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 1fwc_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 HLDMLMVAHH LDPDIAEDVA 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 0.000 174.619 174.600 0.032 0.000 1.055 2 S CA 0.000 58.221 58.200 0.036 0.000 1.107 2 S CB 0.000 63.223 63.200 0.039 0.000 0.593 3 N N 0.014 118.733 118.700 0.031 0.000 2.284 3 N HA 0.753 5.493 4.740 -0.000 0.000 0.289 3 N C -1.828 173.705 175.510 0.038 0.000 1.179 3 N CA -0.371 52.691 53.050 0.019 0.000 0.774 3 N CB 2.572 41.062 38.487 0.006 0.000 1.548 3 N HN 0.708 nan 8.380 nan 0.000 0.473 4 I N 0.588 121.180 120.570 0.037 0.000 2.752 4 I HA 0.231 4.401 4.170 -0.000 0.000 0.295 4 I C -0.141 176.007 176.117 0.051 0.000 1.219 4 I CA -0.461 60.885 61.300 0.076 0.000 1.030 4 I CB 1.956 40.058 38.000 0.169 0.000 1.259 4 I HN 0.626 nan 8.210 nan 0.000 0.423 5 S N 6.070 121.804 115.700 0.058 0.000 2.585 5 S HA 0.343 4.813 4.470 -0.000 0.000 0.273 5 S C 1.021 175.664 174.600 0.071 0.000 1.339 5 S CA -0.409 57.815 58.200 0.039 0.000 1.028 5 S CB 1.547 64.768 63.200 0.035 0.000 0.906 5 S HN 0.812 nan 8.310 nan 0.000 0.528 6 R N 0.381 120.900 120.500 0.032 0.000 2.096 6 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 6 R C 2.415 178.791 176.300 0.126 0.000 1.127 6 R CA 1.760 57.892 56.100 0.053 0.000 0.968 6 R CB -0.462 29.837 30.300 -0.002 0.000 0.861 6 R HN 0.801 nan 8.270 nan 0.000 0.440 7 Q N 0.619 120.471 119.800 0.086 0.000 2.046 7 Q HA -0.066 4.274 4.340 -0.000 0.000 0.200 7 Q C 1.874 177.927 176.000 0.089 0.000 0.975 7 Q CA 2.082 57.934 55.803 0.081 0.000 0.836 7 Q CB -0.290 28.478 28.738 0.050 0.000 0.896 7 Q HN 0.301 nan 8.270 nan 0.000 0.428 8 A N -0.660 122.211 122.820 0.085 0.000 1.933 8 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 8 A C 2.054 179.688 177.584 0.084 0.000 1.175 8 A CA 1.498 53.572 52.037 0.062 0.000 0.628 8 A CB -1.090 17.946 19.000 0.059 0.000 0.814 8 A HN 0.625 nan 8.150 nan 0.000 0.444 9 Y N 0.528 120.870 120.300 0.070 0.000 2.145 9 Y HA -0.122 4.428 4.550 -0.000 0.000 0.286 9 Y C 2.683 178.682 175.900 0.164 0.000 1.145 9 Y CA 1.560 59.763 58.100 0.171 0.000 1.148 9 Y CB -0.450 38.091 38.460 0.135 0.000 0.981 9 Y HN 0.313 nan 8.280 nan 0.000 0.507 10 A N 0.047 123.031 122.820 0.273 0.000 1.940 10 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 10 A C 1.845 179.448 177.584 0.032 0.000 1.176 10 A CA 2.068 54.213 52.037 0.180 0.000 0.631 10 A CB -0.821 18.279 19.000 0.166 0.000 0.814 10 A HN 0.561 nan 8.150 nan 0.000 0.446 11 D N -0.944 119.449 120.400 -0.012 0.000 2.219 11 D HA -0.073 4.567 4.640 -0.000 0.000 0.205 11 D C 1.903 178.095 176.300 -0.179 0.000 0.970 11 D CA 1.125 55.086 54.000 -0.067 0.000 0.851 11 D CB -0.172 40.597 40.800 -0.051 0.000 0.943 11 D HN 0.509 nan 8.370 nan 0.000 0.488 12 M N -1.455 117.938 119.600 -0.346 0.000 2.429 12 M HA 0.079 4.559 4.480 -0.000 0.000 0.265 12 M C 0.742 176.524 176.300 -0.864 0.000 1.120 12 M CA 0.803 55.679 55.300 -0.708 0.000 1.173 12 M CB 0.390 32.308 32.600 -1.136 0.000 1.343 12 M HN -0.093 nan 8.290 nan 0.000 0.464 13 F N -0.117 119.673 119.950 -0.267 0.000 2.706 13 F HA 0.473 4.999 4.527 -0.000 0.000 0.313 13 F C 1.020 176.779 175.800 -0.069 0.000 1.096 13 F CA -0.056 57.815 58.000 -0.215 0.000 1.219 13 F CB 0.335 39.082 39.000 -0.423 0.000 1.051 13 F HN 0.210 nan 8.300 nan 0.000 0.568 14 G N 1.571 110.419 108.800 0.080 0.000 2.712 14 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.683 14 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.683 14 G C -2.968 172.059 174.900 0.212 0.000 1.320 14 G CA -1.325 43.852 45.100 0.128 0.000 0.847 14 G HN -0.047 nan 8.290 nan 0.000 0.553 15 P HA 0.430 nan 4.420 nan 0.000 0.272 15 P C 0.107 177.559 177.300 0.253 0.000 1.230 15 P CA 0.478 63.704 63.100 0.210 0.000 0.788 15 P CB 1.586 33.369 31.700 0.138 0.000 0.949 16 T N -0.503 114.189 114.554 0.231 0.000 2.773 16 T HA 0.279 4.629 4.350 -0.000 0.000 0.278 16 T C -0.493 174.285 174.700 0.129 0.000 1.011 16 T CA -0.780 61.445 62.100 0.209 0.000 1.014 16 T CB 0.622 69.626 68.868 0.227 0.000 1.293 16 T HN 0.102 nan 8.240 nan 0.000 0.554 17 V N 2.318 122.305 119.914 0.122 0.000 2.644 17 V HA 0.300 4.420 4.120 -0.000 0.000 0.303 17 V C 1.858 177.987 176.094 0.059 0.000 1.058 17 V CA 1.763 64.115 62.300 0.086 0.000 1.228 17 V CB -0.298 31.577 31.823 0.087 0.000 0.861 17 V HN 1.333 nan 8.190 nan 0.000 0.484 18 G N 3.712 112.543 108.800 0.051 0.000 2.258 18 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.233 18 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.233 18 G C -0.045 174.878 174.900 0.039 0.000 1.006 18 G CA 0.027 45.148 45.100 0.035 0.000 0.620 18 G HN 0.666 nan 8.290 nan 0.000 0.511 19 D N 1.433 121.868 120.400 0.059 0.000 2.341 19 D HA 0.546 5.186 4.640 -0.000 0.000 0.245 19 D C 0.583 176.937 176.300 0.089 0.000 1.106 19 D CA 0.397 54.442 54.000 0.074 0.000 0.905 19 D CB 0.995 41.853 40.800 0.097 0.000 1.202 19 D HN 0.417 nan 8.370 nan 0.000 0.426 20 K N 0.231 120.705 120.400 0.124 0.000 2.267 20 K HA 0.675 4.995 4.320 -0.000 0.000 0.246 20 K C -0.996 175.777 176.600 0.287 0.000 0.954 20 K CA -0.970 55.441 56.287 0.206 0.000 0.824 20 K CB 2.270 34.904 32.500 0.224 0.000 1.167 20 K HN 0.082 nan 8.250 nan 0.000 0.431 21 V N 1.727 121.777 119.914 0.226 0.000 2.638 21 V HA 0.374 4.494 4.120 -0.000 0.000 0.306 21 V C -0.517 175.412 176.094 -0.274 0.000 1.052 21 V CA -1.005 61.305 62.300 0.017 0.000 0.885 21 V CB 1.721 33.504 31.823 -0.068 0.000 0.999 21 V HN 0.701 nan 8.190 nan 0.000 0.424 22 R N 4.019 124.092 120.500 -0.711 0.000 2.340 22 R HA 0.495 4.835 4.340 -0.000 0.000 0.300 22 R C -0.897 175.024 176.300 -0.631 0.000 1.069 22 R CA -0.521 54.899 56.100 -1.133 0.000 0.984 22 R CB 0.583 30.049 30.300 -1.390 0.000 1.003 22 R HN 0.725 nan 8.270 nan 0.000 0.459 23 L N 6.393 127.264 121.223 -0.587 0.000 2.342 23 L HA 0.237 4.577 4.340 -0.000 0.000 0.285 23 L C 1.120 177.796 176.870 -0.323 0.000 1.095 23 L CA 0.310 54.850 54.840 -0.501 0.000 0.843 23 L CB 0.442 42.122 42.059 -0.631 0.000 1.201 23 L HN 1.132 nan 8.230 nan 0.000 0.445 24 A N 4.116 126.799 122.820 -0.228 0.000 5.483 24 A HA -0.316 4.004 4.320 -0.000 0.000 0.309 24 A C 0.791 178.285 177.584 -0.149 0.000 1.898 24 A CA 1.412 53.358 52.037 -0.152 0.000 0.716 24 A CB -1.079 17.820 19.000 -0.168 0.000 1.309 24 A HN 0.950 nan 8.150 nan 0.000 0.380 25 D N 0.094 120.454 120.400 -0.066 0.000 2.525 25 D HA 0.349 4.989 4.640 -0.000 0.000 0.229 25 D C 0.700 176.932 176.300 -0.113 0.000 1.202 25 D CA 1.023 54.975 54.000 -0.080 0.000 0.828 25 D CB -1.006 39.782 40.800 -0.020 0.000 1.008 25 D HN 1.099 nan 8.370 nan 0.000 0.493 26 T N -2.718 111.752 114.554 -0.140 0.000 2.852 26 T HA 0.268 4.618 4.350 -0.000 0.000 0.281 26 T C 0.766 175.497 174.700 0.053 0.000 0.993 26 T CA -0.503 61.561 62.100 -0.060 0.000 0.933 26 T CB 1.578 70.444 68.868 -0.004 0.000 1.187 26 T HN -0.219 nan 8.240 nan 0.000 0.559 27 E N 0.042 120.425 120.200 0.304 0.000 2.444 27 E HA 0.285 4.635 4.350 -0.000 0.000 0.191 27 E C -0.102 176.589 176.600 0.151 0.000 1.041 27 E CA -0.101 56.414 56.400 0.192 0.000 0.883 27 E CB -0.156 29.631 29.700 0.146 0.000 1.024 27 E HN 0.543 nan 8.360 nan 0.000 0.470 28 L N 0.598 121.829 121.223 0.012 0.000 2.305 28 L HA 0.296 4.636 4.340 -0.000 0.000 0.281 28 L C -0.417 176.352 176.870 -0.169 0.000 1.085 28 L CA -0.411 54.424 54.840 -0.008 0.000 0.813 28 L CB 0.489 42.514 42.059 -0.057 0.000 1.157 28 L HN -0.087 nan 8.230 nan 0.000 0.436 29 W N 4.595 125.849 121.300 -0.077 0.000 2.702 29 W HA 0.638 5.298 4.660 -0.000 0.000 0.331 29 W C -0.228 176.231 176.519 -0.100 0.000 1.049 29 W CA -0.488 56.803 57.345 -0.090 0.000 1.230 29 W CB 1.573 31.002 29.460 -0.053 0.000 1.408 29 W HN 0.243 nan 8.180 nan 0.000 0.492 30 I N -0.393 120.224 120.570 0.078 0.000 2.562 30 I HA 0.662 4.832 4.170 -0.000 0.000 0.301 30 I C -0.594 175.560 176.117 0.062 0.000 1.003 30 I CA -1.113 60.191 61.300 0.008 0.000 1.127 30 I CB 2.214 40.135 38.000 -0.132 0.000 1.304 30 I HN 0.418 nan 8.210 nan 0.000 0.446 31 E N 4.322 124.550 120.200 0.046 0.000 2.199 31 E HA 0.415 4.765 4.350 -0.000 0.000 0.265 31 E C -1.277 175.344 176.600 0.036 0.000 0.882 31 E CA -0.907 55.524 56.400 0.052 0.000 0.759 31 E CB 2.304 32.033 29.700 0.049 0.000 1.148 31 E HN 0.618 nan 8.360 nan 0.000 0.412 32 V N 5.228 125.169 119.914 0.045 0.000 2.458 32 V HA -0.065 4.055 4.120 -0.000 0.000 0.287 32 V C 1.005 177.129 176.094 0.050 0.000 1.009 32 V CA 0.785 63.114 62.300 0.047 0.000 1.091 32 V CB 0.559 32.426 31.823 0.073 0.000 0.960 32 V HN 0.847 nan 8.190 nan 0.000 0.476 33 E N 2.344 122.571 120.200 0.046 0.000 2.170 33 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 33 E C 0.188 176.827 176.600 0.064 0.000 0.981 33 E CA 0.502 56.935 56.400 0.055 0.000 0.830 33 E CB 0.369 30.103 29.700 0.057 0.000 0.775 33 E HN 0.769 nan 8.360 nan 0.000 0.470 34 D N -0.741 119.702 120.400 0.071 0.000 2.623 34 D HA 0.172 4.812 4.640 -0.000 0.000 0.241 34 D C -2.018 174.327 176.300 0.074 0.000 1.241 34 D CA -0.577 53.467 54.000 0.072 0.000 0.788 34 D CB 1.914 42.765 40.800 0.085 0.000 1.413 34 D HN -0.213 nan 8.370 nan 0.000 0.429 35 D N 2.251 122.682 120.400 0.051 0.000 2.686 35 D HA 0.222 4.862 4.640 -0.000 0.000 0.249 35 D C 0.091 176.379 176.300 -0.021 0.000 1.260 35 D CA -0.410 53.612 54.000 0.037 0.000 0.910 35 D CB 1.524 42.354 40.800 0.049 0.000 1.323 35 D HN 0.138 nan 8.370 nan 0.000 0.561 36 L N 2.542 123.767 121.223 0.004 0.000 2.627 36 L HA 0.150 4.490 4.340 -0.000 0.000 0.233 36 L C 1.402 178.236 176.870 -0.060 0.000 1.144 36 L CA 0.534 55.365 54.840 -0.015 0.000 0.892 36 L CB -0.623 41.453 42.059 0.029 0.000 1.039 36 L HN 0.362 nan 8.230 nan 0.000 0.442 37 T N -1.214 113.271 114.554 -0.115 0.000 2.824 37 T HA 0.328 4.678 4.350 -0.000 0.000 0.277 37 T C 0.147 174.677 174.700 -0.284 0.000 0.975 37 T CA -0.238 61.769 62.100 -0.155 0.000 0.966 37 T CB 0.772 69.567 68.868 -0.123 0.000 1.054 37 T HN 0.066 nan 8.240 nan 0.000 0.533 38 T N 2.960 117.382 114.554 -0.220 0.000 2.809 38 T HA 0.368 4.718 4.350 -0.000 0.000 0.296 38 T C -0.880 173.728 174.700 -0.153 0.000 1.015 38 T CA -0.199 61.777 62.100 -0.206 0.000 0.954 38 T CB -0.123 68.693 68.868 -0.086 0.000 0.950 38 T HN 0.513 nan 8.240 nan 0.000 0.450 39 Y N 1.978 122.259 120.300 -0.031 0.000 2.802 39 Y HA 0.247 4.797 4.550 -0.000 0.000 0.333 39 Y C 1.734 177.620 175.900 -0.024 0.000 1.244 39 Y CA 0.969 59.048 58.100 -0.036 0.000 1.558 39 Y CB 0.156 38.576 38.460 -0.066 0.000 1.233 39 Y HN 1.027 nan 8.280 nan 0.000 0.547 40 G N 2.059 110.937 108.800 0.130 0.000 2.259 40 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 40 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 40 G C 0.610 175.520 174.900 0.017 0.000 1.001 40 G CA -0.119 45.021 45.100 0.067 0.000 0.627 40 G HN 0.538 nan 8.290 nan 0.000 0.501 41 E N 1.108 121.304 120.200 -0.006 0.000 2.499 41 E HA 0.233 4.583 4.350 -0.000 0.000 0.199 41 E C 0.259 176.841 176.600 -0.031 0.000 1.016 41 E CA 0.014 56.407 56.400 -0.011 0.000 0.933 41 E CB 0.453 30.150 29.700 -0.005 0.000 1.050 41 E HN 0.684 nan 8.360 nan 0.000 0.462 42 E N 0.827 120.966 120.200 -0.103 0.000 2.413 42 E HA 0.059 4.409 4.350 -0.000 0.000 0.263 42 E C 0.171 176.781 176.600 0.017 0.000 1.015 42 E CA -0.095 56.238 56.400 -0.112 0.000 0.916 42 E CB 0.841 30.281 29.700 -0.432 0.000 0.947 42 E HN -0.085 nan 8.360 nan 0.000 0.440 43 V N 0.241 120.199 119.914 0.073 0.000 2.465 43 V HA 0.515 4.635 4.120 -0.000 0.000 0.279 43 V C -0.025 176.174 176.094 0.175 0.000 1.045 43 V CA -0.618 61.751 62.300 0.115 0.000 0.938 43 V CB 1.123 33.005 31.823 0.098 0.000 0.986 43 V HN 0.506 nan 8.190 nan 0.000 0.467 44 K N 3.511 124.022 120.400 0.185 0.000 2.468 44 K HA 0.567 4.887 4.320 -0.000 0.000 0.252 44 K C -1.859 174.848 176.600 0.178 0.000 0.932 44 K CA -0.635 55.765 56.287 0.189 0.000 0.794 44 K CB 2.585 35.194 32.500 0.183 0.000 1.241 44 K HN 0.755 nan 8.250 nan 0.000 0.428 45 F N 1.638 121.614 119.950 0.044 0.000 2.450 45 F HA 0.732 5.259 4.527 -0.000 0.000 0.332 45 F C 0.155 175.963 175.800 0.014 0.000 1.093 45 F CA 0.357 58.373 58.000 0.026 0.000 1.003 45 F CB 1.753 40.766 39.000 0.022 0.000 1.151 45 F HN 0.675 nan 8.300 nan 0.000 0.474 46 G N 2.282 110.352 108.800 -1.218 0.000 2.369 46 G HA2 0.344 4.304 3.960 -0.000 0.000 0.293 46 G HA3 0.344 4.304 3.960 -0.000 0.000 0.293 46 G C -0.718 173.846 174.900 -0.560 0.000 1.301 46 G CA -0.504 44.068 45.100 -0.878 0.000 0.913 46 G HN 1.089 nan 8.290 nan 0.000 0.540 47 G N -0.556 108.042 108.800 -0.337 0.000 2.248 47 G HA2 0.531 4.491 3.960 -0.000 0.000 0.260 47 G HA3 0.531 4.491 3.960 -0.000 0.000 0.260 47 G C 1.470 176.280 174.900 -0.149 0.000 1.214 47 G CA 1.822 46.800 45.100 -0.204 0.000 0.979 47 G HN 2.456 nan 8.290 nan 0.000 0.454 48 G N 1.662 110.389 108.800 -0.122 0.000 2.179 48 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.257 48 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.257 48 G C 0.821 175.683 174.900 -0.065 0.000 1.010 48 G CA 0.796 45.851 45.100 -0.074 0.000 0.736 48 G HN 0.712 nan 8.290 nan 0.000 0.513 49 K N -0.841 119.502 120.400 -0.095 0.000 2.842 49 K HA 0.618 4.938 4.320 -0.000 0.000 0.310 49 K C 1.944 178.545 176.600 0.001 0.000 0.992 49 K CA 0.070 56.326 56.287 -0.050 0.000 1.207 49 K CB -0.471 31.979 32.500 -0.083 0.000 1.478 49 K HN 0.099 nan 8.250 nan 0.000 0.601 50 V N 0.734 120.675 119.914 0.044 0.000 2.446 50 V HA 0.008 4.127 4.120 -0.000 0.000 0.244 50 V C 1.340 177.483 176.094 0.081 0.000 1.039 50 V CA 0.863 63.204 62.300 0.068 0.000 1.045 50 V CB -0.227 31.651 31.823 0.092 0.000 0.681 50 V HN 0.412 nan 8.190 nan 0.000 0.459 51 I N 2.570 123.216 120.570 0.125 0.000 2.352 51 I HA 0.180 4.350 4.170 -0.000 0.000 0.303 51 I C 0.317 176.529 176.117 0.158 0.000 1.194 51 I CA 0.668 62.065 61.300 0.162 0.000 1.518 51 I CB -0.670 37.476 38.000 0.244 0.000 1.489 51 I HN 0.236 nan 8.210 nan 0.000 0.702 52 R N 2.492 123.048 120.500 0.093 0.000 2.740 52 R HA 0.259 4.599 4.340 -0.000 0.000 0.273 52 R C -0.914 175.416 176.300 0.051 0.000 0.998 52 R CA -1.205 54.938 56.100 0.071 0.000 0.900 52 R CB 1.729 32.054 30.300 0.042 0.000 1.223 52 R HN 0.244 nan 8.270 nan 0.000 0.466 53 D N 0.445 120.871 120.400 0.042 0.000 2.662 53 D HA 0.022 4.662 4.640 -0.000 0.000 0.233 53 D C 1.217 177.531 176.300 0.024 0.000 1.129 53 D CA 2.608 56.626 54.000 0.029 0.000 0.851 53 D CB 0.353 41.167 40.800 0.023 0.000 1.152 53 D HN 0.694 nan 8.370 nan 0.000 0.507 54 G N 2.759 111.572 108.800 0.022 0.000 2.234 54 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.260 54 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.260 54 G C 0.822 