0.785 113.809 114.554 0.066 0.000 2.946 273 T HA -0.220 4.130 4.350 -0.000 0.000 0.271 273 T C 1.743 176.562 174.700 0.199 0.000 1.104 273 T CA 1.266 63.362 62.100 -0.007 0.000 1.114 273 T CB 0.049 68.662 68.868 -0.426 0.000 0.867 273 T HN 0.707 nan 8.240 nan 0.000 0.513 274 E N 0.787 121.189 120.200 0.336 0.000 2.152 274 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 274 E C 1.911 178.577 176.600 0.110 0.000 0.983 274 E CA 1.214 57.775 56.400 0.268 0.000 0.818 274 E CB -0.225 29.608 29.700 0.222 0.000 0.758 274 E HN 0.575 nan 8.360 nan 0.000 0.467 275 G N 0.044 108.901 108.800 0.095 0.000 2.436 275 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.204 275 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.204 275 G C 1.427 176.258 174.900 -0.114 0.000 1.026 275 G CA 0.595 45.689 45.100 -0.011 0.000 0.658 275 G HN 0.554 nan 8.290 nan 0.000 0.499 276 A N 0.849 123.614 122.820 -0.091 0.000 1.948 276 A HA 0.247 4.567 4.320 -0.000 0.000 0.220 276 A C 2.632 180.124 177.584 -0.154 0.000 1.177 276 A CA 2.607 54.586 52.037 -0.096 0.000 0.636 276 A CB -0.977 18.002 19.000 -0.035 0.000 0.815 276 A HN 1.729 nan 8.150 nan 0.000 0.449 277 G N -1.690 106.942 108.800 -0.280 0.000 2.920 277 G HA2 0.447 4.407 3.960 -0.000 0.000 0.208 277 G HA3 0.447 4.407 3.960 -0.000 0.000 0.208 277 G C 0.678 174.946 174.900 -1.053 0.000 1.159 277 G CA 0.750 45.525 45.100 -0.543 0.000 0.784 277 G HN 1.669 nan 8.290 nan 0.000 0.535 278 G N -2.192 106.109 108.800 -0.832 0.000 2.435 278 G HA2 0.571 4.531 3.960 -0.000 0.000 0.603 278 G HA3 0.571 4.531 3.960 -0.000 0.000 0.603 278 G C -0.251 174.394 174.900 -0.426 0.000 1.496 278 G CA -0.111 44.557 45.100 -0.719 0.000 0.896 278 G HN 1.834 nan 8.290 nan 0.000 0.657 279 G N 0.410 109.141 108.800 -0.116 0.000 2.326 279 G HA2 0.475 4.435 3.960 -0.000 0.000 0.413 279 G HA3 0.475 4.435 3.960 -0.000 0.000 0.413 279 G C -0.505 174.405 174.900 0.017 0.000 1.444 279 G CA -0.394 44.704 45.100 -0.004 0.000 1.002 279 G HN 1.413 nan 8.290 nan 0.000 0.649 280 H N 0.229 119.344 119.070 0.075 0.000 3.231 280 H HA 0.254 4.810 4.556 -0.000 0.000 0.280 280 H C 1.142 176.496 175.328 0.043 0.000 0.901 280 H CA 1.435 57.536 56.048 0.088 0.000 1.414 280 H CB 0.458 30.282 29.762 0.103 0.000 1.433 280 H HN 0.934 nan 8.280 nan 0.000 0.549 281 A N 7.102 130.004 122.820 0.137 0.000 2.362 281 A HA 0.248 4.568 4.320 -0.000 0.000 0.276 281 A C -1.531 176.071 177.584 0.029 0.000 1.153 281 A CA -1.160 50.886 52.037 0.015 0.000 0.813 281 A CB 0.519 19.515 19.000 -0.006 0.000 1.081 281 A HN 0.546 nan 8.150 nan 0.000 0.507 282 P HA 0.182 nan 4.420 nan 0.000 0.305 282 P C -0.724 176.510 177.300 -0.110 0.000 1.600 282 P CA 0.093 63.051 63.100 -0.235 0.000 1.319 282 P CB 0.572 31.889 31.700 -0.639 0.000 1.608 283 D N -0.824 119.569 120.400 -0.012 0.000 2.559 283 D HA 0.043 4.683 4.640 -0.000 0.000 0.234 283 D C 1.242 177.576 176.300 0.057 0.000 1.226 283 D CA -0.645 53.365 54.000 0.017 0.000 0.830 283 D CB -0.483 40.321 40.800 0.006 0.000 1.028 283 D HN -0.025 nan 8.370 nan 0.000 0.492 284 I N 0.521 121.143 120.570 0.086 0.000 2.567 284 I HA -0.073 4.097 4.170 -0.000 0.000 0.257 284 I C 1.652 177.826 176.117 0.095 0.000 1.184 284 I CA 0.777 62.144 61.300 0.111 0.000 1.451 284 I CB -0.127 37.952 38.000 0.132 0.000 1.089 284 I HN 0.194 nan 8.210 nan 0.000 0.441 285 I N 0.372 121.005 120.570 0.104 0.000 2.567 285 I HA -0.301 3.869 4.170 -0.000 0.000 0.257 285 I C 2.054 178.260 176.117 0.149 0.000 1.184 285 I CA 1.736 63.133 61.300 0.162 0.000 1.451 285 I CB -0.317 37.780 38.000 0.161 0.000 1.089 285 I HN 0.482 nan 8.210 nan 0.000 0.441 286 T N -1.504 113.115 114.554 0.107 0.000 3.051 286 T HA 0.024 4.374 4.350 -0.000 0.000 0.269 286 T C 1.821 176.618 174.700 0.162 0.000 1.127 286 T CA 0.709 62.875 62.100 0.111 0.000 1.107 286 T CB -0.389 68.533 68.868 0.090 0.000 0.898 286 T HN 0.383 nan 8.240 nan 0.000 0.517 287 A N 1.325 124.227 122.820 0.136 0.000 2.019 287 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 287 A C 2.625 180.312 177.584 0.171 0.000 1.164 287 A CA 1.284 53.411 52.037 0.150 0.000 0.644 287 A CB -1.527 17.488 19.000 0.024 0.000 0.805 287 A HN 0.988 nan 8.150 nan 0.000 0.449 288 C N -1.829 117.531 119.300 0.101 0.000 2.485 288 C HA 0.416 4.876 4.460 -0.000 0.000 0.283 288 C C 2.333 177.365 174.990 0.068 0.000 1.478 288 C CA 0.068 59.126 59.018 0.067 0.000 1.741 288 C CB -1.742 26.083 27.740 0.141 0.000 1.675 288 C HN 0.634 nan 8.230 nan 0.000 0.573 289 A N -0.642 122.214 122.820 0.059 0.000 2.132 289 A HA 0.167 4.487 4.320 -0.000 0.000 0.213 289 A C 0.944 178.410 177.584 -0.197 0.000 1.154 289 A CA 0.172 52.157 52.037 -0.086 0.000 0.753 289 A CB -0.561 18.336 19.000 -0.171 0.000 0.826 289 A HN 0.843 nan 8.150 nan 0.000 0.469 290 H N -0.019 119.047 119.070 -0.008 0.000 2.525 290 H HA 0.166 4.722 4.556 -0.000 0.000 0.339 290 H C -1.624 173.692 175.328 -0.020 0.000 1.109 290 H CA -1.417 54.623 56.048 -0.014 0.000 1.352 290 H CB 1.110 30.861 29.762 -0.017 0.000 1.461 290 H HN 0.159 nan 8.280 nan 0.000 0.533 291 P HA -0.122 nan 4.420 nan 0.000 0.223 291 P C 0.754 178.067 177.300 0.022 0.000 1.151 291 P CA 1.003 64.121 63.100 0.030 0.000 0.787 291 P CB 0.380 32.090 31.700 0.016 0.000 0.788 292 N N -0.435 118.287 118.700 0.036 0.000 2.336 292 N HA 0.022 4.762 4.740 -0.000 0.000 0.189 292 N C 0.266 175.766 175.510 -0.017 0.000 1.113 292 N CA 0.080 53.130 53.050 0.000 0.000 0.858 292 N CB 0.009 38.493 38.487 -0.005 0.000 0.970 292 N HN 0.090 nan 8.380 nan 0.000 0.471 293 I N 1.977 122.548 120.570 0.001 0.000 2.331 293 I HA 0.302 4.472 4.170 -0.000 0.000 0.292 293 I C -0.046 176.043 176.117 -0.046 0.000 0.998 293 I CA -0.806 60.480 61.300 -0.023 0.000 1.267 293 I CB 1.468 39.467 38.000 -0.002 0.000 1.386 293 I HN -0.057 nan 8.210 nan 0.000 0.476 294 L N 8.720 129.902 121.223 -0.068 0.000 2.283 294 L HA 0.400 4.740 4.340 -0.000 0.000 0.281 294 L C -2.329 174.484 176.870 -0.094 0.000 1.033 294 L CA -1.532 53.241 54.840 -0.113 0.000 0.848 294 L CB 1.244 43.196 42.059 -0.179 0.000 1.226 294 L HN 0.326 nan 8.230 nan 0.000 0.429 295 P HA 0.297 nan 4.420 nan 0.000 0.296 295 P C -0.935 176.222 177.300 -0.238 0.000 1.306 295 P CA -0.377 62.573 63.100 -0.250 0.000 0.818 295 P CB 1.944 33.341 31.700 -0.504 0.000 0.969 296 S N 1.672 117.322 115.700 -0.083 0.000 2.634 296 S HA 0.750 5.220 4.470 -0.000 0.000 0.296 296 S C -0.389 174.273 174.600 0.103 0.000 1.104 296 S CA -0.685 57.569 58.200 0.090 0.000 0.920 296 S CB 1.241 64.652 63.200 0.352 0.000 1.111 296 S HN 0.313 nan 8.310 nan 0.000 0.493 297 S N 1.019 116.894 115.700 0.292 0.000 2.568 297 S HA 0.799 5.269 4.470 -0.000 0.000 0.302 297 S C -0.193 174.537 174.600 0.218 0.000 1.082 297 S CA -0.764 57.648 58.200 0.354 0.000 1.009 297 S CB 1.672 65.233 63.200 0.601 0.000 1.069 297 S HN 0.985 nan 8.310 nan 0.000 0.500 298 T N 0.148 114.807 114.554 0.175 0.000 2.934 298 T HA 0.313 4.663 4.350 -0.000 0.000 0.283 298 T C 0.967 175.701 174.700 0.056 0.000 1.005 298 T CA -0.844 61.287 62.100 0.052 0.000 1.041 298 T CB 0.579 69.448 68.868 0.001 0.000 1.042 298 T HN 0.587 nan 8.240 nan 0.000 0.505 299 N N 0.550 119.248 118.700 -0.003 0.000 2.446 299 N HA 0.019 4.759 4.740 -0.000 0.000 0.179 299 N C -0.916 174.612 175.510 0.030 0.000 1.054 299 N CA -0.177 52.874 53.050 0.002 0.000 0.905 299 N CB -1.340 37.123 38.487 -0.041 0.000 0.973 299 N HN 0.437 nan 8.380 nan 0.000 0.448 300 P HA -0.076 nan 4.420 nan 0.000 0.222 300 P C 0.708 178.134 177.300 0.209 0.000 1.147 300 P CA 1.412 64.593 63.100 0.134 0.000 0.790 300 P CB -0.255 31.509 31.700 0.107 0.000 0.780 301 T N -3.374 111.257 114.554 0.129 0.000 3.129 301 T HA 0.196 4.546 4.350 -0.000 0.000 0.251 301 T C 0.748 175.480 174.700 0.052 0.000 1.117 301 T CA -0.065 62.044 62.100 0.016 0.000 1.034 301 T CB -0.558 68.287 68.868 -0.037 0.000 0.968 301 T HN -0.006 nan 8.240 nan 0.000 0.526 302 L N 3.241 124.502 121.223 0.063 0.000 2.276 302 L HA 0.522 4.862 4.340 -0.000 0.000 0.286 302 L C -2.416 174.481 176.870 0.046 0.000 1.024 302 L CA -2.315 52.556 54.840 0.052 0.000 0.826 302 L CB 1.677 43.745 42.059 0.015 0.000 1.211 302 L HN 0.004 nan 8.230 nan 0.000 0.422 303 P HA 0.130 nan 4.420 nan 0.000 0.289 303 P C -1.354 176.032 177.300 0.143 0.000 1.300 303 P CA -0.725 62.434 63.100 0.099 0.000 0.828 303 P CB 1.105 32.862 31.700 0.096 0.000 1.235 304 Y N 1.474 121.775 120.300 0.002 0.000 2.537 304 Y HA 0.312 4.862 4.550 -0.000 0.000 0.339 304 Y C 0.311 176.212 175.900 0.002 0.000 1.066 304 Y CA 0.216 58.308 58.100 -0.013 0.000 1.357 304 Y CB -0.650 37.800 38.460 -0.017 0.000 1.175 304 Y HN 0.384 nan 8.280 nan 0.000 0.525 305 T N 2.639 117.138 114.554 -0.093 0.000 2.858 305 T HA 0.388 4.738 4.350 -0.000 0.000 0.285 305 T C 1.006 175.560 174.700 -0.244 0.000 1.052 305 T CA -0.864 61.124 62.100 -0.185 0.000 1.009 305 T CB 0.862 69.701 68.868 -0.049 0.000 1.241 305 T HN 0.595 nan 8.240 nan 0.000 0.542 306 L N 0.529 121.648 121.223 -0.173 0.000 2.131 306 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 306 L C 2.187 179.028 176.870 -0.047 0.000 1.092 306 L CA 1.149 55.914 54.840 -0.124 0.000 0.759 306 L CB -0.469 41.542 42.059 -0.081 0.000 0.903 306 L HN 0.665 nan 8.230 nan 0.000 0.435 307 N N -1.227 117.463 118.700 -0.016 0.000 2.353 307 N HA -0.029 4.711 4.740 -0.000 0.000 0.185 307 N C 1.607 177.154 175.510 0.061 0.000 1.098 307 N CA 0.581 53.644 53.050 0.020 0.000 0.872 307 N CB 0.235 38.734 38.487 0.020 0.000 0.970 307 N HN 0.246 nan 8.380 nan 0.000 0.467 308 T N 2.363 116.961 114.554 0.073 0.000 2.597 308 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 308 T C 1.975 176.754 174.700 0.131 0.000 1.053 308 T CA 0.875 63.048 62.100 0.122 0.000 1.165 308 T CB -0.020 68.925 68.868 0.129 0.000 0.863 308 T HN 0.107 nan 8.240 nan 