175.735 174.900 0.022 0.000 0.987 54 G CA 0.919 46.030 45.100 0.019 0.000 0.625 54 G HN 0.523 nan 8.290 nan 0.000 0.532 55 M N -0.693 118.923 119.600 0.028 0.000 2.094 55 M HA 0.459 4.939 4.480 -0.000 0.000 0.163 55 M C 2.485 178.807 176.300 0.037 0.000 1.495 55 M CA 1.018 56.336 55.300 0.031 0.000 1.481 55 M CB -0.334 32.286 32.600 0.033 0.000 0.856 55 M HN 0.126 nan 8.290 nan 0.000 0.650 56 G N -0.023 108.805 108.800 0.047 0.000 2.848 56 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.208 56 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.208 56 G C 0.365 175.294 174.900 0.049 0.000 1.152 56 G CA 0.116 45.247 45.100 0.053 0.000 0.789 56 G HN 0.465 nan 8.290 nan 0.000 0.531 57 Q N 0.049 119.876 119.800 0.045 0.000 2.333 57 Q HA 0.561 4.901 4.340 -0.000 0.000 0.267 57 Q C 0.168 176.182 176.000 0.023 0.000 1.012 57 Q CA -0.693 55.131 55.803 0.034 0.000 0.824 57 Q CB 1.683 30.446 28.738 0.042 0.000 1.290 57 Q HN 0.133 nan 8.270 nan 0.000 0.449 58 G N 1.275 110.084 108.800 0.014 0.000 2.532 58 G HA2 0.131 4.090 3.960 -0.000 0.000 0.291 58 G HA3 0.131 4.090 3.960 -0.000 0.000 0.291 58 G C 0.052 174.954 174.900 0.004 0.000 1.349 58 G CA -0.222 44.884 45.100 0.010 0.000 1.038 58 G HN 0.673 nan 8.290 nan 0.000 0.518 59 Q N -0.132 119.669 119.800 0.003 0.000 2.247 59 Q HA 0.091 4.431 4.340 -0.000 0.000 0.204 59 Q C 1.114 177.112 176.000 -0.004 0.000 0.872 59 Q CA -0.269 55.534 55.803 0.000 0.000 0.951 59 Q CB 0.164 28.904 28.738 0.003 0.000 1.099 59 Q HN 0.655 nan 8.270 nan 0.000 0.501 60 M N -0.547 119.049 119.600 -0.007 0.000 2.232 60 M HA 0.236 4.716 4.480 -0.000 0.000 0.321 60 M C 0.013 176.301 176.300 -0.019 0.000 1.101 60 M CA 0.022 55.315 55.300 -0.012 0.000 1.181 60 M CB 0.243 32.834 32.600 -0.014 0.000 1.432 60 M HN -0.098 nan 8.290 nan 0.000 0.457 61 L N 2.027 123.239 121.223 -0.019 0.000 2.475 61 L HA 0.274 4.614 4.340 -0.000 0.000 0.253 61 L C 1.905 178.754 176.870 -0.035 0.000 1.198 61 L CA -0.172 54.654 54.840 -0.023 0.000 0.814 61 L CB 0.344 42.393 42.059 -0.017 0.000 1.134 61 L HN 1.016 nan 8.230 nan 0.000 0.478 62 A N 1.324 124.121 122.820 -0.038 0.000 1.948 62 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 62 A C 2.250 179.798 177.584 -0.060 0.000 1.177 62 A CA 2.034 54.040 52.037 -0.051 0.000 0.636 62 A CB -0.824 18.149 19.000 -0.045 0.000 0.815 62 A HN 0.903 nan 8.150 nan 0.000 0.449 63 A N -0.762 122.033 122.820 -0.041 0.000 2.070 63 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 63 A C 1.293 178.849 177.584 -0.046 0.000 1.159 63 A CA 1.600 53.616 52.037 -0.035 0.000 0.656 63 A CB -0.253 18.739 19.000 -0.014 0.000 0.800 63 A HN 0.474 nan 8.150 nan 0.000 0.453 64 D N -0.985 119.385 120.400 -0.050 0.000 2.424 64 D HA 0.209 4.849 4.640 -0.000 0.000 0.220 64 D C 0.216 176.461 176.300 -0.091 0.000 1.150 64 D CA 0.536 54.506 54.000 -0.049 0.000 0.831 64 D CB -0.057 40.733 40.800 -0.017 0.000 0.981 64 D HN 0.606 nan 8.370 nan 0.000 0.500 65 C N -1.213 118.000 119.300 -0.145 0.000 3.171 65 C HA 0.778 5.238 4.460 -0.000 0.000 0.308 65 C C 0.318 175.139 174.990 -0.282 0.000 1.334 65 C CA -1.175 57.732 59.018 -0.186 0.000 1.473 65 C CB 1.114 28.790 27.740 -0.106 0.000 1.866 65 C HN 0.010 nan 8.230 nan 0.000 0.465 66 V N -0.111 119.618 119.914 -0.309 0.000 2.953 66 V HA 0.428 4.548 4.120 -0.000 0.000 0.304 66 V C 0.511 176.506 176.094 -0.164 0.000 1.073 66 V CA 0.400 62.513 62.300 -0.311 0.000 1.064 66 V CB 0.714 32.379 31.823 -0.264 0.000 1.047 66 V HN 0.909 nan 8.190 nan 0.000 0.478 67 D N 0.710 121.036 120.400 -0.124 0.000 2.213 67 D HA 0.169 4.809 4.640 -0.000 0.000 0.205 67 D C 0.194 176.454 176.300 -0.066 0.000 0.961 67 D CA 1.209 55.160 54.000 -0.082 0.000 0.853 67 D CB 0.599 41.365 40.800 -0.057 0.000 0.967 67 D HN 0.492 nan 8.370 nan 0.000 0.496 68 L N 0.113 121.306 121.223 -0.050 0.000 2.445 68 L HA 0.482 4.822 4.340 -0.000 0.000 0.262 68 L C -1.699 175.165 176.870 -0.011 0.000 0.974 68 L CA -0.846 53.974 54.840 -0.033 0.000 0.822 68 L CB 2.603 44.655 42.059 -0.013 0.000 1.339 68 L HN -0.277 nan 8.230 nan 0.000 0.409 69 V N 5.619 125.527 119.914 -0.011 0.000 2.638 69 V HA 0.616 4.736 4.120 -0.000 0.000 0.306 69 V C -1.381 174.731 176.094 0.029 0.000 1.052 69 V CA -0.465 61.847 62.300 0.021 0.000 0.885 69 V CB 2.007 33.841 31.823 0.019 0.000 0.999 69 V HN 0.716 nan 8.190 nan 0.000 0.424 70 L N 6.502 127.759 121.223 0.057 0.000 2.262 70 L HA 0.518 4.858 4.340 -0.000 0.000 0.288 70 L C 0.673 177.593 176.870 0.083 0.000 1.035 70 L CA 0.104 54.984 54.840 0.066 0.000 0.820 70 L CB 1.659 43.765 42.059 0.079 0.000 1.204 70 L HN 0.851 nan 8.230 nan 0.000 0.424 71 T N -0.186 114.419 114.554 0.085 0.000 2.869 71 T HA 0.261 4.611 4.350 -0.000 0.000 0.295 71 T C 0.570 175.342 174.700 0.121 0.000 0.987 71 T CA -0.689 61.473 62.100 0.104 0.000 1.109 71 T CB 0.483 69.421 68.868 0.117 0.000 0.932 71 T HN 0.600 nan 8.240 nan 0.000 0.518 72 N N 0.123 118.901 118.700 0.130 0.000 2.725 72 N HA -0.157 4.583 4.740 -0.000 0.000 0.251 72 N C 0.005 175.597 175.510 0.137 0.000 1.031 72 N CA 0.833 53.971 53.050 0.147 0.000 0.720 72 N CB -1.643 36.958 38.487 0.189 0.000 0.930 72 N HN 1.118 nan 8.380 nan 0.000 0.543 73 A N 0.159 123.055 122.820 0.127 0.000 2.327 73 A HA 0.552 4.872 4.320 -0.000 0.000 0.283 73 A C 0.437 178.092 177.584 0.119 0.000 1.127 73 A CA -0.524 51.588 52.037 0.125 0.000 0.810 73 A CB 0.792 19.868 19.000 0.126 0.000 1.066 73 A HN 0.316 nan 8.150 nan 0.000 0.492 74 L N 4.129 125.418 121.223 0.109 0.000 2.272 74 L HA 0.465 4.805 4.340 -0.000 0.000 0.284 74 L C -0.505 176.402 176.870 0.062 0.000 1.045 74 L CA -0.191 54.697 54.840 0.079 0.000 0.842 74 L CB -0.154 41.941 42.059 0.060 0.000 1.224 74 L HN 0.555 nan 8.230 nan 0.000 0.430 75 I N 5.251 125.846 120.570 0.041 0.000 2.441 75 I HA 0.243 4.413 4.170 -0.000 0.000 0.287 75 I C -0.372 175.671 176.117 -0.123 0.000 1.049 75 I CA -0.421 60.877 61.300 -0.005 0.000 1.381 75 I CB 1.173 39.172 38.000 -0.001 0.000 1.409 75 I HN 0.242 nan 8.210 nan 0.000 0.523 76 V N 5.718 125.571 119.914 -0.102 0.000 2.409 76 V HA 0.431 4.551 4.120 -0.000 0.000 0.290 76 V C -0.609 175.385 176.094 -0.167 0.000 1.017 76 V CA -0.333 61.876 62.300 -0.152 0.000 0.841 76 V CB 1.549 33.310 31.823 -0.104 0.000 1.003 76 V HN 0.696 nan 8.190 nan 0.000 0.426 77 D N 0.836 120.999 120.400 -0.395 0.000 2.626 77 D HA 0.306 4.946 4.640 -0.000 0.000 0.278 77 D C 0.820 176.875 176.300 -0.409 0.000 1.211 77 D CA -0.409 53.331 54.000 -0.434 0.000 0.903 77 D CB 1.515 41.838 40.800 -0.795 0.000 1.408 77 D HN 0.686 nan 8.370 nan 0.000 0.454 78 H N -0.155 118.832 119.070 -0.139 0.000 2.489 78 H HA -0.049 4.507 4.556 -0.000 0.000 0.295 78 H C 1.410 176.845 175.328 0.178 0.000 1.082 78 H CA 1.785 57.872 56.048 0.066 0.000 1.295 78 H CB -0.310 29.507 29.762 0.092 0.000 1.380 78 H HN 0.500 nan 8.280 nan 0.000 0.548 79 W N 0.393 121.522 121.300 -0.285 0.000 3.077 79 W HA 0.590 5.250 4.660 -0.000 0.000 0.266 79 W C -0.127 176.405 176.519 0.022 0.000 1.300 79 W CA 0.173 57.472 57.345 -0.076 0.000 1.586 79 W CB 0.146 29.476 29.460 -0.216 0.000 1.103 79 W HN 0.393 nan 8.180 nan 0.000 0.652 80 G N 0.926 109.471 108.800 -0.425 0.000 2.325 80 G HA2 0.404 4.364 3.960 -0.000 0.000 0.297 80 G HA3 0.404 4.364 3.960 -0.000 0.000 0.297 80 G C -2.053 172.579 174.900 -0.447 0.000 1.448 80 G CA -1.071 43.872 