0.000 0.427 309 I N 1.830 122.462 120.570 0.104 0.000 2.226 309 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 309 I C 2.080 178.255 176.117 0.096 0.000 1.100 309 I CA 1.578 62.929 61.300 0.084 0.000 1.374 309 I CB -1.454 36.597 38.000 0.084 0.000 1.057 309 I HN 0.301 nan 8.210 nan 0.000 0.413 310 D N 0.854 121.301 120.400 0.079 0.000 2.092 310 D HA -0.249 4.391 4.640 -0.000 0.000 0.193 310 D C 2.069 178.406 176.300 0.062 0.000 0.994 310 D CA 1.753 55.788 54.000 0.059 0.000 0.828 310 D CB -0.154 40.671 40.800 0.041 0.000 0.963 310 D HN 0.614 nan 8.370 nan 0.000 0.450 311 E N -0.131 120.117 120.200 0.080 0.000 2.072 311 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 311 E C 1.728 178.346 176.600 0.032 0.000 0.985 311 E CA 1.108 57.536 56.400 0.047 0.000 0.801 311 E CB -0.383 29.342 29.700 0.040 0.000 0.750 311 E HN 0.368 nan 8.360 nan 0.000 0.452 312 H N -0.045 119.018 119.070 -0.011 0.000 2.387 312 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 312 H C 1.854 177.164 175.328 -0.030 0.000 1.090 312 H CA 1.540 57.573 56.048 -0.024 0.000 1.332 312 H CB -0.121 29.627 29.762 -0.023 0.000 1.386 312 H HN 0.156 nan 8.280 nan 0.000 0.516 313 L N 0.535 121.815 121.223 0.094 0.000 2.012 313 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 313 L C 1.085 177.963 176.870 0.013 0.000 1.073 313 L CA 2.007 56.871 54.840 0.039 0.000 0.748 313 L CB -0.281 41.800 42.059 0.036 0.000 0.891 313 L HN 0.212 nan 8.230 nan 0.000 0.431 314 D N -1.799 118.604 120.400 0.005 0.000 2.347 314 D HA -0.090 4.550 4.640 -0.000 0.000 0.213 314 D C 2.044 178.324 176.300 -0.034 0.000 0.985 314 D CA 0.510 54.504 54.000 -0.009 0.000 0.879 314 D CB 0.097 40.892 40.800 -0.009 0.000 0.919 314 D HN 0.352 nan 8.370 nan 0.000 0.526 315 M N 0.210 119.774 119.600 -0.060 0.000 2.287 315 M HA -0.019 4.461 4.480 -0.000 0.000 0.266 315 M C 0.705 176.954 176.300 -0.085 0.000 1.079 315 M CA 0.341 55.578 55.300 -0.106 0.000 1.146 315 M CB 0.271 32.749 32.600 -0.204 0.000 1.374 315 M HN 0.013 nan 8.290 nan 0.000 0.435 333 A N 1.209 123.892 122.820 -0.230 0.000 1.940 333 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 333 A C 1.763 179.206 177.584 -0.235 0.000 1.176 333 A CA 2.071 53.910 52.037 -0.330 0.000 0.631 333 A CB -0.929 18.023 19.000 -0.081 0.000 0.814 333 A HN 0.661 nan 8.150 nan 0.000 0.446 334 E N 0.330 120.471 120.200 -0.100 0.000 2.401 334 E HA -0.117 4.233 4.350 -0.000 0.000 0.199 334 E C 1.997 178.585 176.600 -0.020 0.000 1.023 334 E CA 1.121 57.505 56.400 -0.028 0.000 0.859 334 E CB -0.135 29.585 29.700 0.034 0.000 0.780 334 E HN 0.821 nan 8.360 nan 0.000 0.523 335 S N -0.235 115.396 115.700 -0.114 0.000 2.492 335 S HA 0.109 4.578 4.470 -0.000 0.000 0.218 335 S C 1.860 176.284 174.600 -0.293 0.000 1.016 335 S CA -0.200 57.920 58.200 -0.134 0.000 0.916 335 S CB 0.342 63.519 63.200 -0.040 0.000 0.791 335 S HN 0.060 nan 8.310 nan 0.000 0.513 336 R N 0.282 120.568 120.500 -0.358 0.000 2.105 336 R HA 0.403 4.743 4.340 -0.000 0.000 0.214 336 R C -0.100 176.061 176.300 -0.232 0.000 1.091 336 R CA 0.498 56.397 56.100 -0.334 0.000 1.007 336 R CB 0.047 30.071 30.300 -0.460 0.000 0.912 336 R HN 0.382 nan 8.270 nan 0.000 0.450 337 I N 2.382 122.840 120.570 -0.186 0.000 2.291 337 I HA 0.181 4.351 4.170 -0.000 0.000 0.292 337 I C -0.622 175.433 176.117 -0.102 0.000 1.064 337 I CA -0.003 61.226 61.300 -0.117 0.000 1.269 337 I CB 1.086 39.054 38.000 -0.054 0.000 1.418 337 I HN -0.028 nan 8.210 nan 0.000 0.485 338 R N 5.085 125.509 120.500 -0.126 0.000 2.476 338 R HA 0.379 4.719 4.340 -0.000 0.000 0.305 338 R C 0.883 177.116 176.300 -0.112 0.000 0.965 338 R CA -0.817 55.236 56.100 -0.079 0.000 0.867 338 R CB 2.075 32.295 30.300 -0.132 0.000 1.176 338 R HN 0.480 nan 8.270 nan 0.000 0.447 339 R N 1.824 122.277 120.500 -0.079 0.000 2.091 339 R HA -0.213 4.127 4.340 -0.000 0.000 0.238 339 R C 0.621 176.777 176.300 -0.240 0.000 1.136 339 R CA 1.922 57.921 56.100 -0.169 0.000 0.959 339 R CB 0.255 30.532 30.300 -0.038 0.000 0.856 339 R HN 0.577 nan 8.270 nan 0.000 0.437 340 E N -0.445 119.696 120.200 -0.097 0.000 2.038 340 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 340 E C 2.019 178.546 176.600 -0.121 0.000 1.000 340 E CA 2.320 58.675 56.400 -0.075 0.000 0.803 340 E CB -0.333 29.388 29.700 0.034 0.000 0.750 340 E HN 0.585 nan 8.360 nan 0.000 0.448 341 T N -1.334 113.150 114.554 -0.117 0.000 2.985 341 T HA 0.023 4.373 4.350 -0.000 0.000 0.266 341 T C 2.003 176.597 174.700 -0.176 0.000 1.076 341 T CA 0.558 62.585 62.100 -0.122 0.000 1.135 341 T CB -0.270 68.540 68.868 -0.096 0.000 0.890 341 T HN 0.036 nan 8.240 nan 0.000 0.480 342 I N 1.642 122.060 120.570 -0.252 0.000 2.315 342 I HA -0.048 4.122 4.170 -0.000 0.000 0.248 342 I C 3.123 179.000 176.117 -0.399 0.000 1.117 342 I CA 1.122 62.233 61.300 -0.315 0.000 1.404 342 I CB -0.448 37.317 38.000 -0.391 0.000 1.071 342 I HN 0.341 nan 8.210 nan 0.000 0.419 343 A N 0.588 123.077 122.820 -0.553 0.000 1.929 343 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 343 A C 2.517 180.000 177.584 -0.169 0.000 1.176 343 A CA 1.510 53.292 52.037 -0.424 0.000 0.628 343 A CB -0.674 18.091 19.000 -0.391 0.000 0.816 343 A HN 0.401 nan 8.150 nan 0.000 0.444 344 A N -0.165 122.554 122.820 -0.169 0.000 1.930 344 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 344 A C 1.984 179.449 177.584 -0.198 0.000 1.175 344 A CA 1.723 53.677 52.037 -0.139 0.000 0.627 344 A CB -0.554 18.373 19.000 -0.122 0.000 0.815 344 A HN 0.677 nan 8.150 nan 0.000 0.443 345 E N 0.021 120.078 120.200 -0.240 0.000 2.097 345 E HA -0.296 4.054 4.350 -0.000 0.000 0.196 345 E C 1.227 177.696 176.600 -0.219 0.000 1.000 345 E CA 1.696 57.877 56.400 -0.365 0.000 0.804 345 E CB -0.191 29.390 29.700 -0.199 0.000 0.740 345 E HN 0.553 nan 8.360 nan 0.000 0.454 346 D N -0.143 120.226 120.400 -0.051 0.000 2.117 346 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 346 D C 2.046 178.382 176.300 0.060 0.000 0.987 346 D CA 1.207 55.247 54.000 0.067 0.000 0.829 346 D CB -0.193 40.662 40.800 0.092 0.000 0.961 346 D HN 0.129 nan 8.370 nan 0.000 0.460 347 V N 0.814 120.722 119.914 -0.010 0.000 2.358 347 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 347 V C 2.580 178.643 176.094 -0.052 0.000 1.047 347 V CA 1.030 63.328 62.300 -0.004 0.000 1.035 347 V CB -0.504 31.307 31.823 -0.019 0.000 0.658 347 V HN 0.203 nan 8.190 nan 0.000 0.452 348 L N -0.779 120.329 121.223 -0.191 0.000 2.131 348 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 348 L C 2.469 179.191 176.870 -0.246 0.000 1.092 348 L CA 1.725 56.395 54.840 -0.284 0.000 0.759 348 L CB -0.699 41.004 42.059 -0.593 0.000 0.903 348 L HN 0.421 nan 8.230 nan 0.000 0.435 349 H N -1.088 117.866 119.070 -0.194 0.000 2.363 349 H HA -0.175 4.381 4.556 -0.000 0.000 0.301 349 H C 1.926 177.161 175.328 -0.155 0.000 1.074 349 H CA 1.509 57.477 56.048 -0.134 0.000 1.354 349 H CB 0.205 29.912 29.762 -0.092 0.000 1.397 349 H HN 0.201 nan 8.280 nan 0.000 0.516 350 D N -0.101 120.374 120.400 0.125 0.000 2.178 350 D HA -0.098 4.542 4.640 -0.000 0.000 0.201 350 D C 1.583 177.949 176.300 0.111 0.000 0.980 350 D CA 0.702 54.815 54.000 0.187 0.000 0.842 350 D CB 0.048 40.985 40.800 0.227 0.000 0.948 350 D HN 0.328 nan 8.370 nan 0.000 0.472 351 L N -1.482 119.775 121.223 0.058 0.000 2.509 351 L HA 0.243 4.583 4.340 -0.000 0.000 0.222 351 L C 1.572 178.479 176.870 0.060 0.000 1.123 351 L CA 0.489 55.365 54.840 0.061 0.000 0.856 351 L CB 0.055 42.133 42.059 0.031 0.000 0.985 351 L HN 0.221 nan 8.230 nan 0.000 0.456 352 G N -0.353 108.463 108.800 0.026 0.000 2.132 352 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.234 352 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.234 352 G C 0.895 175.821 174.900 0.044 0.000 0.989 352 G CA 0.362 45.482 45.100 0.034 0.000 0.676 352 G HN 0.391 nan 8.290 nan 0.000 0.522 353 A N -0.912 121.936 122.820 0.045 0.000 1.975 353 A HA 0.617 4.937 4.320 -0.000 0.000 0.215 353 A C 0.674 178.395 177.584 0.228 0.000 1.170 353 A CA 0.860 52.962 52.037 0.108 0.000 0.656 353 A CB 0.021 19.079 19.000 0.097 0.000 0.821 353 A HN 0.580 nan 8.150 nan 0.000 0.449 354 F N -0.224 119.585 119.950 -0.235 0.000 2.420 354 F HA 0.445 4.972 4.527 -0.000 0.000 0.342 354 F C 1.133 176.820 175.800 -0.189 0.000 1.113 354 F CA -1.187 56.618 58.000 -0.325 0.000 1.059 354 F CB 1.918 40.402 39.000 -0.860 0.000 1.128 354 F HN -0.028 nan 8.300 nan 0.000 0.475 355 S N 2.257 117.969 115.700 0.020 0.000 2.512 355 S HA 0.338 4.808 4.470 -0.000 0.000 0.216 355 S C -0.143 174.489 174.600 0.054 0.000 1.006 355 S CA 0.051 58.265 58.200 0.023 0.000 0.915 355 S CB 0.317 63.494 63.200 -0.037 0.000 0.824 355 S HN 0.254 nan 8.310 nan 0.000 0.497 356 L N 1.369 122.665 121.223 0.122 0.000 2.376 356 L HA 0.587 4.927 4.340 -0.000 0.000 0.258 356 L C -0.174 176.841 176.870 0.242 0.000 1.013 356 L CA -0.345 54.576 54.840 0.135 0.000 0.822 356 L CB 1.971 44.071 42.059 0.067 0.000 1.388 356 L HN 0.051 nan 8.230 nan 0.000 0.413 357 T N -1.959 112.694 114.554 0.165 0.000 2.893 357 T HA 0.961 5.311 4.350 -0.000 0.000 0.291 357 T C -0.431 174.331 174.700 0.103 0.000 1.028 357 T CA -0.535 61.636 62.100 0.119 0.000 0.995 357 T CB 1.867 70.739 68.868 0.008 0.000 1.051 357 T HN 0.767 nan 8.240 nan 0.000 0.470 358 S N 0.402 116.141 115.700 0.064 0.000 2.672 358 S HA 0.652 5.122 4.470 -0.000 0.000 0.271 358 S C 0.861 175.432 174.600 -0.049 0.000 1.171 358 S CA -0.133 58.082 58.200 0.024 0.000 0.817 358 S CB 1.092 64.327 63.200 0.058 0.000 1.150 358 S HN 1.129 nan 8.310 nan 0.000 0.478 359 S N 0.079 115.717 115.700 -0.103 0.000 2.370 359 S HA 0.246 4.716 4.470 -0.000 0.000 0.214 359 S C 0.348 174.789 174.600 -0.265 0.000 1.033 359 S CA 1.167 59.276 58.200 -0.150 0.000 0.941 359 S CB -0.737 62.384 63.200 -0.132 