45.100 -0.261 0.000 0.838 80 G HN 0.047 nan 8.290 nan 0.000 0.579 81 I N 1.531 121.983 120.570 -0.197 0.000 2.537 81 I HA 0.458 4.628 4.170 -0.000 0.000 0.276 81 I C 0.135 176.214 176.117 -0.063 0.000 1.063 81 I CA -0.927 60.279 61.300 -0.156 0.000 1.144 81 I CB 1.347 39.288 38.000 -0.097 0.000 1.252 81 I HN 0.556 nan 8.210 nan 0.000 0.480 82 V N 2.091 121.973 119.914 -0.053 0.000 3.040 82 V HA 0.668 4.788 4.120 -0.000 0.000 0.312 82 V C -0.644 175.493 176.094 0.073 0.000 1.115 82 V CA -1.049 61.282 62.300 0.051 0.000 0.998 82 V CB 2.206 34.115 31.823 0.144 0.000 1.042 82 V HN 0.505 nan 8.190 nan 0.000 0.433 83 K N 1.852 122.310 120.400 0.096 0.000 2.211 83 K HA 0.906 5.226 4.320 -0.000 0.000 0.275 83 K C -0.432 176.236 176.600 0.114 0.000 1.024 83 K CA 0.680 57.034 56.287 0.111 0.000 0.887 83 K CB 0.960 33.538 32.500 0.131 0.000 1.084 83 K HN 1.648 nan 8.250 nan 0.000 0.463 84 A N 3.144 126.037 122.820 0.120 0.000 2.544 84 A HA 0.399 4.719 4.320 -0.000 0.000 0.291 84 A C -1.765 175.888 177.584 0.116 0.000 1.055 84 A CA -0.954 51.151 52.037 0.113 0.000 0.651 84 A CB 0.720 19.798 19.000 0.131 0.000 1.296 84 A HN 0.656 nan 8.150 nan 0.000 0.431 85 D N 0.412 120.875 120.400 0.104 0.000 2.225 85 D HA 0.618 5.258 4.640 -0.000 0.000 0.249 85 D C -0.578 175.792 176.300 0.117 0.000 1.052 85 D CA 0.317 54.379 54.000 0.104 0.000 0.909 85 D CB 1.424 42.278 40.800 0.090 0.000 1.186 85 D HN 0.437 nan 8.370 nan 0.000 0.431 86 I N 0.771 121.412 120.570 0.118 0.000 2.406 86 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 86 I C 0.642 176.836 176.117 0.128 0.000 0.999 86 I CA -0.793 60.586 61.300 0.132 0.000 1.124 86 I CB 2.110 40.192 38.000 0.136 0.000 1.289 86 I HN 0.196 nan 8.210 nan 0.000 0.441 87 G N 5.331 114.232 108.800 0.168 0.000 2.379 87 G HA2 0.627 4.587 3.960 -0.000 0.000 0.327 87 G HA3 0.627 4.587 3.960 -0.000 0.000 0.327 87 G C -0.994 174.025 174.900 0.198 0.000 1.145 87 G CA -0.365 44.842 45.100 0.178 0.000 0.905 87 G HN 0.334 nan 8.290 nan 0.000 0.466 88 V N 1.915 121.896 119.914 0.112 0.000 2.487 88 V HA 0.616 4.736 4.120 -0.000 0.000 0.298 88 V C -0.122 175.998 176.094 0.044 0.000 1.028 88 V CA -0.815 61.550 62.300 0.108 0.000 0.860 88 V CB 1.780 33.650 31.823 0.078 0.000 0.991 88 V HN 0.805 nan 8.190 nan 0.000 0.427 89 K N 3.021 123.469 120.400 0.079 0.000 2.513 89 K HA 0.417 4.737 4.320 -0.000 0.000 0.251 89 K C -0.746 175.894 176.600 0.067 0.000 0.939 89 K CA -0.479 55.814 56.287 0.009 0.000 0.793 89 K CB 1.377 33.815 32.500 -0.104 0.000 1.241 89 K HN 0.690 nan 8.250 nan 0.000 0.431 90 D N 3.079 123.507 120.400 0.046 0.000 2.870 90 D HA -0.176 4.463 4.640 -0.000 0.000 0.228 90 D C 0.584 176.941 176.300 0.095 0.000 1.147 90 D CA 1.800 55.845 54.000 0.075 0.000 0.757 90 D CB -1.132 39.715 40.800 0.079 0.000 1.091 90 D HN 1.106 nan 8.370 nan 0.000 0.429 91 G N -0.486 108.366 108.800 0.088 0.000 2.184 91 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.264 91 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.264 91 G C 0.379 175.330 174.900 0.085 0.000 0.975 91 G CA 0.790 45.944 45.100 0.091 0.000 0.642 91 G HN 0.544 nan 8.290 nan 0.000 0.536 92 R N -0.914 119.644 120.500 0.096 0.000 2.892 92 R HA 0.653 4.993 4.340 -0.000 0.000 0.265 92 R C 0.119 176.498 176.300 0.132 0.000 1.025 92 R CA -1.195 54.968 56.100 0.104 0.000 0.982 92 R CB 1.332 31.690 30.300 0.097 0.000 1.185 92 R HN 0.157 nan 8.270 nan 0.000 0.484 93 I N 2.484 123.128 120.570 0.123 0.000 2.505 93 I HA -0.071 4.099 4.170 -0.000 0.000 0.287 93 I C 0.905 177.113 176.117 0.152 0.000 1.104 93 I CA 0.341 61.722 61.300 0.136 0.000 1.387 93 I CB 0.230 38.297 38.000 0.111 0.000 1.404 93 I HN 0.608 nan 8.210 nan 0.000 0.528 94 F N 7.004 126.976 119.950 0.037 0.000 2.220 94 F HA 0.401 4.928 4.527 -0.000 0.000 0.290 94 F C 1.012 176.824 175.800 0.019 0.000 1.080 94 F CA 0.737 58.752 58.000 0.026 0.000 1.318 94 F CB 0.315 39.330 39.000 0.024 0.000 1.063 94 F HN 0.463 nan 8.300 nan 0.000 0.498 95 A N -0.261 122.601 122.820 0.071 0.000 2.601 95 A HA 0.598 4.918 4.320 -0.000 0.000 0.291 95 A C -1.665 175.961 177.584 0.070 0.000 1.075 95 A CA -0.585 51.425 52.037 -0.046 0.000 0.671 95 A CB 0.479 19.418 19.000 -0.102 0.000 1.277 95 A HN 0.104 nan 8.150 nan 0.000 0.417 96 I N 1.378 121.964 120.570 0.027 0.000 2.411 96 I HA 0.639 4.809 4.170 -0.000 0.000 0.284 96 I C 0.688 176.836 176.117 0.053 0.000 1.012 96 I CA 0.355 61.699 61.300 0.074 0.000 1.119 96 I CB 1.675 39.723 38.000 0.080 0.000 1.261 96 I HN 1.109 nan 8.210 nan 0.000 0.448 97 G N 5.368 114.212 108.800 0.074 0.000 2.725 97 G HA2 0.206 4.166 3.960 -0.000 0.000 0.098 97 G HA3 0.206 4.166 3.960 -0.000 0.000 0.098 97 G C -1.502 173.431 174.900 0.056 0.000 1.188 97 G CA -0.388 44.744 45.100 0.054 0.000 1.237 97 G HN 0.282 nan 8.290 nan 0.000 0.596 98 K N 1.175 121.603 120.400 0.047 0.000 2.394 98 K HA 0.719 5.039 4.320 -0.000 0.000 0.260 98 K C -0.341 176.290 176.600 0.052 0.000 0.967 98 K CA -0.262 56.048 56.287 0.039 0.000 0.855 98 K CB 1.171 33.679 32.500 0.013 0.000 1.101 98 K HN 0.766 nan 8.250 nan 0.000 0.433 99 A N 2.425 125.279 122.820 0.058 0.000 2.279 99 A HA 0.861 5.181 4.320 -0.000 0.000 0.303 99 A C 0.336 177.949 177.584 0.048 0.000 1.108 99 A CA 0.389 52.462 52.037 0.059 0.000 0.830 99 A CB 0.876 19.915 19.000 0.064 0.000 1.106 99 A HN 0.898 nan 8.150 nan 0.000 0.493 100 G N 0.121 108.947 108.800 0.043 0.000 2.356 100 G HA2 0.281 4.241 3.960 -0.000 0.000 0.266 100 G HA3 0.281 4.241 3.960 -0.000 0.000 0.266 100 G C -1.496 173.423 174.900 0.031 0.000 1.312 100 G CA -0.254 44.870 45.100 0.039 0.000 0.922 100 G HN 1.102 nan 8.290 nan 0.000 0.480 101 N N 0.873 119.591 118.700 0.029 0.000 2.479 101 N HA 0.614 5.354 4.740 -0.000 0.000 0.261 101 N C -1.663 173.860 175.510 0.023 0.000 0.979 101 N CA -2.307 50.758 53.050 0.024 0.000 0.930 101 N CB 2.460 40.961 38.487 0.024 0.000 1.172 101 N HN 0.022 nan 8.380 nan 0.000 0.499 102 P HA -0.037 nan 4.420 nan 0.000 0.225 102 P C 0.239 177.549 177.300 0.018 0.000 1.148 102 P CA 0.835 63.947 63.100 0.021 0.000 0.779 102 P CB 0.437 32.150 31.700 0.022 0.000 0.780 103 D N -0.751 119.659 120.400 0.017 0.000 2.178 103 D HA -0.098 4.542 4.640 -0.000 0.000 0.202 103 D C 1.669 177.978 176.300 0.015 0.000 0.974 103 D CA 1.202 55.211 54.000 0.015 0.000 0.841 103 D CB -0.126 40.682 40.800 0.014 0.000 0.953 103 D HN 0.354 nan 8.370 nan 0.000 0.478 104 I N -3.786 116.795 120.570 0.017 0.000 4.526 104 I HA 0.238 4.408 4.170 -0.000 0.000 0.330 104 I C 0.018 176.145 176.117 0.018 0.000 1.323 104 I CA -0.412 60.898 61.300 0.018 0.000 1.218 104 I CB 0.392 38.403 38.000 0.019 0.000 1.233 104 I HN -0.319 nan 8.210 nan 0.000 0.430 105 Q N 3.475 123.287 119.800 0.019 0.000 2.306 105 Q HA 0.562 4.902 4.340 -0.000 0.000 0.265 105 Q C -2.556 173.452 176.000 0.014 0.000 1.022 105 Q CA -1.994 53.820 55.803 0.017 0.000 0.853 105 Q CB 2.121 30.871 28.738 0.020 0.000 1.327 105 Q HN 0.103 nan 8.270 nan 0.000 0.449 106 P HA 0.177 nan 4.420 nan 0.000 0.285 106 P C -1.034 176.268 177.300 0.003 0.000 1.269 106 P CA -0.308 62.795 63.100 0.006 0.000 0.844 106 P CB 0.720 32.421 31.700 0.003 0.000 1.094 107 N N -1.878 116.824 118.700 0.003 0.000 2.693 107 N HA -0.131 4.609 4.740 -0.000 0.000 0.249 107 N C -0.373 175.143 175.510 0.010 0.000 1.119 107 N CA 0.221 53.272 53.050 0.002 0.000 0.717 107 N CB -1.716 36.764 38.487 -0.012 0.000 1.071 107 N HN 0.154 nan 8.380 nan 0.000 0.555 108 V N 0.945 120.870 119.914 0.019 0.000 2.470 108 V HA 0.134 4.254 4.120 -0.000 0.000 0.276 108 V C 1.672 177.794 176.094 0.046 0.000 1.040 108 V CA 1.006 63.325 62.300 0.032 0.000 1.008 108 V CB 1.129 32.972 31.823 0.033 0.000 0.990 108 V HN 0.496 nan 8.190 nan 0.000 0.477 109 T N 1.623 116.213 114.554 0.059 0.000 2.985 109 T HA 0.388 4.738 4.350 -0.000 0.000 0.254 109 T C 0.313 175.107 174.700 0.157 0.000 1.021 109 T CA 0.179 62.328 62.100 0.082 0.000 0.957 109 T CB 0.118 69.015 68.868 0.048 0.000 1.047 109 T HN 0.351 nan 8.240 nan 0.000 0.511 110 I N 3.906 124.559 120.570 0.139 0.000 2.502 110 I HA 0.360 4.530 4.170 -0.000 0.000 0.276 110 I C -2.700 173.463 176.117 0.077 0.000 1.057 110 I CA -2.695 58.706 61.300 0.168 0.000 1.163 110 I CB 1.996 40.090 38.000 0.156 0.000 1.288 110 I HN -0.058 nan 8.210 nan 0.000 0.479 111 P HA 0.240 nan 4.420 nan 0.000 0.276 111 P C -0.527 176.755 177.300 -0.030 0.000 1.235 111 P CA 0.134 63.237 63.100 0.004 0.000 0.772 111 P CB 1.275 32.973 31.700 -0.003 0.000 0.871 112 I N 2.658 123.222 120.570 -0.011 0.000 2.354 112 I HA 0.546 4.716 4.170 -0.000 0.000 0.292 112 I C 1.060 177.167 176.117 -0.017 0.000 0.989 112 I CA -0.123 61.166 61.300 -0.017 0.000 1.188 112 I CB 1.815 39.819 38.000 0.007 0.000 1.342 112 I HN 0.435 nan 8.210 nan 0.000 0.457 113 G N 2.866 111.647 108.800 -0.031 0.000 3.086 113 G HA2 0.545 4.505 3.960 -0.000 0.000 0.282 113 G HA3 0.545 4.505 3.960 -0.000 0.000 0.282 113 G C 0.527 175.411 174.900 -0.027 0.000 1.343 113 G CA 0.052 45.137 45.100 -0.025 0.000 0.895 113 G HN 0.602 nan 8.290 nan 0.000 0.557 114 A N -0.737 122.069 122.820 -0.023 0.000 1.978 114 A HA 0.239 4.559 4.320 -0.000 0.000 0.220 114 A C 2.362 179.923 177.584 -0.038 0.000 1.170 114 A CA 2.577 54.600 52.037 -0.023 0.000 0.636 114 A CB -0.650 18.338 19.000 -0.019 0.000 0.810 114 A HN 1.532 nan 8.150 nan 0.000 0.448 115 A N -0.796 121.996 122.820 -0.047 0.000 2.259 115 A HA 0.330 4.650 4.320 -0.000 0.000 0.208 115 A C 0.756 178.298 177.584 -0.070 0.000 1.201 115 A CA 0.642 52.644 52.037 -0.058 0.000 0.824 115 A CB -0.529 18.436 19.000 -0.060 0.000 0.838 115 A HN 0.287 nan 8.150 nan 0.000 0.485 116 T N 0.873 115.385 114.554 -0.070 0.000 2.767 116 T HA 0.428 4.778 4.350 -0.000 0.000 0.288 116 T C -0.287 174.353 174.700 -0.101 0.000 0.963 116 T CA -0.340 61.712 62.100 -0.080 0.000 1.019 116 T CB 1.492 70.319 68.868 -0.069 0.000 0.923 116 T HN 0.451 nan 8.240 nan 0.000 0.468 117 E N 2.391 122.526 120.200 -0.107 0.000 2.283 117 E HA 0.535 4.885 4.350 -0.000 0.000 0.267 117 E C -1.208 175.299 176.600 -0.155 0.000 1.045 117 E CA -0.657 55.657 56.400 -0.144 0.000 0.884 117 E CB 0.933 30.564 29.700 -0.115 0.000 1.106 117 E HN 0.320 nan 8.360 nan 0.000 0.408 118 V N 4.598 124.369 119.914 -0.239 0.000 2.588 118 V HA 0.444 4.564 4.120 -0.000 0.000 0.304 118 V C -0.301 175.700 176.094 -0.156 0.000 1.042 118 V CA -0.664 61.510 62.300 -0.209 0.000 0.877 118 V CB 1.582 33.210 31.823 -0.325 0.000 0.996 118 V HN 0.667 nan 8.190 nan 0.000 0.425 119 I N 3.617 124.151 120.570 -0.060 0.000 2.382 119 I HA 0.582 4.752 4.170 -0.000 0.000 0.286 119 I C 0.430 176.563 176.117 0.027 0.000 1.002 119 I CA -0.634 60.656 61.300 -0.016 0.000 1.135 119 I CB 1.846 39.847 38.000 0.000 0.000 1.288 119 I HN 0.712 nan 8.210 nan 0.000 0.448 120 A N 5.083 127.933 122.820 0.050 0.000 2.350 120 A HA 0.581 4.901 4.320 -0.000 0.000 0.293 120 A C 0.792 178.420 177.584 0.074 0.000 1.231 120 A CA -0.104 51.982 52.037 0.082 0.000 0.883 120 A CB 0.361 19.423 19.000 0.104 0.000 1.133 120 A HN 0.891 nan 8.150 nan 0.000 0.533 121 A N 2.865 125.736 122.820 0.085 0.000 2.430 121 A HA 0.258 4.578 4.320 -0.000 0.000 0.243 121 A C 0.714 178.357 177.584 0.100 0.000 1.254 121 A CA -0.210 51.882 52.037 0.091 0.000 0.914 121 A CB -0.127 18.933 19.000 0.099 0.000 0.998 121 A HN 0.823 nan 8.150 nan 0.000 0.515 122 E N 0.146 120.403 120.200 0.096 0.000 2.415 122 E HA 0.284 4.634 4.350 -0.000 0.000 0.260 122 E C 0.825 177.468 176.600 0.073 0.000 1.016 122 E CA 0.567 57.023 56.400 0.094 0.000 0.924 122 E CB 0.082 29.829 29.700 0.077 0.000 0.961 122 E HN 0.920 nan 8.360 nan 0.000 0.459 123 G N 2.851 111.702 108.800 0.084 0.000 2.176 123 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.253 123 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.253 123 G C -0.028 174.929 174.900 0.094 0.000 0.979 123 G CA 0.285 45.430 45.100 0.075 0.000 0.641 123 G HN 0.482 nan 8.290 nan 0.000 0.530 124 K N -0.225 120.241 120.400 0.111 0.000 2.281 124 K HA 0.762 5.082 4.320 -0.000 0.000 0.242 124 K C -0.082 176.614 176.600 0.160 0.000 0.971 124 K CA -0.876 55.499 56.287 0.147 0.000 0.834 124 K CB 2.067 34.653 32.500 0.143 0.000 1.181 124 K HN 0.196 nan 8.250 nan 0.000 0.435 125 I N 1.334 122.043 120.570 0.232 0.000 2.412 125 I HA 0.269 4.439 4.170 -0.000 0.000 0.296 125 I C -0.500 175.842 176.117 0.376 0.000 0.987 125 I CA -1.073 60.371 61.300 0.240 0.000 1.180 125 I CB 1.861 39.978 38.000 0.195 0.000 1.340 125 I HN 0.012 nan 8.210 nan 0.000 0.455 126 V N 4.681 124.768 119.914 0.289 0.000 2.495 126 V HA 0.603 4.723 4.120 -0.000 0.000 0.298 126 V C 0.079 176.363 176.094 0.316 0.000 1.031 126 V CA -0.378 62.098 62.300 0.294 0.000 0.871 126 V CB 1.937 33.873 31.823 0.189 0.000 0.988 126 V HN 0.905 nan 8.190 nan 0.000 0.432 127 T N 1.542 116.336 114.554 0.400 0.000 2.887 127 T HA 0.871 5.221 4.350 -0.000 0.000 0.292 127 T C -0.104 174.781 174.700 0.309 0.000 1.087 127 T CA -0.356 61.970 62.100 0.377 0.000 1.009 127 T CB 1.941 71.145 68.868 0.561 0.000 1.203 127 T HN 0.998 nan 8.240 nan 0.000 0.518 128 A N 0.308 123.290 122.820 0.271 0.000 2.346 128 A HA 0.693 5.013 4.320 -0.000 0.000 0.252 128 A C 0.946 178.691 177.584 0.268 0.000 1.089 128 A CA -0.146 52.032 52.037 0.236 0.000 0.797 128 A CB -0.628 18.500 19.000 0.214 0.000 1.047 128 A HN 1.374 nan 8.150 nan 0.000 0.494 129 G N -0.218 108.713 108.800 0.219 0.000 2.442 129 G HA2 0.479 4.439 3.960 -0.000 0.000 0.249 129 G HA3 0.479 4.439 3.960 -0.000 0.000 0.249 129 G C 0.526 175.584 174.900 0.264 0.000 1.263 129 G CA 0.201 45.433 45.100 0.220 0.000 0.846 129 G HN 1.130 nan 8.290 nan 0.000 0.555 130 G N -0.426 108.563 108.800 0.315 0.000 2.594 130 G HA2 0.455 4.415 3.960 -0.000 0.000 0.243 130 G HA3 0.455 4.415 3.960 -0.000 0.000 0.243 130 G C -0.266 174.782 174.900 0.246 0.000 1.229 130 G CA -0.538 44.788 45.100 0.377 0.000 0.843 130 G HN 0.640 nan 8.290 nan 0.000 0.578 131 I N 1.055 121.768 120.570 0.237 0.000 2.468 131 I HA 0.167 4.337 4.170 -0.000 0.000 0.284 131 I C -1.234 174.967 176.117 0.140 0.000 1.038 131 I CA -0.708 60.691 61.300 0.164 0.000 1.083 131 I CB 2.036 40.118 38.000 0.136 0.000 1.223 131 I HN 0.306 nan 8.210 nan 0.000 0.443 132 D N 4.673 125.131 120.400 0.097 0.000 2.329 132 D HA 0.196 4.836 4.640 -0.000 0.000 0.232 132 D C 0.920 177.239 176.300 0.033 0.000 1.088 132 D CA -0.185 53.849 54.000 0.058 0.000 0.835 132 D CB 1.538 42.342 40.800 0.007 0.000 1.078 132 D HN 0.613 nan 8.370 nan 0.000 0.495 133 T N 0.307 114.901 114.554 0.066 0.000 3.163 133 T HA 0.103 4.453 4.350 -0.000 0.000 0.252 133 T C 0.611 175.330 174.700 0.032 0.000 1.056 133 T CA -0.071 62.050 62.100 0.035 0.000 0.947 133 T CB -0.430 68.524 68.868 0.143 0.000 