0.000 0.886 359 S HN 1.263 nan 8.310 nan 0.000 0.521 360 D N 1.619 121.774 120.400 -0.408 0.000 2.832 360 D HA -0.129 4.511 4.640 -0.000 0.000 0.235 360 D C -0.386 175.773 176.300 -0.234 0.000 1.081 360 D CA 0.729 54.367 54.000 -0.605 0.000 0.744 360 D CB -1.896 38.499 40.800 -0.675 0.000 1.086 360 D HN 0.678 nan 8.370 nan 0.000 0.438 361 S N 0.772 116.389 115.700 -0.138 0.000 2.885 361 S HA -0.015 4.455 4.470 -0.000 0.000 0.334 361 S C 1.049 175.568 174.600 -0.135 0.000 1.224 361 S CA 1.084 59.212 58.200 -0.120 0.000 1.080 361 S CB 0.848 63.977 63.200 -0.119 0.000 0.801 361 S HN 0.453 nan 8.310 nan 0.000 0.510 362 Q N 0.171 119.884 119.800 -0.145 0.000 2.468 362 Q HA -0.280 4.060 4.340 -0.000 0.000 0.256 362 Q C 0.313 176.176 176.000 -0.229 0.000 0.984 362 Q CA 1.048 56.762 55.803 -0.148 0.000 1.110 362 Q CB -2.023 26.668 28.738 -0.079 0.000 1.527 362 Q HN 1.240 nan 8.270 nan 0.000 0.535 363 A N 0.128 122.757 122.820 -0.318 0.000 3.292 363 A HA 0.572 4.892 4.320 -0.000 0.000 0.231 363 A C 0.379 177.814 177.584 -0.248 0.000 0.952 363 A CA 0.143 51.950 52.037 -0.384 0.000 1.044 363 A CB 0.492 18.943 19.000 -0.914 0.000 1.236 363 A HN 0.345 nan 8.150 nan 0.000 0.525 364 M N -1.179 118.300 119.600 -0.200 0.000 2.665 364 M HA -0.146 4.334 4.480 -0.000 0.000 0.217 364 M C 0.160 176.363 176.300 -0.161 0.000 0.487 364 M CA 0.978 56.173 55.300 -0.175 0.000 0.657 364 M CB -1.265 31.253 32.600 -0.135 0.000 2.412 364 M HN 1.261 nan 8.290 nan 0.000 0.767 365 G N 0.569 109.269 108.800 -0.167 0.000 2.556 365 G HA2 0.649 4.609 3.960 -0.000 0.000 0.294 365 G HA3 0.649 4.609 3.960 -0.000 0.000 0.294 365 G C -1.410 173.409 174.900 -0.135 0.000 1.516 365 G CA -1.133 43.878 45.100 -0.148 0.000 0.824 365 G HN 0.256 nan 8.290 nan 0.000 0.535 366 R N 1.644 122.076 120.500 -0.114 0.000 2.288 366 R HA 0.392 4.732 4.340 -0.000 0.000 0.326 366 R C 0.967 177.206 176.300 -0.102 0.000 0.959 366 R CA -0.740 55.296 56.100 -0.106 0.000 0.834 366 R CB 2.100 32.339 30.300 -0.102 0.000 1.157 366 R HN 0.317 nan 8.270 nan 0.000 0.470 367 V N 2.809 122.665 119.914 -0.097 0.000 2.568 367 V HA -0.152 3.967 4.120 -0.000 0.000 0.253 367 V C 1.467 177.517 176.094 -0.074 0.000 1.072 367 V CA 2.523 64.770 62.300 -0.088 0.000 1.084 367 V CB -0.062 31.713 31.823 -0.080 0.000 0.676 367 V HN 1.003 nan 8.190 nan 0.000 0.469 368 G N -1.360 107.396 108.800 -0.073 0.000 3.337 368 G HA2 0.131 4.091 3.960 -0.000 0.000 0.246 368 G HA3 0.131 4.091 3.960 -0.000 0.000 0.246 368 G C 0.728 175.587 174.900 -0.068 0.000 1.131 368 G CA 0.064 45.126 45.100 -0.063 0.000 0.773 368 G HN 0.609 nan 8.290 nan 0.000 0.544 369 E N 0.029 120.177 120.200 -0.086 0.000 2.734 369 E HA 0.142 4.492 4.350 -0.000 0.000 0.211 369 E C 1.434 177.970 176.600 -0.107 0.000 0.991 369 E CA -0.212 56.134 56.400 -0.090 0.000 1.065 369 E CB 1.123 30.764 29.700 -0.099 0.000 1.047 369 E HN 0.183 nan 8.360 nan 0.000 0.470 370 V N 0.859 120.697 119.914 -0.127 0.000 2.307 370 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 370 V C 2.162 178.082 176.094 -0.290 0.000 1.045 370 V CA 1.593 63.794 62.300 -0.165 0.000 1.024 370 V CB -0.264 31.475 31.823 -0.140 0.000 0.651 370 V HN 0.348 nan 8.190 nan 0.000 0.449 371 I N -0.334 120.009 120.570 -0.378 0.000 2.163 371 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 371 I C 2.457 178.427 176.117 -0.245 0.000 1.081 371 I CA 1.622 62.572 61.300 -0.583 0.000 1.353 371 I CB -0.368 37.351 38.000 -0.468 0.000 1.054 371 I HN 0.290 nan 8.210 nan 0.000 0.407 372 L N 1.009 122.169 121.223 -0.104 0.000 2.013 372 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 372 L C 2.803 179.669 176.870 -0.006 0.000 1.073 372 L CA 1.769 56.606 54.840 -0.006 0.000 0.753 372 L CB -0.289 41.774 42.059 0.006 0.000 0.890 372 L HN 0.137 nan 8.230 nan 0.000 0.432 373 R N -1.076 119.386 120.500 -0.064 0.000 2.115 373 R HA -0.093 4.247 4.340 -0.000 0.000 0.226 373 R C 2.124 178.373 176.300 -0.085 0.000 1.100 373 R CA 1.661 57.729 56.100 -0.053 0.000 0.980 373 R CB -0.488 29.780 30.300 -0.054 0.000 0.875 373 R HN 0.428 nan 8.270 nan 0.000 0.445 374 T N -0.147 114.293 114.554 -0.189 0.000 2.746 374 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 374 T C 1.217 175.724 174.700 -0.321 0.000 1.039 374 T CA 1.309 63.250 62.100 -0.265 0.000 1.142 374 T CB -0.194 68.452 68.868 -0.369 0.000 0.866 374 T HN 0.446 nan 8.240 nan 0.000 0.444 375 W N 1.452 122.753 121.300 0.003 0.000 2.467 375 W HA 0.040 4.699 4.660 -0.000 0.000 0.275 375 W C 2.615 179.099 176.519 -0.058 0.000 1.239 375 W CA -0.020 57.300 57.345 -0.041 0.000 1.266 375 W CB -0.204 29.244 29.460 -0.020 0.000 1.112 375 W HN 0.295 nan 8.180 nan 0.000 0.576 376 Q N -0.008 119.869 119.800 0.129 0.000 2.119 376 Q HA -0.163 4.177 4.340 -0.000 0.000 0.201 376 Q C 2.141 178.201 176.000 0.100 0.000 0.972 376 Q CA 1.575 57.438 55.803 0.101 0.000 0.847 376 Q CB -0.458 28.315 28.738 0.058 0.000 0.903 376 Q HN 0.179 nan 8.270 nan 0.000 0.433 377 V N 0.936 120.871 119.914 0.035 0.000 2.295 377 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 377 V C 2.292 178.354 176.094 -0.052 0.000 1.049 377 V CA 1.831 64.157 62.300 0.044 0.000 1.024 377 V CB -1.027 30.852 31.823 0.093 0.000 0.648 377 V HN 0.399 nan 8.190 nan 0.000 0.447 378 A N -0.165 122.444 122.820 -0.351 0.000 1.883 378 A HA -0.344 3.976 4.320 -0.000 0.000 0.217 378 A C 2.111 179.600 177.584 -0.159 0.000 1.186 378 A CA 2.593 54.234 52.037 -0.659 0.000 0.624 378 A CB -0.939 17.527 19.000 -0.890 0.000 0.822 378 A HN 0.810 nan 8.150 nan 0.000 0.444 379 H N -0.649 118.372 119.070 -0.081 0.000 2.290 379 H HA -0.095 4.461 4.556 -0.000 0.000 0.298 379 H C 2.229 177.556 175.328 -0.002 0.000 1.087 379 H CA 2.037 58.076 56.048 -0.014 0.000 1.291 379 H CB -0.040 29.731 29.762 0.014 0.000 1.369 379 H HN 0.238 nan 8.280 nan 0.000 0.492 380 R N -0.232 120.270 120.500 0.002 0.000 2.120 380 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 380 R C 2.217 178.486 176.300 -0.052 0.000 1.123 380 R CA 1.224 57.304 56.100 -0.034 0.000 0.975 380 R CB -0.305 30.046 30.300 0.086 0.000 0.866 380 R HN 0.486 nan 8.270 nan 0.000 0.446 381 M N 0.242 119.830 119.600 -0.019 0.000 2.236 381 M HA -0.077 4.403 4.480 -0.000 0.000 0.266 381 M C 2.118 178.413 176.300 -0.009 0.000 1.070 381 M CA 1.184 56.495 55.300 0.019 0.000 1.137 381 M CB -0.626 32.029 32.600 0.091 0.000 1.378 381 M HN 0.044 nan 8.290 nan 0.000 0.426 382 K N 0.506 120.874 120.400 -0.052 0.000 2.026 382 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 382 K C 1.812 178.370 176.600 -0.069 0.000 1.048 382 K CA 1.273 57.536 56.287 -0.041 0.000 0.929 382 K CB 0.021 32.496 32.500 -0.042 0.000 0.713 382 K HN 0.075 nan 8.250 nan 0.000 0.439 383 V N 1.583 121.403 119.914 -0.158 0.000 2.392 383 V HA -0.259 3.861 4.120 -0.000 0.000 0.249 383 V C 2.255 178.311 176.094 -0.064 0.000 1.059 383 V CA 1.963 64.177 62.300 -0.143 0.000 1.051 383 V CB -0.427 31.248 31.823 -0.246 0.000 0.658 383 V HN 0.447 nan 8.190 nan 0.000 0.455 384 Q N -0.840 118.934 119.800 -0.043 0.000 2.259 384 Q HA 0.059 4.399 4.340 -0.000 0.000 0.201 384 Q C 2.225 178.228 176.000 0.005 0.000 0.938 384 Q CA 0.711 56.509 55.803 -0.010 0.000 0.872 384 Q CB 0.098 28.840 28.738 0.007 0.000 0.971 384 Q HN 0.574 nan 8.270 nan 0.000 0.494 385 R N -0.240 120.267 120.500 0.012 0.000 2.335 385 R HA 0.263 4.603 4.340 -0.000 0.000 0.210 385 R C 0.737 177.052 176.300 0.025 0.000 0.892 385 R CA 0.507 56.621 56.100 0.024 0.000 1.048 385 R CB 1.049 31.374 30.300 0.041 0.000 1.067 385 R HN 0.203 nan 8.270 nan 0.000 0.524 386 G N 1.529 110.340 108.800 0.019 0.000 2.584 386 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.229 386 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.229 386 G C -0.346 174.579 174.900 0.042 0.000 1.320 386 G CA -0.416 44.697 45.100 0.022 0.000 0.891 386 G HN 0.428 nan 8.290 nan 0.000 0.573 387 A N -0.508 122.338 122.820 0.042 0.000 2.407 387 A HA 0.628 4.948 4.320 -0.000 0.000 0.248 387 A C 0.905 178.533 177.584 0.073 0.000 1.082 387 A CA 0.218 52.291 52.037 0.061 0.000 0.785 387 A CB 0.096 19.123 19.000 0.046 0.000 1.020 387 A HN 1.208 nan 8.150 nan 0.000 0.489 388 L N 1.341 122.631 121.223 0.111 0.000 2.453 388 L HA 0.270 4.610 4.340 -0.000 0.000 0.261 388 L C 1.839 178.744 176.870 0.058 0.000 1.179 388 L CA 0.001 54.914 54.840 0.121 0.000 0.813 388 L CB 0.725 42.925 42.059 0.233 0.000 1.110 388 L HN 0.893 nan 8.230 nan 0.000 0.466 389 A N 1.113 123.950 122.820 0.028 0.000 2.019 389 A HA -0.151 4.168 4.320 -0.000 0.000 0.219 389 A C 1.841 179.376 177.584 -0.082 0.000 1.164 389 A CA 1.443 53.469 52.037 -0.019 0.000 0.644 389 A CB -0.384 18.605 19.000 -0.018 0.000 0.805 389 A HN 0.873 nan 8.150 nan 0.000 0.449 390 E N 0.496 120.600 120.200 -0.160 0.000 2.435 390 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 390 E C 0.262 176.694 176.600 -0.280 0.000 1.029 390 E CA 0.045 56.203 56.400 -0.405 0.000 0.865 390 E CB 0.075 29.104 29.700 -1.118 0.000 0.833 390 E HN 0.460 nan 8.360 nan 0.000 0.510 391 E N 0.746 120.911 120.200 -0.058 0.000 2.413 391 E HA 0.054 4.404 4.350 -0.000 0.000 0.263 391 E C -0.218 176.381 176.600 -0.000 0.000 1.015 391 E CA 0.497 56.919 56.400 0.038 0.000 0.916 391 E CB 1.173 30.923 29.700 0.083 0.000 0.947 391 E HN -0.085 nan 8.360 nan 0.000 0.440 392 T N 0.744 115.312 114.554 0.023 0.000 2.893 392 T HA 0.591 4.941 4.350 -0.000 0.000 0.293 392 T C -0.250 174.465 174.700 0.025 0.000 1.027 392 T CA 0.461 62.567 62.100 0.011 0.000 0.988 392 T CB 1.073 69.944 68.868 0.005 0.000 1.043 392 T HN 0.707 nan 8.240 nan 0.000 0.461 393 G N 3.327 112.134 108.800 0.013 0.000 2.829 393 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.628 393 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.628 393 G C -0.504 174.398 174.900 0.005 0.000 