1.016 133 T HN 0.485 nan 8.240 nan 0.000 0.554 134 H N 0.703 119.661 119.070 -0.185 0.000 2.439 134 H HA 0.453 5.009 4.556 -0.000 0.000 0.230 134 H C -0.844 174.309 175.328 -0.292 0.000 1.420 134 H CA -0.965 54.835 56.048 -0.414 0.000 1.305 134 H CB -0.097 29.257 29.762 -0.680 0.000 1.667 134 H HN 0.183 nan 8.280 nan 0.000 0.515 135 I N 2.178 122.653 120.570 -0.158 0.000 2.353 135 I HA 0.138 4.308 4.170 -0.000 0.000 0.293 135 I C 0.228 176.104 176.117 -0.402 0.000 0.992 135 I CA -0.328 60.757 61.300 -0.358 0.000 1.268 135 I CB 1.156 38.700 38.000 -0.761 0.000 1.387 135 I HN 0.563 nan 8.210 nan 0.000 0.478 136 H N 5.515 124.409 119.070 -0.294 0.000 2.581 136 H HA 0.134 4.690 4.556 -0.000 0.000 0.308 136 H C -0.772 174.455 175.328 -0.168 0.000 1.040 136 H CA -0.347 55.621 56.048 -0.133 0.000 1.231 136 H CB 0.657 30.409 29.762 -0.017 0.000 1.396 136 H HN 0.555 nan 8.280 nan 0.000 0.467 137 W N 5.476 126.849 121.300 0.122 0.000 1.539 137 W HA 0.122 4.782 4.660 -0.000 0.000 0.502 137 W C 1.030 177.596 176.519 0.078 0.000 0.689 137 W CA -0.290 57.105 57.345 0.084 0.000 2.088 137 W CB -0.327 29.163 29.460 0.051 0.000 1.686 137 W HN 0.635 nan 8.180 nan 0.000 0.211 138 I N 1.244 121.972 120.570 0.262 0.000 2.584 138 I HA -0.074 4.096 4.170 -0.000 0.000 0.255 138 I C 1.069 177.294 176.117 0.179 0.000 1.145 138 I CA 0.622 62.038 61.300 0.194 0.000 1.462 138 I CB -0.123 37.990 38.000 0.189 0.000 1.102 138 I HN 0.249 nan 8.210 nan 0.000 0.433 139 C N -2.295 117.130 119.300 0.209 0.000 3.171 139 C HA 0.364 4.824 4.460 -0.000 0.000 0.336 139 C C -1.958 173.163 174.990 0.219 0.000 1.198 139 C CA -1.318 57.803 59.018 0.171 0.000 1.319 139 C CB 1.216 29.026 27.740 0.118 0.000 1.682 139 C HN -0.052 nan 8.230 nan 0.000 0.497 140 P HA -0.077 nan 4.420 nan 0.000 0.223 140 P C 1.071 178.461 177.300 0.151 0.000 1.151 140 P CA 1.554 64.746 63.100 0.152 0.000 0.787 140 P CB 0.232 31.971 31.700 0.065 0.000 0.788 141 Q N 0.177 120.046 119.800 0.115 0.000 2.291 141 Q HA -0.135 4.205 4.340 -0.000 0.000 0.206 141 Q C 2.377 178.434 176.000 0.095 0.000 0.976 141 Q CA 1.288 57.143 55.803 0.087 0.000 0.875 141 Q CB -0.852 27.921 28.738 0.059 0.000 0.927 141 Q HN 0.446 nan 8.270 nan 0.000 0.450 142 Q N -0.478 119.400 119.800 0.130 0.000 2.181 142 Q HA -0.157 4.183 4.340 -0.000 0.000 0.205 142 Q C 2.023 178.096 176.000 0.122 0.000 0.980 142 Q CA 1.230 57.094 55.803 0.102 0.000 0.862 142 Q CB -0.228 28.563 28.738 0.089 0.000 0.905 142 Q HN 0.498 nan 8.270 nan 0.000 0.429 143 A N 1.189 124.136 122.820 0.212 0.000 1.908 143 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 143 A C 1.898 179.545 177.584 0.104 0.000 1.181 143 A CA 1.734 53.892 52.037 0.202 0.000 0.627 143 A CB -0.525 18.611 19.000 0.227 0.000 0.818 143 A HN 0.443 nan 8.150 nan 0.000 0.445 144 E N -0.713 119.533 120.200 0.077 0.000 2.106 144 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 144 E C 1.955 178.561 176.600 0.010 0.000 0.984 144 E CA 1.290 57.714 56.400 0.041 0.000 0.806 144 E CB -0.084 29.640 29.700 0.041 0.000 0.750 144 E HN 0.589 nan 8.360 nan 0.000 0.458 145 E N 0.334 120.543 120.200 0.014 0.000 2.051 145 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 145 E C 1.753 178.335 176.600 -0.031 0.000 0.991 145 E CA 1.538 57.929 56.400 -0.015 0.000 0.799 145 E CB -0.284 29.410 29.700 -0.009 0.000 0.748 145 E HN 0.349 nan 8.360 nan 0.000 0.449 146 A N 0.155 122.971 122.820 -0.006 0.000 1.898 146 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 146 A C 2.180 179.760 177.584 -0.007 0.000 1.181 146 A CA 1.370 53.403 52.037 -0.006 0.000 0.620 146 A CB -0.745 18.264 19.000 0.014 0.000 0.819 146 A HN 0.355 nan 8.150 nan 0.000 0.442 147 L N -0.077 121.147 121.223 0.002 0.000 2.046 147 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 147 L C 2.376 179.200 176.870 -0.078 0.000 1.077 147 L CA 1.803 56.639 54.840 -0.008 0.000 0.747 147 L CB -0.442 41.624 42.059 0.012 0.000 0.896 147 L HN 0.153 nan 8.230 nan 0.000 0.432 148 V N -0.411 119.422 119.914 -0.135 0.000 2.490 148 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 148 V C 2.654 178.563 176.094 -0.309 0.000 1.061 148 V CA 1.695 63.797 62.300 -0.331 0.000 1.064 148 V CB -0.821 30.739 31.823 -0.438 0.000 0.670 148 V HN 0.773 nan 8.190 nan 0.000 0.461 149 S N -0.360 115.255 115.700 -0.142 0.000 2.489 149 S HA 0.208 4.678 4.470 -0.000 0.000 0.228 149 S C 1.556 176.183 174.600 0.046 0.000 0.995 149 S CA 0.940 59.117 58.200 -0.037 0.000 0.934 149 S CB 0.576 63.767 63.200 -0.015 0.000 0.771 149 S HN 1.179 nan 8.310 nan 0.000 0.522 150 G N -0.220 108.568 108.800 -0.020 0.000 2.159 150 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.170 150 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.170 150 G C -0.194 174.773 174.900 0.111 0.000 1.007 150 G CA -0.183 44.934 45.100 0.028 0.000 0.672 150 G HN 0.610 nan 8.290 nan 0.000 0.507 151 V N 2.036 121.994 119.914 0.074 0.000 2.370 151 V HA 0.567 4.687 4.120 -0.000 0.000 0.279 151 V C 1.411 177.564 176.094 0.098 0.000 1.029 151 V CA 0.680 63.041 62.300 0.102 0.000 0.870 151 V CB 1.346 33.209 31.823 0.066 0.000 0.984 151 V HN 0.594 nan 8.190 nan 0.000 0.451 152 T N -0.203 114.427 114.554 0.126 0.000 3.023 152 T HA 0.154 4.504 4.350 -0.000 0.000 0.253 152 T C 0.611 175.403 174.700 0.152 0.000 1.038 152 T CA -0.029 62.145 62.100 0.122 0.000 0.962 152 T CB 0.265 69.203 68.868 0.116 0.000 1.018 152 T HN 0.531 nan 8.240 nan 0.000 0.521 153 T N 2.369 117.025 114.554 0.171 0.000 2.881 153 T HA 0.677 5.027 4.350 -0.000 0.000 0.290 153 T C -1.021 173.790 174.700 0.185 0.000 1.000 153 T CA -0.571 61.656 62.100 0.212 0.000 0.978 153 T CB 1.739 70.747 68.868 0.233 0.000 0.997 153 T HN 0.191 nan 8.240 nan 0.000 0.443 154 M N 3.173 122.914 119.600 0.235 0.000 2.197 154 M HA 0.532 5.012 4.480 -0.000 0.000 0.301 154 M C -1.172 175.275 176.300 0.246 0.000 0.987 154 M CA -0.847 54.569 55.300 0.192 0.000 0.921 154 M CB 2.216 34.953 32.600 0.227 0.000 1.569 154 M HN 0.234 nan 8.290 nan 0.000 0.431 155 V N 2.513 122.479 119.914 0.088 0.000 2.495 155 V HA 1.007 5.127 4.120 -0.000 0.000 0.298 155 V C 0.245 176.328 176.094 -0.018 0.000 1.031 155 V CA -0.202 62.136 62.300 0.063 0.000 0.871 155 V CB 1.587 33.337 31.823 -0.122 0.000 0.988 155 V HN 1.073 nan 8.190 nan 0.000 0.432 156 G N 2.905 111.750 108.800 0.075 0.000 2.348 156 G HA2 0.677 4.637 3.960 -0.000 0.000 0.296 156 G HA3 0.677 4.637 3.960 -0.000 0.000 0.296 156 G C -0.645 174.345 174.900 0.150 0.000 1.258 156 G CA 0.119 45.194 45.100 -0.043 0.000 0.868 156 G HN 1.107 nan 8.290 nan 0.000 0.488 157 G N -2.039 106.811 108.800 0.084 0.000 2.692 157 G HA2 0.993 4.953 3.960 -0.000 0.000 0.291 157 G HA3 0.993 4.953 3.960 -0.000 0.000 0.291 157 G C -0.264 174.800 174.900 0.274 0.000 1.423 157 G CA 0.318 45.579 45.100 0.267 0.000 0.843 157 G HN 2.218 nan 8.290 nan 0.000 0.486 158 G N -1.686 107.292 108.800 0.297 0.000 2.336 158 G HA2 0.532 4.492 3.960 -0.000 0.000 0.300 158 G HA3 0.532 4.492 3.960 -0.000 0.000 0.300 158 G C 0.100 175.080 174.900 0.134 0.000 1.375 158 G CA 0.953 46.185 45.100 0.221 0.000 0.885 158 G HN 1.716 nan 8.290 nan 0.000 0.599 159 T N -2.969 111.600 114.554 0.025 0.000 3.087 159 T HA 0.639 4.989 4.350 -0.000 0.000 0.283 159 T C 1.224 175.934 174.700 0.016 0.000 0.956 159 T CA 1.221 63.286 62.100 -0.058 0.000 0.894 159 T