1.412 393 G CA -0.093 45.013 45.100 0.009 0.000 0.864 393 G HN 0.855 nan 8.290 nan 0.000 0.544 394 D N 1.309 121.702 120.400 -0.011 0.000 2.943 394 D HA 0.394 5.034 4.640 -0.000 0.000 0.249 394 D C 0.800 177.083 176.300 -0.028 0.000 1.231 394 D CA 0.331 54.312 54.000 -0.030 0.000 0.979 394 D CB -0.542 40.221 40.800 -0.061 0.000 1.053 394 D HN 0.701 nan 8.370 nan 0.000 0.504 395 N N -0.815 117.894 118.700 0.015 0.000 3.039 395 N HA 0.198 4.938 4.740 -0.000 0.000 0.257 395 N C -0.842 174.717 175.510 0.082 0.000 1.497 395 N CA -0.707 52.375 53.050 0.053 0.000 0.861 395 N CB 1.139 39.661 38.487 0.057 0.000 1.479 395 N HN -0.177 nan 8.380 nan 0.000 0.547 396 D N -0.349 120.115 120.400 0.106 0.000 2.501 396 D HA 0.125 4.764 4.640 -0.000 0.000 0.226 396 D C 0.297 176.653 176.300 0.093 0.000 1.198 396 D CA -0.211 53.853 54.000 0.107 0.000 0.830 396 D CB -0.032 40.834 40.800 0.109 0.000 1.014 396 D HN 0.365 nan 8.370 nan 0.000 0.496 397 N N 0.833 119.583 118.700 0.083 0.000 2.037 397 N HA -0.208 4.532 4.740 -0.000 0.000 0.196 397 N C 1.415 176.966 175.510 0.069 0.000 1.034 397 N CA 0.905 53.992 53.050 0.061 0.000 0.861 397 N CB -0.481 38.045 38.487 0.065 0.000 1.039 397 N HN 0.268 nan 8.380 nan 0.000 0.427 398 F N 1.443 121.399 119.950 0.010 0.000 2.134 398 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 398 F C 2.550 178.371 175.800 0.035 0.000 1.097 398 F CA 1.183 59.169 58.000 -0.022 0.000 1.264 398 F CB -0.063 38.917 39.000 -0.033 0.000 1.001 398 F HN -0.063 nan 8.300 nan 0.000 0.479 399 R N -0.052 120.483 120.500 0.058 0.000 2.096 399 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 399 R C 1.993 178.392 176.300 0.165 0.000 1.127 399 R CA 1.764 57.935 56.100 0.118 0.000 0.968 399 R CB -0.539 29.871 30.300 0.183 0.000 0.861 399 R HN 0.291 nan 8.270 nan 0.000 0.440 400 V N 1.243 121.239 119.914 0.136 0.000 2.358 400 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 400 V C 2.113 178.337 176.094 0.216 0.000 1.047 400 V CA 1.961 64.432 62.300 0.285 0.000 1.035 400 V CB -0.357 31.522 31.823 0.093 0.000 0.658 400 V HN 0.370 nan 8.190 nan 0.000 0.452 401 K N -0.121 120.248 120.400 -0.052 0.000 2.097 401 K HA -0.176 4.144 4.320 -0.000 0.000 0.205 401 K C 2.356 178.887 176.600 -0.115 0.000 1.050 401 K CA 1.445 57.668 56.287 -0.107 0.000 0.938 401 K CB -0.245 32.083 32.500 -0.287 0.000 0.718 401 K HN 0.339 nan 8.250 nan 0.000 0.442 402 R N 0.130 120.404 120.500 -0.376 0.000 2.081 402 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 402 R C 1.707 177.924 176.300 -0.138 0.000 1.131 402 R CA 1.569 57.507 56.100 -0.270 0.000 0.960 402 R CB -0.210 29.862 30.300 -0.380 0.000 0.856 402 R HN 0.192 nan 8.270 nan 0.000 0.436 403 Y N 0.157 120.371 120.300 -0.143 0.000 2.286 403 Y HA -0.028 4.522 4.550 -0.000 0.000 0.293 403 Y C 2.109 177.804 175.900 -0.342 0.000 1.124 403 Y CA 1.044 58.986 58.100 -0.263 0.000 1.178 403 Y CB -0.073 38.108 38.460 -0.464 0.000 1.010 403 Y HN 0.081 nan 8.280 nan 0.000 0.536 404 I N -0.456 120.096 120.570 -0.030 0.000 2.493 404 I HA -0.255 3.915 4.170 -0.000 0.000 0.254 404 I C 2.261 178.163 176.117 -0.359 0.000 1.160 404 I CA 1.090 62.283 61.300 -0.177 0.000 1.445 404 I CB -0.097 38.021 38.000 0.197 0.000 1.086 404 I HN 0.194 nan 8.210 nan 0.000 0.433 405 A N 0.562 123.304 122.820 -0.129 0.000 2.015 405 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 405 A C 2.181 179.682 177.584 -0.138 0.000 1.163 405 A CA 1.362 53.338 52.037 -0.101 0.000 0.646 405 A CB -0.408 18.578 19.000 -0.023 0.000 0.806 405 A HN 0.415 nan 8.150 nan 0.000 0.448 406 K N -1.302 119.012 120.400 -0.143 0.000 2.209 406 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 406 K C 1.044 177.669 176.600 0.042 0.000 1.048 406 K CA 1.662 57.922 56.287 -0.045 0.000 0.940 406 K CB -0.236 32.243 32.500 -0.035 0.000 0.729 406 K HN 0.913 nan 8.250 nan 0.000 0.451 407 Y N -1.540 118.757 120.300 -0.005 0.000 2.641 407 Y HA 0.288 4.838 4.550 -0.000 0.000 0.248 407 Y C 1.054 176.995 175.900 0.069 0.000 1.170 407 Y CA -0.238 57.877 58.100 0.025 0.000 1.201 407 Y CB -0.203 38.261 38.460 0.007 0.000 1.232 407 Y HN -0.061 nan 8.280 nan 0.000 0.537 408 T N -2.902 111.598 114.554 -0.091 0.000 3.364 408 T HA 0.126 4.476 4.350 -0.000 0.000 0.179 408 T C 1.265 175.978 174.700 0.023 0.000 0.939 408 T CA 0.626 62.725 62.100 -0.001 0.000 1.094 408 T CB -0.758 68.086 68.868 -0.039 0.000 1.532 408 T HN 0.095 nan 8.240 nan 0.000 0.346 409 I N 3.018 123.585 120.570 -0.005 0.000 2.315 409 I HA 0.015 4.185 4.170 -0.000 0.000 0.248 409 I C 1.879 177.959 176.117 -0.062 0.000 1.117 409 I CA 1.302 62.583 61.300 -0.031 0.000 1.404 409 I CB -0.766 37.155 38.000 -0.132 0.000 1.071 409 I HN 0.245 nan 8.210 nan 0.000 0.419 410 N N 0.812 119.466 118.700 -0.077 0.000 2.120 410 N HA -0.096 4.644 4.740 -0.000 0.000 0.188 410 N C -0.796 174.685 175.510 -0.048 0.000 1.024 410 N CA 1.686 54.691 53.050 -0.076 0.000 0.852 410 N CB -1.838 36.603 38.487 -0.077 0.000 1.003 410 N HN 0.319 nan 8.380 nan 0.000 0.424 411 P HA 0.016 nan 4.420 nan 0.000 0.219 411 P C 1.007 178.339 177.300 0.053 0.000 1.150 411 P CA 1.230 64.354 63.100 0.041 0.000 0.814 411 P CB 0.004 31.752 31.700 0.080 0.000 0.787 412 A N -0.649 122.184 122.820 0.022 0.000 1.898 412 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 412 A C 2.163 179.747 177.584 -0.001 0.000 1.181 412 A CA 1.342 53.383 52.037 0.006 0.000 0.620 412 A CB -1.595 17.413 19.000 0.014 0.000 0.819 412 A HN 0.108 nan 8.150 nan 0.000 0.442 413 L N -0.821 120.391 121.223 -0.020 0.000 2.056 413 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 413 L C 2.766 179.598 176.870 -0.063 0.000 1.078 413 L CA 1.700 56.518 54.840 -0.037 0.000 0.749 413 L CB -0.826 41.197 42.059 -0.061 0.000 0.901 413 L HN 0.333 nan 8.230 nan 0.000 0.433 414 T N -2.056 112.444 114.554 -0.090 0.000 2.759 414 T HA -0.196 4.154 4.350 -0.000 0.000 0.269 414 T C 1.439 175.971 174.700 -0.279 0.000 1.042 414 T CA 1.187 63.173 62.100 -0.191 0.000 1.140 414 T CB -0.247 68.465 68.868 -0.260 0.000 0.864 414 T HN 0.370 nan 8.240 nan 0.000 0.455 415 H N -0.342 118.689 119.070 -0.065 0.000 2.520 415 H HA 0.350 4.906 4.556 -0.000 0.000 0.284 415 H C 1.623 176.908 175.328 -0.072 0.000 1.037 415 H CA 0.319 56.334 56.048 -0.055 0.000 1.168 415 H CB 0.202 29.935 29.762 -0.049 0.000 1.497 415 H HN 0.493 nan 8.280 nan 0.000 0.547 416 G N 2.386 111.186 108.800 -0.000 0.000 2.221 416 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.265 416 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.265 416 G C 0.806 175.759 174.900 0.089 0.000 1.041 416 G CA 0.692 45.812 45.100 0.033 0.000 0.807 416 G HN 0.631 nan 8.290 nan 0.000 0.502 417 I N -4.116 116.450 120.570 -0.007 0.000 4.102 417 I HA 0.676 4.846 4.170 -0.000 0.000 0.325 417 I C 1.708 177.769 176.117 -0.093 0.000 1.471 417 I CA 0.310 61.515 61.300 -0.158 0.000 1.133 417 I CB 0.356 37.984 38.000 -0.621 0.000 1.184 417 I HN 0.122 nan 8.210 nan 0.000 0.451 418 A N 1.657 124.511 122.820 0.058 0.000 2.172 418 A HA -0.152 4.167 4.320 -0.000 0.000 0.216 418 A C 1.973 179.621 177.584 0.106 0.000 1.154 418 A CA 1.694 53.769 52.037 0.064 0.000 0.701 418 A CB -1.260 17.776 19.000 0.059 0.000 0.789 418 A HN 0.853 nan 8.150 nan 0.000 0.465 419 H N -2.935 116.166 119.070 0.052 0.000 2.535 419 H HA 0.214 4.770 4.556 -0.000 0.000 0.273 419 H C 1.485 176.869 175.328 0.094 0.000 0.983 419 H CA 0.902 56.989 56.048 0.064 0.000 1.238 419 H CB 0.209 30.004 29.762 0.055 0.000 1.412 419 H HN 0.372 nan 8.280 nan 0.000 0.562 420 E N 1.057 121.096 120.200 -0.267 0.000 2.228 420 E HA 0.123 4.473 4.350 -0.000 0.000 0.197 420 E C 0.933 177.554 176.600 0.034 0.000 0.909 420 E CA 0.939 57.275 56.400 -0.106 0.000 0.911 420 E CB 0.932 30.585 29.700 -0.078 0.000 0.887 420 E HN 0.389 nan 8.360 nan 0.000 0.481 421 V N -4.646 115.300 119.914 0.053 0.000 3.105 421 V HA 0.856 4.976 4.120 -0.000 0.000 0.311 421 V C 0.882 177.036 176.094 0.099 0.000 1.282 421 V CA -0.163 62.200 62.300 0.105 0.000 1.065 421 V CB 1.164 33.081 31.823 0.156 0.000 1.136 421 V HN 0.326 nan 8.190 nan 0.000 0.469 422 G N -0.121 108.753 108.800 0.124 0.000 2.238 422 G HA2 0.066 4.026 3.960 -0.000 0.000 0.217 422 G HA3 0.066 4.026 3.960 -0.000 0.000 0.217 422 G C 0.274 175.276 174.900 0.170 0.000 0.996 422 G CA 0.639 45.813 45.100 0.123 0.000 0.632 422 G HN 2.457 nan 8.290 nan 0.000 0.503 423 S N -1.224 114.599 115.700 0.204 0.000 2.636 423 S HA 0.654 5.124 4.470 -0.000 0.000 0.266 423 S C -0.785 173.975 174.600 0.267 0.000 1.147 423 S CA -0.668 57.700 58.200 0.280 0.000 0.815 423 S CB 1.173 64.622 63.200 0.416 0.000 1.119 423 S HN 0.779 nan 8.310 nan 0.000 0.470 424 I N 1.588 122.362 120.570 0.340 0.000 2.241 424 I HA 0.397 4.567 4.170 -0.000 0.000 0.294 424 I C -0.109 176.190 176.117 0.304 0.000 1.145 424 I CA 0.160 61.654 61.300 0.322 0.000 1.261 424 I CB -0.141 38.074 38.000 0.358 0.000 1.475 424 I HN 0.568 nan 8.210 nan 0.000 0.533 425 E N 3.897 124.191 120.200 0.157 0.000 2.367 425 E HA 0.359 4.709 4.350 -0.000 0.000 0.273 425 E C -0.707 175.903 176.600 0.017 0.000 0.903 425 E CA -1.039 55.374 56.400 0.021 0.000 0.764 425 E CB 3.189 32.896 29.700 0.012 0.000 1.252 425 E HN 0.281 nan 8.360 nan 0.000 0.446 426 V N -0.064 119.823 119.914 -0.044 0.000 2.788 426 V HA 0.396 4.516 4.120 -0.000 0.000 0.307 426 V C 1.040 177.131 176.094 -0.006 0.000 1.069 426 V CA 1.044 63.320 62.300 -0.040 0.000 1.173 426 V CB 0.167 31.919 31.823 -0.119 0.000 0.925 426 V HN 1.027 nan 8.190 nan 0.000 0.492 427 G N 2.860 111.672 108.800 0.021 0.000 2.225 427 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.254 427 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.254 427 G C 0.329 175.267 174.900 0.062 0.000 0.988 427 G CA 0.434 45.559 45.100 0.042 0.000 0.625 427 G HN 0.905 nan 8.290 nan 0.000 0.527 428 K N -0.019 120.422 120.400 0.069 0.000 2.098 428 K HA 0.572 4.892 4.320 -0.000 0.000 0.257 428 K C 0.297 176.947 176.600 0.083 0.000 0.999 428 K CA -0.951 55.383 56.287 0.079 0.000 0.924 428 K CB 1.420 33.977 32.500 0.095 0.000 1.028 428 K HN 0.130 nan 8.250 nan 0.000 0.466 429 L N 1.827 123.097 121.223 0.078 0.000 2.525 429 L HA -0.034 4.306 4.340 -0.000 0.000 0.278 429 L C -0.002 176.923 176.870 0.091 0.000 1.218 429 L CA 0.768 55.653 54.840 0.075 0.000 0.878 429 L CB 0.414 42.513 42.059 0.066 0.000 1.127 429 L HN 0.747 nan 8.230 nan 0.000 0.492 430 A N 3.971 126.844 122.820 0.088 0.000 3.048 430 A HA 0.173 4.493 4.320 -0.000 0.000 0.264 430 A C -0.346 177.291 177.584 0.089 0.000 1.796 430 A CA -0.394 51.700 52.037 0.094 0.000 1.445 430 A CB -1.151 17.902 19.000 0.089 0.000 1.074 430 A HN 0.686 nan 8.150 nan 0.000 0.621 431 D N 1.399 121.859 120.400 0.100 0.000 2.428 431 D HA 0.537 5.177 4.640 -0.000 0.000 0.221 431 D C -0.338 176.026 176.300 0.107 0.000 1.123 431 D CA 0.458 54.516 54.000 0.097 0.000 0.869 431 D CB 0.910 41.777 40.800 0.111 0.000 1.032 431 D HN 0.397 nan 8.370 nan 0.000 0.506 432 L N 1.163 122.436 121.223 0.084 0.000 2.371 432 L HA 0.643 4.983 4.340 -0.000 0.000 0.262 432 L C -0.574 176.311 176.870 0.025 0.000 1.006 432 L CA -1.196 53.696 54.840 0.086 0.000 0.818 432 L CB 2.439 44.551 42.059 0.089 0.000 1.354 432 L HN -0.093 nan 8.230 nan 0.000 0.415 433 V N 2.189 122.110 119.914 0.011 0.000 2.531 433 V HA 0.431 4.550 4.120 -0.000 0.000 0.301 433 V C -0.304 175.632 176.094 -0.264 0.000 1.034 433 V CA -0.690 61.481 62.300 -0.215 0.000 0.865 433 V CB 2.163 33.792 31.823 -0.323 0.000 0.995 433 V HN 0.415 nan 8.190 nan 0.000 0.424 434 V N 4.038 123.763 119.914 -0.316 0.000 2.394 434 V HA 0.511 4.631 4.120 -0.000 0.000 0.282 434 V C -0.877 175.090 176.094 -0.212 0.000 1.031 434 V CA -0.481 61.741 62.300 -0.130 0.000 0.881 434 V CB 1.279 33.078 31.823 -0.040 0.000 0.982 434 V HN 0.912 nan 8.190 nan 0.000 0.451 435 W N 2.039 123.415 121.300 0.126 0.000 2.819 435 W HA 0.624 5.283 4.660 -0.000 0.000 0.337 435 W C 0.280 176.892 176.519 0.155 0.000 1.077 435 W CA -0.647 56.785 57.345 0.146 0.000 1.226 435 W CB 1.762 31.355 29.460 0.220 0.000 1.419 435 W HN 0.487 nan 8.180 nan 0.000 0.502 436 S N 2.706 118.654 115.700 0.412 0.000 2.545 436 S HA 0.281 4.751 4.470 -0.000 0.000 0.275 436 S C -1.501 173.301 174.600 0.337 0.000 1.299 436 S CA -1.109 57.281 58.200 0.317 0.000 1.048 436 S CB 1.131 64.525 63.200 0.325 0.000 0.938 436 S HN 0.242 nan 8.310 nan 0.000 0.496 437 P HA -0.082 nan 4.420 nan 0.000 0.216 437 P C 1.190 178.514 177.300 0.040 0.000 1.150 437 P CA 1.615 64.761 63.100 0.077 0.000 0.843 437 P CB -0.003 31.692 31.700 -0.009 0.000 0.787 438 A N -2.252 120.603 122.820 0.058 0.000 2.121 438 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 438 A C 1.291 178.724 177.584 -0.252 0.000 1.154 438 A CA 1.164 53.130 52.037 -0.119 0.000 0.679 438 A CB -1.301 17.589 19.000 -0.184 0.000 0.795 438 A HN 0.184 nan 8.150 nan 0.000 0.458 439 F N -2.360 117.665 119.950 0.125 0.000 2.698 439 F HA 0.323 4.850 4.527 -0.000 0.000 0.304 439 F C 0.275 176.069 175.800 -0.010 0.000 1.108 439 F CA -1.132 56.900 58.000 0.053 0.000 1.263 439 F CB 0.099 39.181 39.000 0.137 0.000 1.013 439 F HN 0.158 nan 8.300 nan 0.000 0.532 440 F N 1.472 121.372 119.950 -0.083 0.000 2.623 440 F HA 0.338 4.865 4.527 -0.000 0.000 0.383 440 F C 1.371 176.774 175.800 -0.661 0.000 1.077 440 F CA 1.082 58.819 58.000 -0.438 0.000 1.268 440 F CB 0.453 39.122 39.000 -0.553 0.000 1.053 440 F HN 0.322 nan 8.300 nan 0.000 0.571 441 G N 3.370 110.941 108.800 -2.048 0.000 2.212 441 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.266 441 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.266 441 G C 0.560 175.224 174.900 -0.393 0.000 0.978 441 G CA 0.511 44.834 45.100 -1.296 0.000 0.632 441 G HN 0.760 nan 8.290 nan 0.000 0.537 442 V N -0.722 119.077 119.914 -0.192 0.000 2.721 442 V HA 0.375 4.495 4.120 -0.000 0.000 0.236 442 V C 1.015 177.210 176.094 0.169 0.000 1.116 442 V CA 1.814 64.085 62.300 -0.047 0.000 1.148 442 V CB 0.338 31.886 31.823 -0.458 0.000 0.886 442 V HN 0.273 nan 8.190 nan 0.000 0.490 443 K N 1.117 121.688 120.400 0.284 0.000 2.640 443 K HA 0.437 4.756 4.320 -0.000 0.000 0.245 443 K C -2.916 173.869 176.600 0.308 0.000 0.962 443 K CA -1.612 54.840 56.287 0.275 0.000 0.896 443 K CB 2.521 35.141 32.500 0.201 0.000 1.147 443 K HN 0.155 nan 8.250 nan 0.000 0.445 444 P HA 0.040 nan 4.420 nan 0.000 0.272 444 P C -0.038 177.238 177.300 -0.041 0.000 1.223 444 P CA -0.096 62.851 63.100 -0.255 0.000 0.784 444 P CB 1.024 32.348 31.700 -0.626 0.000 0.923 445 A N 1.310 124.063 122.820 -0.112 0.000 1.984 445 A HA 0.176 4.496 4.320 -0.000 0.000 0.214 445 A C 0.434 177.962 177.584 -0.093 0.000 1.173 445 A CA 1.383 53.370 52.037 -0.083 0.000 0.673 445 A CB -0.332 18.648 19.000 -0.035 0.000 0.830 445 A HN 0.559 nan 8.150 nan 0.000 0.453 446 T N -0.786 113.692 114.554 -0.126 0.000 3.097 446 T HA 0.484 4.834 4.350 -0.000 0.000 0.332 446 T C -1.378 173.243 174.700 -0.132 0.000 1.269 446 T CA -0.407 61.639 62.100 -0.091 0.000 1.076 446 T CB 1.896 70.727 68.868 -0.063 0.000 1.209 446 T HN 0.019 nan 8.240 nan 0.000 0.474 447 V N 3.923 123.790 119.914 -0.078 0.000 2.378 447 V HA 0.519 4.639 4.120 -0.000 0.000 0.288 447 V C -0.342 175.737 176.094 -0.025 0.000 1.016 447 V CA -0.733 61.519 62.300 -0.081 0.000 0.840 447 V CB 1.182 32.962 31.823 -0.070 0.000 0.994 447 V HN 0.780 nan 8.190 nan 0.000 0.431 448 I N 5.013 125.576 120.570 -0.012 0.000 2.336 448 I HA 0.458 4.628 4.170 -0.000 0.000 0.292 448 I C 0.195 176.334 176.117 0.036 0.000 0.991 448 I CA -0.427 60.884 61.300 0.018 0.000 1.227 448 I CB 1.248 39.263 38.000 0.025 0.000 1.366 448 I HN 0.380 nan 8.210 nan 0.000 0.466 449 K N 4.438 124.864 120.400 0.043 0.000 2.394 449 K HA 0.338 4.658 4.320 -0.000 0.000 0.260 449 K C 0.471 177.106 176.600 0.058 0.000 0.967 449 K CA -0.318 56.000 56.287 0.052 0.000 0.855 449 K CB 1.785 34.314 32.500 0.049 0.000 1.101 449 K HN 0.916 nan 8.250 nan 0.000 0.433 450 G N 2.088 110.925 108.800 0.061 0.000 2.321 450 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.287 450 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.287 450 G C 0.737 175.682 174.900 0.074 0.000 1.018 450 G CA 1.020 46.158 45.100 0.064 0.000 0.855 450 G HN 1.071 nan 8.290 nan 0.000 0.507 451 G N -2.159 106.680 108.800 0.065 0.000 2.194 451 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.236 451 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.236 451 G C 0.265 175.190 174.900 0.043 0.000 0.987 451 G CA 0.772 45.906 45.100 0.056 0.000 0.635 451 G HN 1.048 nan 8.290 nan 0.000 0.520 452 M N 0.479 120.108 119.600 0.049 0.000 2.535 452 M HA 0.549 5.029 4.480 -0.000 0.000 0.314 452 M C 0.194 176.523 176.300 0.047 0.000 1.153 452 M CA -0.891 54.437 55.300 0.045 0.000 0.924 452 M CB 2.245 34.880 32.600 0.057 0.000 1.710 452 M HN 0.048 nan 8.290 nan 0.000 0.451 453 I N 1.710 122.309 120.570 0.048 0.000 2.598 453 I HA 0.039 4.208 4.170 -0.000 0.000 0.284 453 I C 0.913 177.058 176.117 0.047 0.000 1.140 453 I CA 0.161 61.484 61.300 0.039 0.000 1.420 453 I CB 1.074 39.096 38.000 0.036 0.000 1.387 453 I HN 0.895 nan 8.210 nan 0.000 0.553 454 A N 7.140 129.977 122.820 0.030 0.000 2.035 454 A HA 0.410 4.730 4.320 -0.000 0.000 0.208 454 A C 0.599 178.190 177.584 0.012 0.000 1.206 454 A CA 0.524 52.575 52.037 0.024 0.000 0.773 454 A CB 0.425 19.441 19.000 0.027 0.000 0.878 454 A HN 0.649 nan 8.150 nan 0.000 0.469 455 I N -2.123 118.459 120.570 0.020 0.000 2.842 455 I HA 0.613 4.783 4.170 -0.000 0.000 0.297 455 I C -1.391 174.766 176.117 0.068 0.000 1.380 455 I CA -0.410 60.917 61.300 0.045 0.000 1.018 455 I CB 2.165 40.207 38.000 0.070 0.000 1.311 455 I HN 0.283 nan 8.210 nan 0.000 0.439 456 A N 5.578 128.440 122.820 0.069 0.000 2.586 456 A HA 0.809 5.129 4.320 -0.000 0.000 0.291 456 A C -3.120 174.323 177.584 -0.235 0.000 1.062 456 A CA -1.157 50.871 52.037 -0.015 0.000 0.666 456 A CB 1.509 20.471 19.000 -0.063 0.000 1.281 456 A HN 0.318 nan 8.150 nan 0.000 0.421 457 P HA 0.519 nan 4.420 nan 0.000 0.276 457 P C -0.775 176.299 177.300 -0.376 0.000 1.230 457 P CA 0.111 62.792 63.100 -0.699 0.000 0.776 457 P CB 0.605 31.904 31.700 -0.668 0.000 0.888 458 M N 3.003 122.388 119.600 -0.357 0.000 2.324 458 M HA 0.592 5.072 4.480 -0.000 0.000 0.288 458 M C -0.241 175.893 176.300 -0.277 0.000 1.097 458 M CA -0.364 54.775 55.300 -0.268 0.000 0.928 458 M CB 1.522 33.980 32.600 -0.237 0.000 1.648 458 M HN 0.405 nan 8.290 nan 0.000 0.460 459 G N 1.273 109.961 108.800 -0.186 0.000 2.510 459 G HA2 0.245 4.205 3.960 -0.000 0.000 0.280 459 G HA3 0.245 4.205 3.960 -0.000 0.000 0.280 459 G C -0.840 173.988 174.900 -0.119 0.000 1.386 459 G CA -0.566 44.449 45.100 -0.142 0.000 1.047 459 G HN 0.749 nan 8.290 nan 0.000 0.527 460 D N -0.102 120.256 120.400 -0.070 0.000 2.793 460 D HA -0.106 4.534 4.640 -0.000 0.000 0.230 460 D C 1.744 178.015 176.300 -0.048 0.000 1.139 460 D CA -0.237 53.737 54.000 -0.044 0.000 0.838 460 D CB 0.284 41.070 40.800 -0.024 0.000 1.149 460 D HN 0.042 nan 8.370 nan 0.000 0.526 461 I N 3.729 124.272 120.570 -0.046 0.000 2.361 461 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 461 I C 1.873 177.976 176.117 -0.023 0.000 1.133 461 I CA 0.984 62.259 61.300 -0.041 0.000 1.413 461 I CB -1.113 36.865 38.000 -0.038 0.000 1.073 461 I HN 0.442 nan 8.210 nan 0.000 0.424 462 N N 0.902 119.592 118.700 -0.016 0.000 2.336 462 N HA 0.124 4.864 4.740 -0.000 0.000 0.189 462 N C 0.679 176.183 175.510 -0.010 0.000 1.113 462 N CA 0.160 53.205 53.050 -0.009 0.000 0.858 462 N CB 0.239 38.723 38.487 -0.005 0.000 0.970 462 N HN 0.269 nan 8.380 nan 0.000 0.471 463 A N -0.441 122.371 122.820 -0.015 0.000 2.386 463 A HA 0.231 4.551 4.320 -0.000 0.000 0.246 463 A C 1.433 179.010 177.584 -0.011 0.000 1.089 463 A CA 0.267 52.295 52.037 -0.014 0.000 0.790 463 A CB 0.034 19.022 19.000 -0.020 0.000 1.042 463 A HN 0.468 nan 8.150 nan 0.000 0.497 464 S N -0.070 115.624 115.700 -0.010 0.000 2.453 464 S HA 0.114 4.584 4.470 -0.000 0.000 0.231 464 S C 0.600 175.195 174.600 -0.007 0.000 1.005 464 S CA 1.039 59.234 58.200 -0.007 0.000 0.949 464 S CB -0.922 62.275 63.200 -0.006 0.000 0.774 464 S HN 0.818 nan 8.310 nan 0.000 0.510 465 I N -2.898 117.664 120.570 -0.012 0.000 3.074 465 I HA 0.465 4.634 4.170 -0.000 0.000 0.310 465 I C -2.506 173.598 176.117 -0.023 0.000 1.153 465 I CA -2.823 58.469 61.300 -0.013 0.000 0.993 465 I CB 1.799 39.792 38.000 -0.013 0.000 1.237 465 I HN -0.344 nan 8.210 nan 0.000 0.443 466 P HA -0.025 nan 4.420 nan 0.000 0.245 466 P C 1.005 178.268 177.300 -0.062 0.000 1.212 466 P CA 0.907 63.980 63.100 -0.045 0.000 0.774 466 P CB 0.063 31.738 31.700 -0.042 0.000 0.999 467 T N -4.526 109.998 114.554 -0.050 0.000 3.051 467 T HA 0.206 4.556 4.350 -0.000 0.000 0.255 467 T C -1.537 173.132 174.700 -0.051 0.000 1.085 467 T CA -0.435 61.632 62.100 -0.056 0.000 1.109 467 T CB -1.883 66.959 68.868 -0.043 0.000 0.921 467 T HN 0.120 nan 8.240 nan 0.000 0.488 468 P HA 0.183 nan 4.420 nan 0.000 0.269 468 P C 0.118 177.398 177.300 -0.033 0.000 1.215 468 P CA -0.168 62.914 63.100 -0.031 0.000 0.780 468 P CB 0.375 32.062 31.700 -0.023 0.000 0.898 469 Q N 2.712 122.500 119.800 -0.020 0.000 2.454 469 Q HA 0.195 4.535 4.340 -0.000 0.000 0.247 469 Q C -1.890 174.114 176.000 0.006 0.000 1.028 469 Q CA -1.151 54.647 55.803 -0.008 0.000 0.910 469 Q CB -0.555 28.183 28.738 0.000 0.000 1.276 469 Q HN 0.399 nan 8.270 nan 0.000 0.489 470 P HA 0.218 nan 4.420 nan 0.000 0.285 470 P C -0.836 176.492 177.300 0.048 0.000 1.259 470 P CA -0.369 62.772 63.100 0.069 0.000 0.794 470 P CB 0.952 32.734 31.700 0.137 0.000 0.940 471 V N 5.136 125.056 119.914 0.010 0.000 2.370 471 V HA 0.367 4.487 4.120 -0.000 0.000 0.279 471 V C 0.150 176.230 176.094 -0.024 0.000 1.029 471 V CA -0.100 62.146 62.300 -0.091 0.000 0.870 471 V CB 0.151 31.894 31.823 -0.133 0.000 0.984 471 V HN 0.881 nan 8.190 nan 0.000 0.451 472 H N 2.078 121.065 119.070 -0.137 0.000 3.037 472 H HA 0.617 5.173 4.556 -0.000 0.000 0.355 472 H C -1.506 173.729 175.328 -0.156 0.000 1.263 472 H CA -1.129 54.858 56.048 -0.101 0.000 1.129 472 H CB 0.691 30.463 29.762 0.018 0.000 1.861 472 H HN 0.373 nan 8.280 nan 0.000 0.546 473 Y N 1.335 121.692 120.300 0.095 0.000 2.632 473 Y HA 0.238 4.788 4.550 -0.000 0.000 0.329 473 Y C 0.627 176.541 175.900 0.023 0.000 1.174 473 Y CA 0.406 58.518 58.100 0.019 0.000 1.469 473 Y CB 0.476 38.954 38.460 0.030 0.000 1.242 473 Y HN 0.390 nan 8.280 nan 0.000 0.540 474 R N 4.225 124.749 120.500 0.040 0.000 2.673 474 R HA 0.408 4.748 4.340 -0.000 0.000 0.281 474 R C -2.985 173.304 176.300 -0.019 0.000 0.991 474 R CA -2.354 53.743 56.100 -0.005 0.000 0.896 474 R CB 1.601 31.830 30.300 -0.118 0.000 1.201 474 R HN 0.318 nan 8.270 nan 0.000 0.457 475 P HA 0.027 nan 4.420 nan 0.000 0.268 475 P C -0.395 176.824 177.300 -0.136 0.000 1.204 475 P CA 0.249 63.317 63.100 -0.054 0.000 0.768 475 P CB 0.611 32.279 31.700 -0.053 0.000 0.842 476 M N 1.831 121.355 119.600 -0.127 0.000 2.734 476 M HA 0.336 4.816 4.480 -0.000 0.000 0.264 476 M C 1.376 177.542 176.300 -0.222 0.000 1.080 476 M CA -0.659 54.512 55.300 -0.215 0.000 0.981 476 M CB -0.488 32.071 32.600 -0.070 0.000 1.514 476 M HN 0.232 nan 8.290 nan 0.000 0.569 477 F N 0.529 120.463 119.950 -0.026 0.000 2.269 477 F HA -0.055 4.472 4.527 -0.000 0.000 0.301 477 F C 2.231 178.013 175.800 -0.031 0.000 1.082 477 F CA 1.388 59.369 58.000 -0.031 0.000 1.360 477 F CB -0.868 38.111 39.000 -0.034 0.000 1.041 477 F HN 0.739 nan 8.300 nan 0.000 0.512 478 G N -0.657 108.221 108.800 0.131 0.000 2.598 478 G HA2 0.027 3.986 3.960 -0.000 0.000 0.215 478 G HA3 0.027 3.986 3.960 -0.000 0.000 0.215 478 G C 1.534 176.454 174.900 0.033 0.000 1.131 478 G CA 0.600 45.746 45.100 0.075 0.000 0.785 478 G HN 0.420 nan 8.290 nan 0.000 0.539 479 A N -0.280 122.544 122.820 0.007 0.000 2.348 479 A HA 0.585 4.905 4.320 -0.000 0.000 0.224 479 A C 0.660 178.219 177.584 -0.041 0.000 1.227 479 A CA -0.303 51.725 52.037 -0.016 0.000 0.885 479 A CB 0.113 19.100 19.000 -0.021 0.000 0.933 479 A HN 0.252 nan 8.150 nan 0.000 0.506 480 L N -0.260 120.941 121.223 -0.037 0.000 2.289 480 L HA 0.486 4.825 4.340 -0.000 0.000 0.285 480 L C 1.658 178.465 176.870 -0.105 0.000 1.049 480 L CA -0.196 54.613 54.840 -0.053 0.000 0.804 480 L CB 1.026 43.081 42.059 -0.007 0.000 1.195 480 L HN 0.504 nan 8.230 nan 0.000 0.428 481 G N 2.276 110.988 108.800 -0.147 0.000 2.668 481 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.429 481 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.429 481 G C 1.144 175.754 174.900 -0.484 0.000 1.182 481 G CA 0.998 45.946 45.100 -0.253 0.000 0.911 481 G HN 0.635 nan 8.290 nan 0.000 0.631 482 S N 0.651 116.193 115.700 -0.263 0.000 2.419 482 S HA 0.075 4.545 4.470 -0.000 0.000 0.233 482 S C 2.734 177.297 174.600 -0.062 0.000 1.016 482 S CA 1.779 59.893 58.200 -0.143 0.000 0.974 482 S CB -0.498 62.711 63.200 0.016 0.000 0.786 482 S HN 1.155 nan 8.310 nan 0.000 0.492 483 A N 1.891 124.676 122.820 -0.057 0.000 1.898 483 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 483 A C 2.078 179.678 177.584 0.026 0.000 1.181 483 A CA 1.313 53.353 52.037 0.004 0.000 0.620 483 A CB -0.520 18.492 19.000 0.020 0.000 0.819 483 A HN 0.425 nan 8.150 nan 0.000 0.442 484 R N -0.647 119.817 120.500 -0.061 0.000 2.083 484 R HA -0.203 4.137 4.340 -0.000 0.000 0.237 484 R C 1.956 178.280 176.300 0.040 0.000 1.137 484 R CA 2.080 58.156 56.100 -0.041 0.000 0.951 484 R CB -0.608 29.626 30.300 -0.111 0.000 0.851 484 R HN 0.792 nan 8.270 nan 0.000 0.434 485 H N -2.109 116.983 119.070 0.037 0.000 2.387 485 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 485 H C 1.954 177.293 175.328 0.018 0.000 1.099 485 H CA 1.585 57.642 56.048 0.015 0.000 1.315 485 H CB -0.130 29.642 29.762 0.016 0.000 1.380 485 H HN 0.449 nan 8.280 nan 0.000 0.513 486 H N -0.793 118.336 119.070 0.099 0.000 2.529 486 H HA 0.018 4.574 4.556 -0.000 0.000 0.277 486 H C 1.141 176.485 175.328 0.026 0.000 0.999 486 H CA 0.917 56.994 56.048 0.048 0.000 1.256 486 H CB 0.252 30.033 29.762 0.031 0.000 1.402 486 H HN 0.307 nan 8.280 nan 0.000 0.566 487 C N 1.140 120.510 119.300 0.116 0.000 3.038 487 C HA 0.287 4.747 4.460 -0.000 0.000 0.279 487 C C 0.612 175.617 174.990 0.026 0.000 1.276 487 C CA -0.401 58.662 59.018 0.075 0.000 1.697 487 C CB -1.066 26.729 27.740 0.092 0.000 2.032 487 C HN 0.517 nan 8.230 nan 0.000 0.636 488 R N 0.149 120.650 120.500 0.002 0.000 2.888 488 R HA 0.843 5.183 4.340 -0.000 0.000 0.266 488 R C -1.559 174.676 176.300 -0.108 0.000 1.020 488 R CA -0.651 55.432 56.100 -0.028 0.000 0.963 488 R CB 0.977 31.279 30.300 0.004 0.000 1.197 488 R HN 0.090 nan 8.270 nan 0.000 0.481 489 L N 0.743 121.850 121.223 -0.194 0.000 2.362 489 L HA 0.479 4.819 4.340 -0.000 0.000 0.271 489 L C -0.630 175.967 176.870 -0.455 0.000 1.002 489 L CA -0.917 53.698 54.840 -0.376 0.000 0.818 489 L CB 2.740 44.430 42.059 -0.616 0.000 1.298 489 L HN 0.736 nan 8.230 nan 0.000 0.420 490 T N 2.208 116.529 114.554 -0.388 0.000 2.770 490 T HA 0.513 4.863 4.350 -0.000 0.000 0.283 490 T C -0.478 174.044 174.700 -0.298 0.000 0.988 490 T CA -0.255 61.685 62.100 -0.267 0.000 0.957 490 T CB 0.309 69.093 68.868 -0.141 0.000 0.930 490 T HN 0.095 nan 8.240 nan 0.000 0.443 491 F N 3.292 123.258 119.950 0.026 0.000 2.396 491 F HA 0.529 5.056 4.527 -0.000 0.000 0.343 491 F C 0.454 176.277 175.800 0.039 0.000 1.104 491 F CA -0.758 57.266 58.000 0.040 0.000 1.161 491 F CB 0.645 39.681 39.000 0.060 0.000 1.146 491 F HN 0.185 nan 8.300 nan 0.000 0.522 492 L N 1.729 123.085 121.223 0.221 0.000 2.309 492 L HA 0.514 4.854 4.340 -0.000 0.000 0.261 492 L C -0.153 176.797 176.870 0.133 0.000 1.021 492 L CA -1.076 53.844 54.840 0.133 0.000 0.823 492 L CB 2.393 44.495 42.059 0.072 0.000 1.366 492 L HN 0.646 nan 8.230 nan 0.000 0.423 493 S N -0.507 115.248 115.700 0.091 0.000 2.617 493 S HA 0.184 4.654 4.470 -0.000 0.000 0.269 493 S C 0.529 175.164 174.600 0.058 0.000 1.292 493 S CA -0.566 57.677 58.200 0.073 0.000 1.010 493 S CB 1.437 64.668 63.200 0.051 0.000 0.944 493 S HN 0.689 nan 8.310 nan 0.000 0.536 494 Q N 1.030 120.859 119.800 0.047 0.000 2.135 494 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 494 Q C 2.463 178.477 176.000 0.023 0.000 0.981 494 Q CA 1.736 57.559 55.803 0.033 0.000 0.856 494 Q CB -0.627 28.123 28.738 0.020 0.000 0.902 494 Q HN 0.932 nan 8.270 nan 0.000 0.425 495 A N 0.942 123.774 122.820 0.020 0.000 1.898 495 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 495 A C 2.293 179.885 177.584 0.014 0.000 1.181 495 A CA 1.532 53.577 52.037 0.014 0.000 0.620 495 A CB -0.818 18.189 19.000 0.011 0.000 0.819 495 A HN 0.403 nan 8.150 nan 0.000 0.442 496 A N -0.068 122.763 122.820 0.019 0.000 1.902 496 A HA 0.160 4.480 4.320 -0.000 0.000 0.217 496 A C 2.522 180.113 177.584 0.012 0.000 1.181 496 A CA 2.125 54.171 52.037 0.015 0.000 0.623 496 A CB -1.078 17.934 19.000 0.020 0.000 0.818 496 A HN 1.057 nan 8.150 nan 0.000 0.443 497 A N -0.049 122.783 122.820 0.020 0.000 1.883 497 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 497 A C 2.522 180.111 177.584 0.009 0.000 1.186 497 A CA 2.359 54.405 52.037 0.016 0.000 0.624 497 A CB -1.099 17.918 19.000 0.029 0.000 0.822 497 A HN 1.124 nan 8.150 nan 0.000 0.444 498 A N -0.055 122.771 122.820 0.010 0.000 1.933 498 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 498 A C 1.709 179.294 177.584 0.002 0.000 