CB 0.486 69.085 68.868 -0.449 0.000 1.160 159 T HN 2.713 nan 8.240 nan 0.000 0.532 160 G N 2.429 111.261 108.800 0.053 0.000 2.298 160 G HA2 0.163 4.123 3.960 -0.000 0.000 0.309 160 G HA3 0.163 4.123 3.960 -0.000 0.000 0.309 160 G C -2.939 171.951 174.900 -0.016 0.000 1.279 160 G CA -0.419 44.716 45.100 0.058 0.000 1.042 160 G HN 0.068 nan 8.290 nan 0.000 0.480 161 P HA 0.482 nan 4.420 nan 0.000 0.226 161 P C 0.021 177.120 177.300 -0.335 0.000 1.783 161 P CA 0.991 64.016 63.100 -0.125 0.000 0.980 161 P CB 0.082 31.847 31.700 0.107 0.000 1.967 162 A N 1.180 123.732 122.820 -0.446 0.000 2.337 162 A HA 0.647 4.967 4.320 -0.000 0.000 0.331 162 A C 1.574 178.918 177.584 -0.400 0.000 1.137 162 A CA -0.206 51.651 52.037 -0.299 0.000 0.807 162 A CB 1.157 20.069 19.000 -0.146 0.000 1.250 162 A HN 0.220 nan 8.150 nan 0.000 0.468 163 A N 1.565 124.287 122.820 -0.164 0.000 1.903 163 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 163 A C 2.189 179.799 177.584 0.042 0.000 1.191 163 A CA 2.735 54.726 52.037 -0.077 0.000 0.638 163 A CB -1.339 17.462 19.000 -0.332 0.000 0.823 163 A HN 1.599 nan 8.150 nan 0.000 0.451 164 G N -1.554 107.244 108.800 -0.002 0.000 2.440 164 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 164 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 164 G C 1.555 176.545 174.900 0.150 0.000 1.154 164 G CA 1.681 46.837 45.100 0.093 0.000 0.767 164 G HN 0.461 nan 8.290 nan 0.000 0.552 165 T N -0.057 114.552 114.554 0.091 0.000 2.942 165 T HA -0.005 4.345 4.350 -0.000 0.000 0.265 165 T C 2.104 176.949 174.700 0.243 0.000 1.062 165 T CA 0.898 63.085 62.100 0.144 0.000 1.139 165 T CB -0.261 68.639 68.868 0.053 0.000 0.883 165 T HN 0.278 nan 8.240 nan 0.000 0.468 166 H N 1.246 120.402 119.070 0.143 0.000 2.387 166 H HA 0.102 4.658 4.556 -0.000 0.000 0.299 166 H C 2.382 177.644 175.328 -0.110 0.000 1.099 166 H CA 1.352 57.417 56.048 0.027 0.000 1.315 166 H CB -0.393 29.428 29.762 0.100 0.000 1.380 166 H HN 0.424 nan 8.280 nan 0.000 0.513 167 A N 0.043 122.933 122.820 0.117 0.000 2.014 167 A HA 0.095 4.415 4.320 -0.000 0.000 0.210 167 A C 1.270 178.922 177.584 0.114 0.000 1.188 167 A CA 0.970 52.986 52.037 -0.036 0.000 0.731 167 A CB 0.086 19.041 19.000 -0.074 0.000 0.858 167 A HN 0.445 nan 8.150 nan 0.000 0.464 168 T N -2.752 111.903 114.554 0.169 0.000 2.906 168 T HA 0.455 4.805 4.350 -0.000 0.000 0.295 168 T C -0.122 174.628 174.700 0.082 0.000 1.061 168 T CA 0.220 62.400 62.100 0.133 0.000 1.000 168 T CB 1.355 70.204 68.868 -0.033 0.000 1.103 168 T HN 0.293 nan 8.240 nan 0.000 0.486 169 T N 0.079 114.584 114.554 -0.081 0.000 4.058 169 T HA 0.454 4.803 4.350 -0.000 0.000 0.252 169 T C 0.042 174.766 174.700 0.039 0.000 1.264 169 T CA -0.678 61.298 62.100 -0.206 0.000 1.094 169 T CB -1.891 66.857 68.868 -0.200 0.000 1.316 169 T HN 0.698 nan 8.240 nan 0.000 0.872 170 C N 1.687 121.052 119.300 0.108 0.000 2.441 170 C HA 0.631 5.091 4.460 -0.000 0.000 0.318 170 C C 0.534 175.571 174.990 0.078 0.000 1.222 170 C CA -0.830 58.247 59.018 0.099 0.000 1.474 170 C CB 1.294 29.094 27.740 0.099 0.000 2.125 170 C HN 0.648 nan 8.230 nan 0.000 0.479 171 T N 4.513 119.104 114.554 0.062 0.000 2.929 171 T HA 0.307 4.657 4.350 -0.000 0.000 0.331 171 T C -2.691 172.031 174.700 0.037 0.000 1.120 171 T CA -0.736 61.399 62.100 0.058 0.000 0.973 171 T CB 0.360 69.288 68.868 0.100 0.000 1.036 171 T HN 0.423 nan 8.240 nan 0.000 0.502 172 P HA 0.372 nan 4.420 nan 0.000 0.270 172 P C 0.694 178.070 177.300 0.127 0.000 1.242 172 P CA 0.697 63.792 63.100 -0.009 0.000 0.768 172 P CB 0.267 31.919 31.700 -0.080 0.000 0.820 173 G N 5.392 114.234 108.800 0.069 0.000 2.819 173 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.682 173 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.682 173 G C -2.020 172.961 174.900 0.135 0.000 1.481 173 G CA -0.823 44.337 45.100 0.100 0.000 0.904 173 G HN 0.259 nan 8.290 nan 0.000 0.563 174 P HA -0.136 nan 4.420 nan 0.000 0.216 174 P C 1.661 179.022 177.300 0.102 0.000 1.157 174 P CA 2.209 65.360 63.100 0.086 0.000 0.880 174 P CB -0.001 31.743 31.700 0.074 0.000 0.791 175 W N -1.065 120.212 121.300 -0.038 0.000 2.354 175 W HA -0.186 4.474 4.660 -0.000 0.000 0.315 175 W C 2.310 178.760 176.519 -0.116 0.000 1.206 175 W CA 1.490 58.769 57.345 -0.111 0.000 1.290 175 W CB -1.141 28.201 29.460 -0.196 0.000 1.152 175 W HN -0.068 nan 8.180 nan 0.000 0.489 176 Y N -0.102 120.341 120.300 0.237 0.000 2.242 176 Y HA -0.223 4.327 4.550 -0.000 0.000 0.291 176 Y C 2.380 178.246 175.900 -0.057 0.000 1.137 176 Y CA 1.690 59.840 58.100 0.082 0.000 1.181 176 Y CB -0.470 38.094 38.460 0.173 0.000 0.989 176 Y HN -0.110 nan 8.280 nan 0.000 0.527 177 I N -1.056 119.590 120.570 0.127 0.000 2.179 177 I HA -0.346 3.824 4.170 -0.000 0.000 0.242 177 I C 2.332 178.418 176.117 -0.052 0.000 1.088 177 I CA 1.379 62.703 61.300 0.041 0.000 1.357 177 I CB -0.481 37.545 38.000 0.044 0.000 1.051 177 I HN 0.082 nan 8.210 nan 0.000 0.409 178 S N 0.351 115.983 115.700 -0.114 0.000 2.359 178 S HA -0.218 4.252 4.470 -0.000 0.000 0.224 178 S C 2.084 176.535 174.600 -0.249 0.000 1.035 178 S CA 1.352 59.443 58.200 -0.182 0.000 1.018 178 S CB -0.300 62.762 63.200 -0.230 0.000 0.876 178 S HN 0.270 nan 8.310 nan 0.000 0.448 179 R N 0.939 121.218 120.500 -0.369 0.000 2.081 179 R HA 0.117 4.457 4.340 -0.000 0.000 0.235 179 R C 2.268 178.444 176.300 -0.206 0.000 1.131 179 R CA 1.310 57.184 56.100 -0.377 0.000 0.960 179 R CB -0.371 29.598 30.300 -0.550 0.000 0.856 179 R HN 0.309 nan 8.270 nan 0.000 0.436 180 M N -0.292 119.226 119.600 -0.137 0.000 2.319 180 M HA -0.033 4.447 4.480 -0.000 0.000 0.265 180 M C 2.025 178.220 176.300 -0.175 0.000 1.068 180 M CA 1.223 56.435 55.300 -0.146 0.000 1.118 180 M CB -0.546 31.987 32.600 -0.112 0.000 1.395 180 M HN 0.166 nan 8.290 nan 0.000 0.435 181 L N -0.417 120.723 121.223 -0.138 0.000 2.093 181 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 181 L C 2.520 179.307 176.870 -0.139 0.000 1.085 181 L CA 1.135 55.901 54.840 -0.123 0.000 0.755 181 L CB -0.463 41.541 42.059 -0.092 0.000 0.904 181 L HN 0.381 nan 8.230 nan 0.000 0.435 182 Q N -0.369 119.342 119.800 -0.149 0.000 2.079 182 Q HA -0.156 4.184 4.340 -0.000 0.000 0.200 182 Q C 2.428 178.349 176.000 -0.132 0.000 0.974 182 Q CA 1.492 57.210 55.803 -0.142 0.000 0.840 182 Q CB -0.229 28.418 28.738 -0.152 0.000 0.898 182 Q HN 0.536 nan 8.270 nan 0.000 0.430 183 A N 1.190 123.923 122.820 -0.144 0.000 1.972 183 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 183 A C 2.296 179.788 177.584 -0.153 0.000 1.169 183 A CA 1.416 53.372 52.037 -0.136 0.000 0.635 183 A CB -0.685 18.226 19.000 -0.150 0.000 0.810 183 A HN 0.392 nan 8.150 nan 0.000 0.446 184 A N 0.068 122.774 122.820 -0.191 0.000 1.978 184 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 184 A C 1.665 179.189 177.584 -0.099 0.000 1.170 184 A CA 1.861 53.783 52.037 -0.193 0.000 0.636 184 A CB -0.566 18.320 19.000 -0.191 0.000 0.810 184 A HN 0.446 nan 8.150 nan 0.000 0.448 185 D N -0.137 120.217 120.400 -0.077 0.000 2.263 185 D HA -0.057 4.583 4.640 -0.000 0.000 0.208 185 D C 1.795 178.170 176.300 0.125 0.000 0.971 185 D CA 1.337 55.334 54.000 -0.005 0.000 0.867 185 D CB -0.103 40.623 40.800 -0.125 0.000 0.929 185 D HN 0.419 nan 8.370 nan 0.000 0.492 186 S N -0.457 115.268 115.700 0.041 0.000 2.558 