1.175 498 A CA 1.634 53.675 52.037 0.006 0.000 0.628 498 A CB -0.559 18.444 19.000 0.006 0.000 0.814 498 A HN 0.532 nan 8.150 nan 0.000 0.444 499 N N -0.414 118.287 118.700 0.002 0.000 2.521 499 N HA 0.081 4.821 4.740 -0.000 0.000 0.188 499 N C 1.109 176.616 175.510 -0.005 0.000 1.146 499 N CA 1.051 54.100 53.050 -0.001 0.000 0.893 499 N CB -0.086 38.400 38.487 -0.001 0.000 0.975 499 N HN 0.668 nan 8.380 nan 0.000 0.451 500 G N 0.029 108.825 108.800 -0.006 0.000 2.176 500 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.252 500 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.252 500 G C 1.005 175.895 174.900 -0.017 0.000 1.024 500 G CA 0.409 45.503 45.100 -0.011 0.000 0.755 500 G HN 0.213 nan 8.290 nan 0.000 0.507 501 V N 0.109 120.013 119.914 -0.016 0.000 2.332 501 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 501 V C 3.222 179.295 176.094 -0.036 0.000 1.055 501 V CA 3.147 65.432 62.300 -0.024 0.000 1.038 501 V CB -0.930 30.882 31.823 -0.019 0.000 0.651 501 V HN 1.016 nan 8.190 nan 0.000 0.450 502 A N -0.223 122.576 122.820 -0.035 0.000 1.902 502 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 502 A C 2.108 179.662 177.584 -0.050 0.000 1.181 502 A CA 2.009 54.017 52.037 -0.048 0.000 0.623 502 A CB -0.434 18.538 19.000 -0.046 0.000 0.818 502 A HN 0.561 nan 8.150 nan 0.000 0.443 503 E N -0.647 119.531 120.200 -0.038 0.000 2.072 503 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 503 E C 2.137 178.716 176.600 -0.036 0.000 0.982 503 E CA 1.127 57.506 56.400 -0.035 0.000 0.803 503 E CB -0.272 29.414 29.700 -0.025 0.000 0.755 503 E HN 0.628 nan 8.360 nan 0.000 0.453 504 R N 0.343 120.823 120.500 -0.034 0.000 2.073 504 R HA -0.026 4.314 4.340 -0.000 0.000 0.234 504 R C 1.781 178.053 176.300 -0.047 0.000 1.134 504 R CA 1.096 57.175 56.100 -0.035 0.000 0.952 504 R CB -0.175 30.107 30.300 -0.030 0.000 0.850 504 R HN 0.195 nan 8.270 nan 0.000 0.433 505 L N 0.648 121.836 121.223 -0.059 0.000 2.554 505 L HA 0.034 4.374 4.340 -0.000 0.000 0.226 505 L C 0.548 177.370 176.870 -0.081 0.000 1.137 505 L CA 0.158 54.951 54.840 -0.078 0.000 0.863 505 L CB -0.357 41.647 42.059 -0.092 0.000 0.985 505 L HN 0.445 nan 8.230 nan 0.000 0.451 506 N N 1.287 119.945 118.700 -0.070 0.000 2.738 506 N HA -0.182 4.558 4.740 -0.000 0.000 0.249 506 N C -0.448 175.001 175.510 -0.101 0.000 1.047 506 N CA -0.116 52.890 53.050 -0.073 0.000 0.707 506 N CB -0.409 38.041 38.487 -0.062 0.000 0.937 506 N HN 0.048 nan 8.380 nan 0.000 0.545 507 L N 1.423 122.581 121.223 -0.109 0.000 2.455 507 L HA 0.083 4.423 4.340 -0.000 0.000 0.272 507 L C 1.805 178.571 176.870 -0.175 0.000 1.174 507 L CA 0.714 55.466 54.840 -0.145 0.000 0.869 507 L CB 0.935 42.920 42.059 -0.124 0.000 1.130 507 L HN 0.168 nan 8.230 nan 0.000 0.474 508 R N 0.360 120.688 120.500 -0.287 0.000 2.223 508 R HA 0.172 4.512 4.340 -0.000 0.000 0.198 508 R C 0.594 176.730 176.300 -0.275 0.000 0.984 508 R CA 0.158 56.050 56.100 -0.346 0.000 1.018 508 R CB 0.016 29.918 30.300 -0.663 0.000 0.945 508 R HN 0.621 nan 8.270 nan 0.000 0.479 509 S N 0.371 115.917 115.700 -0.256 0.000 2.624 509 S HA 0.507 4.977 4.470 -0.000 0.000 0.263 509 S C 0.158 174.687 174.600 -0.117 0.000 1.287 509 S CA -0.506 57.624 58.200 -0.117 0.000 0.990 509 S CB 1.104 64.248 63.200 -0.094 0.000 0.950 509 S HN 0.382 nan 8.310 nan 0.000 0.561 510 A N 1.406 124.151 122.820 -0.125 0.000 2.445 510 A HA 0.451 4.771 4.320 -0.000 0.000 0.242 510 A C -0.141 177.348 177.584 -0.159 0.000 1.075 510 A CA -0.140 51.807 52.037 -0.149 0.000 0.777 510 A CB -0.197 18.693 19.000 -0.184 0.000 1.013 510 A HN 0.583 nan 8.150 nan 0.000 0.493 511 I N 0.712 121.205 120.570 -0.127 0.000 2.493 511 I HA 0.628 4.798 4.170 -0.000 0.000 0.298 511 I C 0.488 176.550 176.117 -0.092 0.000 0.998 511 I CA -0.179 61.051 61.300 -0.117 0.000 1.137 511 I CB 1.235 39.196 38.000 -0.064 0.000 1.310 511 I HN 0.754 nan 8.210 nan 0.000 0.445 512 A N 5.743 128.507 122.820 -0.093 0.000 2.435 512 A HA 0.814 5.134 4.320 -0.000 0.000 0.304 512 A C -1.121 176.598 177.584 0.226 0.000 1.064 512 A CA -0.515 51.556 52.037 0.055 0.000 0.727 512 A CB 1.776 20.773 19.000 -0.006 0.000 1.284 512 A HN 0.366 nan 8.150 nan 0.000 0.415 513 V N 1.820 121.908 119.914 0.291 0.000 2.581 513 V HA 0.564 4.684 4.120 -0.000 0.000 0.303 513 V C 0.351 176.649 176.094 0.340 0.000 1.041 513 V CA -0.529 61.926 62.300 0.259 0.000 0.907 513 V CB 1.566 33.478 31.823 0.148 0.000 0.994 513 V HN 1.074 nan 8.190 nan 0.000 0.442 514 V N 2.605 122.667 119.914 0.247 0.000 2.686 514 V HA 0.824 4.944 4.120 -0.000 0.000 0.295 514 V C -0.401 175.748 176.094 0.091 0.000 1.057 514 V CA -0.492 61.928 62.300 0.200 0.000 1.012 514 V CB 1.061 32.947 31.823 0.105 0.000 1.006 514 V HN 1.075 nan 8.190 nan 0.000 0.477 515 K N 1.890 122.312 120.400 0.038 0.000 2.587 515 K HA 0.704 5.024 4.320 -0.000 0.000 0.276 515 K C 0.110 176.682 176.600 -0.045 0.000 0.956 515 K CA -0.562 55.700 56.287 -0.043 0.000 0.857 515 K CB 1.443 33.867 32.500 -0.126 0.000 1.431 515 K HN 1.969 nan 8.250 nan 0.000 0.420 516 G N 0.681 109.453 108.800 -0.046 0.000 2.160 516 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 516 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 516 G C 0.525 175.399 174.900 -0.043 0.000 1.022 516 G CA 0.139 45.213 45.100 -0.043 0.000 0.741 516 G HN 0.665 nan 8.290 nan 0.000 0.508 517 C N -0.386 118.886 119.300 -0.046 0.000 2.495 517 C HA 0.153 4.613 4.460 -0.000 0.000 0.275 517 C C 2.570 177.515 174.990 -0.075 0.000 1.392 517 C CA 0.959 59.934 59.018 -0.072 0.000 1.766 517 C CB -0.438 27.259 27.740 -0.072 0.000 1.933 517 C HN 0.585 nan 8.230 nan 0.000 0.519 518 R N 1.236 121.702 120.500 -0.056 0.000 2.210 518 R HA -0.011 4.329 4.340 -0.000 0.000 0.203 518 R C 2.003 178.275 176.300 -0.047 0.000 1.010 518 R CA 1.605 57.674 56.100 -0.051 0.000 1.008 518 R CB -1.279 28.997 30.300 -0.040 0.000 0.923 518 R HN 0.703 nan 8.270 nan 0.000 0.469 519 T N -1.245 113.283 114.554 -0.045 0.000 3.081 519 T HA 0.103 4.453 4.350 -0.000 0.000 0.250 519 T C 1.109 175.783 174.700 -0.042 0.000 1.100 519 T CA -0.184 61.893 62.100 -0.039 0.000 1.038 519 T CB -0.333 68.515 68.868 -0.033 0.000 0.962 519 T HN -0.029 nan 8.240 nan 0.000 0.516 520 V N 1.547 121.429 119.914 -0.053 0.000 2.686 520 V HA 0.564 4.684 4.120 -0.000 0.000 0.295 520 V C -0.320 175.739 176.094 -0.058 0.000 1.055 520 V CA -1.028 61.237 62.300 -0.058 0.000 1.050 520 V CB 0.588 32.365 31.823 -0.076 0.000 0.984 520 V HN 0.696 nan 8.190 nan 0.000 0.482 521 Q N 1.954 121.724 119.800 -0.050 0.000 2.605 521 Q HA 0.534 4.874 4.340 -0.000 0.000 0.296 521 Q C 0.385 176.360 176.000 -0.043 0.000 1.056 521 Q CA -1.107 54.670 55.803 -0.042 0.000 0.778 521 Q CB 1.620 30.342 28.738 -0.028 0.000 1.497 521 Q HN 0.375 nan 8.270 nan 0.000 0.443 522 K N 0.811 121.191 120.400 -0.033 0.000 2.113 522 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 522 K C 1.741 178.326 176.600 -0.025 0.000 1.047 522 K CA 2.378 58.647 56.287 -0.030 0.000 0.928 522 K CB -0.843 31.648 32.500 -0.015 0.000 0.716 522 K HN 0.674 nan 8.250 nan 0.000 0.446 523 A N 0.465 123.274 122.820 -0.019 0.000 2.125 523 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 523 A C 1.328 178.899 177.584 -0.023 0.000 1.156 523 A CA 1.785 53.814 52.037 -0.014 0.000 0.671 523 A CB -0.350 18.644 19.000 -0.009 0.000 0.794 523 A HN 0.391 nan 8.150 nan 0.000 0.459 524 D N -0.557 119.821 120.400 -0.037 0.000 2.348 524 D HA 0.035 4.675 4.640 -0.000 0.000 0.211 524 D C 0.356 176.612 176.300 -0.073 0.000 0.998 524 D CA 0.263 54.233 54.000 -0.050 0.000 0.873 524 D CB -0.110 40.660 40.800 -0.051 0.000 0.925 524 D HN 0.281 nan 8.370 nan 0.000 0.524 525 M N 1.846 121.405 119.600 -0.068 0.000 2.364 525 M HA 0.049 4.529 4.480 -0.000 0.000 0.342 525 M C 0.004 176.244 176.300 -0.100 0.000 1.601 525 M CA -0.153 55.097 55.300 -0.084 0.000 1.156 525 M CB 0.565 33.127 32.600 -0.064 0.000 1.912 525 M HN -0.318 nan 8.290 nan 0.000 0.460 526 V N 6.565 126.372 119.914 -0.177 0.000 2.475 526 V HA -0.107 4.012 4.120 -0.000 0.000 0.292 526 V C 1.151 177.118 176.094 -0.213 0.000 1.003 526 V CA 0.434 62.548 62.300 -0.309 0.000 1.120 526 V CB -0.974 30.549 31.823 -0.499 0.000 0.937 526 V HN 0.899 nan 8.190 nan 0.000 0.476 527 H N 2.706 121.804 119.070 0.046 0.000 3.366 527 H HA -0.161 4.395 4.556 -0.000 0.000 0.233 527 H C 0.619 175.980 175.328 0.055 0.000 1.102 527 H CA 1.347 57.454 56.048 0.097 0.000 1.184 527 H CB -1.323 28.427 29.762 -0.021 0.000 1.216 527 H HN 0.855 nan 8.280 nan 0.000 0.317 528 N N 0.037 118.794 118.700 0.095 0.000 2.664 528 N HA 0.120 4.860 4.740 -0.000 0.000 0.287 528 N C 0.229 175.757 175.510 0.032 0.000 1.869 528 N CA 0.663 53.744 53.050 0.053 0.000 0.832 528 N CB 0.967 39.460 38.487 0.010 0.000 1.293 528 N HN 0.296 nan 8.380 nan 0.000 0.498 529 S N -0.748 114.980 115.700 0.048 0.000 2.593 529 S HA 0.148 4.618 4.470 -0.000 0.000 0.236 529 S C 0.466 175.084 174.600 0.030 0.000 0.991 529 S CA -0.402 57.814 58.200 0.027 0.000 0.963 529 S CB 0.283 63.498 63.200 0.024 0.000 0.865 529 S HN 0.243 nan 8.310 nan 0.000 0.488 530 L N 2.671 123.919 121.223 0.042 0.000 2.490 530 L HA 0.283 4.623 4.340 -0.000 0.000 0.274 530 L C -0.086 176.799 176.870 0.025 0.000 1.201 530 L CA 1.009 55.870 54.840 0.036 0.000 0.869 530 L CB 0.365 42.450 42.059 0.043 0.000 1.123 530 L HN 0.306 nan 8.230 nan 0.000 0.484 531 Q N 6.864 126.670 119.800 0.010 0.000 2.700 531 Q HA 0.375 4.715 4.340 -0.000 0.000 0.249 531 Q C -2.241 173.750 176.000 -0.014 0.000 1.033 531 Q CA -1.720 54.079 55.803 -0.007 0.000 0.804 531 Q CB 1.014 29.737 28.738 -0.025 0.000 1.164 531 Q HN 0.551 nan 8.270 nan 0.000 0.500 532 P HA 0.046 nan 4.420 nan 0.000 0.277 532 P C -0.574 176.713 177.300 -0.022 0.000 1.240 532 P CA -0.430 62.667 63.100 -0.005 0.000 0.798 532 P CB 0.864 32.570 31.700 0.009 0.000 0.979 533 N N 2.443 121.129 118.700 -0.022 0.000 2.663 533 N HA 0.161 4.901 4.740 -0.000 0.000 0.250 533 N C -0.625 174.876 175.510 -0.016 0.000 1.129 533 N CA -0.278 52.754 53.050 -0.030 0.000 0.995 533 N CB -0.951 37.521 38.487 -0.026 0.000 1.324 533 N HN 0.419 nan 8.380 nan 0.000 0.512 534 I N 2.153 122.717 120.570 -0.010 0.000 2.437 534 I HA 0.494 4.664 4.170 -0.000 0.000 0.298 534 I C -0.414 175.708 176.117 0.009 0.000 0.984 534 I CA -0.360 60.943 61.300 0.005 0.000 1.214 534 I CB 1.280 39.294 38.000 0.023 0.000 1.365 534 I HN 0.490 nan 8.210 nan 0.000 0.469 535 T N 3.835 118.394 114.554 0.009 0.000 2.906 535 T HA 0.682 5.032 4.350 -0.000 0.000 0.295 535 T C -0.952 173.757 174.700 0.015 0.000 1.061 535 T CA -0.715 61.391 62.100 0.011 0.000 1.000 535 T CB 1.835 70.705 68.868 0.003 0.000 1.103 535 T HN 0.288 nan 8.240 nan 0.000 0.486 536 V N 1.941 121.866 119.914 0.019 0.000 2.531 536 V HA 0.397 4.517 4.120 -0.000 0.000 0.301 536 V C -0.446 175.671 176.094 0.038 0.000 1.034 536 V CA -0.880 61.439 62.300 0.032 0.000 0.865 536 V CB 1.710 33.552 31.823 0.033 0.000 0.995 536 V HN 1.059 nan 8.190 nan 0.000 0.424 537 D N 3.601 124.032 120.400 0.051 0.000 2.358 537 D HA 0.235 4.875 4.640 -0.000 0.000 0.258 537 D C 1.119 177.470 176.300 0.085 0.000 1.223 537 D CA 0.454 54.477 54.000 0.039 0.000 0.886 537 D CB 2.051 42.860 40.800 0.015 0.000 1.120 537 D HN 0.664 nan 8.370 nan 0.000 0.482 538 A N 4.321 127.170 122.820 0.049 0.000 1.986 538 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 538 A C 1.910 179.541 177.584 0.079 0.000 1.171 538 A CA 1.654 53.736 52.037 0.076 0.000 0.640 538 A CB -0.125 18.866 19.000 -0.015 0.000 0.811 538 A HN 0.660 nan 8.150 nan 0.000 0.451 539 Q N -1.165 118.610 119.800 -0.041 0.000 2.107 539 Q HA -0.019 4.321 4.340 -0.000 0.000 0.195 539 Q C 2.255 178.018 176.000 -0.395 0.000 0.964 539 Q CA 1.782 57.484 55.803 -0.167 0.000 0.833 539 Q CB -0.378 28.292 28.738 -0.113 0.000 0.910 539 Q HN 0.765 nan 8.270 nan 0.000 0.465 540 T N -3.093 111.310 114.554 -0.252 0.000 3.067 540 T HA -0.038 4.311 4.350 -0.000 0.000 0.257 540 T C -0.093 174.493 174.700 -0.190 0.000 1.105 540 T CA 0.255 62.196 62.100 -0.265 0.000 1.104 540 T CB -0.029 68.771 68.868 -0.113 0.000 0.925 540 T HN 0.279 nan 8.240 nan 0.000 0.498 541 Y N 0.442 120.725 120.300 -0.029 0.000 4.907 541 Y HA -0.186 4.364 4.550 -0.000 0.000 0.246 541 Y C 0.275 176.153 175.900 -0.037 0.000 0.968 541 Y CA -0.250 57.830 58.100 -0.033 0.000 1.961 541 Y CB -2.859 35.578 38.460 -0.038 0.000 1.487 541 Y HN 0.515 nan 8.280 nan 0.000 0.575 542 E N 0.416 120.672 120.200 0.093 0.000 2.414 542 E HA 0.333 4.683 4.350 -0.000 0.000 0.263 542 E C 0.009 176.627 176.600 0.031 0.000 1.000 542 E CA -0.048 56.376 56.400 0.040 0.000 0.914 542 E CB 1.063 30.770 29.700 0.012 0.000 0.948 542 E HN 0.022 nan 8.360 nan 0.000 0.444 543 V N 4.640 124.560 119.914 0.010 0.000 2.394 543 V HA 0.350 4.470 4.120 -0.000 0.000 0.282 543 V C 0.112 176.204 176.094 -0.005 0.000 1.031 543 V CA -0.404 61.896 62.300 0.000 0.000 0.881 543 V CB 1.119 32.930 31.823 -0.020 0.000 0.982 543 V HN 0.605 nan 8.190 nan 0.000 0.451 544 R N 3.052 123.551 120.500 -0.001 0.000 2.628 544 R HA 0.764 5.104 4.340 -0.000 0.000 0.288 544 R C -1.670 174.628 176.300 -0.004 0.000 0.980 544 R CA -0.724 55.374 56.100 -0.004 0.000 0.891 544 R CB 2.637 32.936 30.300 -0.002 0.000 1.188 544 R HN 0.488 nan 8.270 nan 0.000 0.450 545 V N 3.205 123.116 119.914 -0.006 0.000 2.378 545 V HA 0.166 4.286 4.120 -0.000 0.000 0.288 545 V C -0.285 175.806 176.094 -0.005 0.000 1.016 545 V CA -0.497 61.800 62.300 -0.005 0.000 0.840 545 V CB 1.503 33.322 31.823 -0.006 0.000 0.994 545 V HN 0.870 nan 8.190 nan 0.000 0.431 546 D N 4.376 124.772 120.400 -0.006 0.000 2.837 546 D HA -0.205 4.435 4.640 -0.000 0.000 0.230 546 D C 1.361 177.658 176.300 -0.005 0.000 1.152 546 D CA 1.736 55.732 54.000 -0.006 0.000 0.736 546 D CB -1.059 39.738 40.800 -0.005 0.000 1.084 546 D HN 1.356 nan 8.370 nan 0.000 0.429 547 G N -0.029 108.768 108.800 -0.005 0.000 2.304 547 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.252 547 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.252 547 G C 0.167 175.065 174.900 -0.003 0.000 1.014 547 G CA 0.833 45.931 45.100 -0.004 0.000 0.619 547 G HN 0.718 nan 8.290 nan 0.000 0.525 548 E N 0.985 121.183 120.200 -0.003 0.000 2.331 548 E HA 0.566 4.916 4.350 -0.000 0.000 0.272 548 E C 0.069 176.667 176.600 -0.003 0.000 1.036 548 E CA -0.997 55.401 56.400 -0.002 0.000 0.864 548 E CB 1.601 31.301 29.700 -0.001 0.000 1.035 548 E HN 0.408 nan 8.360 nan 0.000 0.408 549 L N 4.087 125.309 121.223 -0.002 0.000 2.367 549 L HA 0.195 4.535 4.340 -0.000 0.000 0.275 549 L C -0.826 176.041 176.870 -0.005 0.000 1.129 549 L CA -0.169 54.669 54.840 -0.003 0.000 0.839 549 L CB 0.551 42.609 42.059 -0.001 0.000 1.133 549 L HN 0.568 nan 8.230 nan 0.000 0.453 550 I N 5.175 125.738 120.570 -0.012 0.000 2.339 550 I HA 0.490 4.660 4.170 -0.000 0.000 0.290 550 I C 0.294 176.398 176.117 -0.022 0.000 0.994 550 I CA -0.060 61.229 61.300 -0.018 0.000 1.191 550 I CB 0.768 38.749 38.000 -0.033 0.000 1.343 550 I HN 0.703 nan 8.210 nan 0.000 0.458 551 T N 4.105 118.653 114.554 -0.009 0.000 2.718 551 T HA 0.711 5.061 4.350 -0.000 0.000 0.306 551 T C -1.098 173.620 174.700 0.030 0.000 1.485 551 T CA -0.280 61.818 62.100 -0.002 0.000 0.997 551 T CB 1.505 70.379 68.868 0.009 0.000 1.504 551 T HN 0.790 nan 8.240 nan 0.000 0.497 552 S N 0.831 116.574 115.700 0.073 0.000 2.643 552 S HA 0.764 5.234 4.470 -0.000 0.000 0.270 552 S C -1.833 172.886 174.600 0.199 0.000 1.166 552 S CA -0.976 57.294 58.200 0.117 0.000 0.815 552 S CB 1.844 65.117 63.200 0.122 0.000 1.139 552 S HN 0.631 nan 8.310 nan 0.000 0.472 553 E N 1.853 122.135 120.200 0.136 0.000 2.204 553 E HA 0.534 4.884 4.350 -0.000 0.000 0.276 553 E C -2.610 173.949 176.600 -0.069 0.000 0.974 553 E CA -2.235 54.206 56.400 0.068 0.000 0.815 553 E CB 1.504 31.213 29.700 0.015 0.000 1.119 553 E HN 0.498 nan 8.360 nan 0.000 0.393 554 P HA 0.153 nan 4.420 nan 0.000 0.276 554 P C -0.852 176.274 177.300 -0.289 0.000 1.230 554 P CA -0.291 62.385 63.100 -0.705 0.000 0.776 554 P CB 0.874 31.936 31.700 -1.064 0.000 0.888 555 A N 3.271 125.978 122.820 -0.189 0.000 2.388 555 A HA 0.207 4.527 4.320 -0.000 0.000 0.257 555 A C 1.258 178.797 177.584 -0.075 0.000 1.095 555 A CA -0.369 51.622 52.037 -0.077 0.000 0.791 555 A CB 0.058 19.053 19.000 -0.009 0.000 1.029 555 A HN 0.668 nan 8.150 nan 0.000 0.489 556 D N 0.783 121.159 120.400 -0.041 0.000 2.338 556 D HA 0.078 4.717 4.640 -0.000 0.000 0.208 556 D C 0.072 176.366 176.300 -0.010 0.000 0.997 556 D CA 0.593 54.574 54.000 -0.031 0.000 0.880 556 D CB 0.059 40.844 40.800 -0.024 0.000 0.980 556 D HN 0.200 nan 8.370 nan 0.000 0.509 557 V N 0.906 120.823 119.914 0.005 0.000 2.808 557 V HA 0.401 4.521 4.120 -0.000 0.000 0.308 557 V C -0.633 175.476 176.094 0.025 0.000 1.099 557 V CA -0.873 61.435 62.300 0.014 0.000 0.920 557 V CB 2.684 34.516 31.823 0.015 0.000 1.014 557 V HN 0.060 nan 8.190 nan 0.000 0.425 558 L N 4.341 125.573 121.223 0.015 0.000 2.323 558 L HA 0.669 5.009 4.340 -0.000 0.000 0.265 558 L C -2.430 174.413 176.870 -0.045 0.000 1.012 558 L CA -1.770 53.067 54.840 -0.005 0.000 0.820 558 L CB 2.798 44.866 42.059 0.016 0.000 1.334 558 L HN 0.456 nan 8.230 nan 0.000 0.427 559 P HA 0.345 nan 4.420 nan 0.000 0.279 559 P C -0.359 176.944 177.300 0.006 0.000 1.282 559 P CA -0.566 62.454 63.100 -0.133 0.000 0.788 559 P CB 0.386 31.868 31.700 -0.364 0.000 1.139 560 M N -2.477 117.190 119.600 0.112 0.000 2.302 560 M HA -0.276 4.204 4.480 -0.000 0.000 0.200 560 M C 0.213 176.683 176.300 0.283 0.000 0.366 560 M CA 0.774 56.138 55.300 0.106 0.000 0.440 560 M CB -2.142 30.439 32.600 -0.033 0.000 1.475 560 M HN 0.505 nan 8.290 nan 0.000 0.905 561 A N -0.362 122.671 122.820 0.355 0.000 2.677 561 A HA 0.304 4.624 4.320 -0.000 0.000 0.197 561 A C 1.006 178.825 177.584 0.391 0.000 1.471 561 A CA 0.195 52.443 52.037 0.352 0.000 1.527 561 A CB 0.050 19.148 19.000 0.163 0.000 1.695 561 A HN 0.446 nan 8.150 nan 0.000 0.557 562 Q N -0.188 119.734 119.800 0.203 0.000 2.368 562 Q HA -0.144 4.196 4.340 -0.000 0.000 0.210 562 Q C 1.905 177.931 176.000 0.043 0.000 0.982 562 Q CA 1.441 57.324 55.803 0.134 0.000 0.884 562 Q CB -0.125 28.651 28.738 0.063 0.000 0.933 562 Q HN 0.539 nan 8.270 nan 0.000 0.460 563 R N -0.562 119.915 120.500 -0.039 0.000 2.236 563 R HA -0.100 4.240 4.340 -0.000 0.000 0.208 563 R C 0.713 176.728 176.300 -0.475 0.000 1.036 563 R CA 0.943 56.856 56.100 -0.312 0.000 1.001 563 R CB 0.295 30.289 30.300 -0.511 0.000 0.896 563 R HN 0.273 nan 8.270 nan 0.000 0.464 564 Y N -1.924 118.310 120.300 -0.110 0.000 2.535 564 Y HA 0.268 4.818 4.550 -0.000 0.000 0.264 564 Y C -0.083 175.556 175.900 -0.435 0.000 1.087 564 Y CA -0.508 57.419 58.100 -0.289 0.000 1.285 564 Y CB 0.514 38.673 38.460 -0.502 0.000 1.200 564 Y HN -0.168 nan 8.280 nan 0.000 0.514 565 F N 0.067 120.135 119.950 0.197 0.000 2.421 565 F HA 0.270 4.797 4.527 -0.000 0.000 0.337 565 F C 0.838 176.661 175.800 0.037 0.000 1.105 565 F CA -0.820 57.261 58.000 0.134 0.000 1.049 565 F CB 1.400 40.481 39.000 0.135 0.000 1.139 565 F HN -0.195 nan 8.300 nan 0.000 0.479 566 L N 2.267 123.601 121.223 0.184 0.000 2.217 566 L HA 0.156 4.496 4.340 -0.000 0.000 0.211 566 L C -0.469 176.183 176.870 -0.364 0.000 1.107 566 L CA 1.740 56.517 54.840 -0.106 0.000 0.783 566 L CB -0.398 41.601 42.059 -0.100 0.000 0.919 566 L HN 0.451 nan 8.230 nan 0.000 0.442 567 F N 0.000 120.043 119.950 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 58.053 58.000 0.089 0.000 1.383 567 F CB 0.000 39.033 39.000 0.055 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574