186 S HA 0.111 4.581 4.470 -0.000 0.000 0.217 186 S C 0.955 175.561 174.600 0.011 0.000 0.975 186 S CA -0.055 58.167 58.200 0.038 0.000 0.912 186 S CB 0.546 63.749 63.200 0.005 0.000 0.776 186 S HN 0.182 nan 8.310 nan 0.000 0.526 187 L N 3.015 124.235 121.223 -0.006 0.000 2.309 187 L HA 0.345 4.685 4.340 -0.000 0.000 0.282 187 L C -1.917 174.970 176.870 0.028 0.000 1.036 187 L CA -2.160 52.682 54.840 0.003 0.000 0.806 187 L CB 1.016 43.057 42.059 -0.031 0.000 1.220 187 L HN -0.147 nan 8.230 nan 0.000 0.429 188 P HA 0.016 nan 4.420 nan 0.000 0.259 188 P C -0.411 176.925 177.300 0.060 0.000 1.480 188 P CA 0.283 63.407 63.100 0.041 0.000 0.842 188 P CB -0.083 31.635 31.700 0.030 0.000 1.513 189 V N -3.656 116.306 119.914 0.080 0.000 3.040 189 V HA 0.553 4.673 4.120 -0.000 0.000 0.312 189 V C -0.288 175.868 176.094 0.105 0.000 1.115 189 V CA -1.411 60.955 62.300 0.110 0.000 0.998 189 V CB 1.792 33.715 31.823 0.166 0.000 1.042 189 V HN -0.183 nan 8.190 nan 0.000 0.433 190 N N 1.655 120.431 118.700 0.127 0.000 2.530 190 N HA 0.605 5.345 4.740 -0.000 0.000 0.273 190 N C -0.761 174.885 175.510 0.226 0.000 1.173 190 N CA 0.102 53.217 53.050 0.108 0.000 0.967 190 N CB 1.350 39.950 38.487 0.189 0.000 1.109 190 N HN 0.729 nan 8.380 nan 0.000 0.453 191 I N -0.129 120.554 120.570 0.187 0.000 2.686 191 I HA 0.500 4.670 4.170 -0.000 0.000 0.295 191 I C 0.260 176.596 176.117 0.365 0.000 1.114 191 I CA -0.881 60.592 61.300 0.288 0.000 1.038 191 I CB 2.497 40.577 38.000 0.133 0.000 1.238 191 I HN 0.420 nan 8.210 nan 0.000 0.420 192 G N 5.686 114.718 108.800 0.388 0.000 2.638 192 G HA2 0.746 4.706 3.960 -0.000 0.000 0.302 192 G HA3 0.746 4.706 3.960 -0.000 0.000 0.302 192 G C -1.413 173.642 174.900 0.258 0.000 1.365 192 G CA -0.473 44.822 45.100 0.326 0.000 0.987 192 G HN 0.381 nan 8.290 nan 0.000 0.495 193 L N 1.047 122.389 121.223 0.198 0.000 2.334 193 L HA 0.616 4.956 4.340 -0.000 0.000 0.272 193 L C -0.299 176.656 176.870 0.143 0.000 1.020 193 L CA -0.961 53.996 54.840 0.195 0.000 0.812 193 L CB 2.071 44.213 42.059 0.138 0.000 1.264 193 L HN 0.202 nan 8.230 nan 0.000 0.439 194 L N 1.118 122.423 121.223 0.137 0.000 2.322 194 L HA 0.633 4.973 4.340 -0.000 0.000 0.281 194 L C 0.448 177.361 176.870 0.072 0.000 1.014 194 L CA -0.473 54.422 54.840 0.091 0.000 0.815 194 L CB 1.749 43.855 42.059 0.077 0.000 1.247 194 L HN 0.673 nan 8.230 nan 0.000 0.421 195 G N 1.279 110.103 108.800 0.041 0.000 2.531 195 G HA2 0.284 4.244 3.960 -0.000 0.000 0.313 195 G HA3 0.284 4.244 3.960 -0.000 0.000 0.313 195 G C -0.909 173.974 174.900 -0.028 0.000 1.238 195 G CA -0.579 44.527 45.100 0.011 0.000 0.994 195 G HN 0.526 nan 8.290 nan 0.000 0.493 196 K N 0.094 120.437 120.400 -0.096 0.000 2.310 196 K HA 0.277 4.597 4.320 -0.000 0.000 0.290 196 K C 1.072 177.587 176.600 -0.142 0.000 1.077 196 K CA -0.022 56.148 56.287 -0.194 0.000 0.922 196 K CB 0.499 32.736 32.500 -0.439 0.000 1.057 196 K HN 0.452 nan 8.250 nan 0.000 0.479 197 G N 3.519 112.269 108.800 -0.083 0.000 3.042 197 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.212 197 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.212 197 G C -0.011 174.863 174.900 -0.044 0.000 1.166 197 G CA -0.304 44.765 45.100 -0.053 0.000 0.767 197 G HN 0.623 nan 8.290 nan 0.000 0.546 198 N N 0.864 119.529 118.700 -0.058 0.000 2.739 198 N HA 0.410 5.150 4.740 -0.000 0.000 0.266 198 N C -0.933 174.557 175.510 -0.033 0.000 1.168 198 N CA 0.156 53.201 53.050 -0.009 0.000 1.055 198 N CB 1.203 39.737 38.487 0.079 0.000 1.393 198 N HN 0.031 nan 8.380 nan 0.000 0.514 199 V N -0.853 119.046 119.914 -0.025 0.000 3.147 199 V HA 0.322 4.442 4.120 -0.000 0.000 0.299 199 V C 0.227 176.313 176.094 -0.013 0.000 1.302 199 V CA -0.938 61.347 62.300 -0.024 0.000 1.015 199 V CB 2.093 33.892 31.823 -0.040 0.000 1.086 199 V HN 0.259 nan 8.190 nan 0.000 0.437 200 S N 0.678 116.373 115.700 -0.009 0.000 2.568 200 S HA 0.168 4.638 4.470 -0.000 0.000 0.232 200 S C 0.183 174.777 174.600 -0.009 0.000 0.975 200 S CA 0.007 58.203 58.200 -0.007 0.000 0.949 200 S CB 0.002 63.200 63.200 -0.002 0.000 0.829 200 S HN 0.794 nan 8.310 nan 0.000 0.479 201 Q N 1.732 121.525 119.800 -0.012 0.000 2.381 201 Q HA 0.418 4.758 4.340 -0.000 0.000 0.263 201 Q C -2.435 173.556 176.000 -0.014 0.000 1.030 201 Q CA -2.210 53.586 55.803 -0.012 0.000 0.772 201 Q CB 1.455 30.186 28.738 -0.012 0.000 1.232 201 Q HN -0.091 nan 8.270 nan 0.000 0.476 202 P HA -0.173 nan 4.420 nan 0.000 0.216 202 P C 0.202 177.494 177.300 -0.012 0.000 1.153 202 P CA 1.325 64.417 63.100 -0.012 0.000 0.858 202 P CB 0.372 32.066 31.700 -0.010 0.000 0.789 203 D N -0.809 119.585 120.400 -0.010 0.000 2.182 203 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 203 D C 1.903 178.197 176.300 -0.010 0.000 0.986 203 D CA 1.488 55.482 54.000 -0.009 0.000 0.847 203 D CB -0.599 40.197 40.800 -0.007 0.000 0.942 203 D HN 0.116 nan 8.370 nan 0.000 0.467 204 A N 0.201 123.012 122.820 -0.015 0.000 2.067 204 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 204 A C 2.300 179.871 177.584 -0.023 0.000 1.158 204 A CA 0.656 52.681 52.037 -0.020 0.000 0.661 204 A CB -0.354 18.629 19.000 -0.028 0.000 0.801 204 A HN 0.200 nan 8.150 nan 0.000 0.452 205 L N -1.672 119.538 121.223 -0.021 0.000 2.168 205 L HA -0.012 4.328 4.340 -0.000 0.000 0.203 205 L C 2.708 179.572 176.870 -0.011 0.000 1.078 205 L CA 0.632 55.460 54.840 -0.020 0.000 0.780 205 L CB -0.466 41.580 42.059 -0.021 0.000 0.939 205 L HN 0.284 nan 8.230 nan 0.000 0.451 206 R N 0.449 120.944 120.500 -0.008 0.000 2.105 206 R HA -0.183 4.157 4.340 -0.000 0.000 0.239 206 R C 2.081 178.382 176.300 0.001 0.000 1.135 206 R CA 1.400 57.498 56.100 -0.003 0.000 0.967 206 R CB -0.287 30.011 30.300 -0.004 0.000 0.861 206 R HN 0.456 nan 8.270 nan 0.000 0.442 207 E N 0.725 120.925 120.200 -0.000 0.000 2.077 207 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 207 E C 2.146 178.752 176.600 0.009 0.000 0.989 207 E CA 1.194 57.597 56.400 0.005 0.000 0.800 207 E CB -0.012 29.692 29.700 0.005 0.000 0.746 207 E HN 0.439 nan 8.360 nan 0.000 0.452 208 Q N 0.243 120.047 119.800 0.007 0.000 2.079 208 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 208 Q C 2.406 178.416 176.000 0.016 0.000 0.974 208 Q CA 1.276 57.087 55.803 0.012 0.000 0.840 208 Q CB 0.025 28.765 28.738 0.003 0.000 0.898 208 Q HN 0.161 nan 8.270 nan 0.000 0.430 209 V N 0.986 120.907 119.914 0.013 0.000 2.358 209 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 209 V C 2.245 178.350 176.094 0.019 0.000 1.047 209 V CA 1.756 64.067 62.300 0.018 0.000 1.035 209 V CB -0.922 30.909 31.823 0.013 0.000 0.658 209 V HN 0.367 nan 8.190 nan 0.000 0.452 210 A N -0.112 122.716 122.820 0.013 0.000 2.067 210 A HA 0.020 4.340 4.320 -0.000 0.000 0.219 210 A C 2.298 179.888 177.584 0.011 0.000 1.158 210 A CA 1.691 53.735 52.037 0.011 0.000 0.661 210 A CB -0.495 18.510 19.000 0.008 0.000 0.801 210 A HN 0.563 nan 8.150 nan 0.000 0.452 211 A N -2.112 120.715 122.820 0.013 0.000 2.067 211 A HA 0.405 4.725 4.320 -0.000 0.000 0.217 211 A C 1.746 179.335 177.584 0.009 0.000 1.156 211 A CA 1.635 53.678 52.037 0.010 0.000 0.683 211 A CB -0.347 18.663 19.000 0.016 0.000 0.808 211 A HN 1.574 nan 8.150 nan 0.000 0.455 212 G N -1.735 107.077 108.800 0.021 0.000 2.935 212 G HA2 0.034 3.994 3.960 -0.000 0.000 0.213 212 G HA3 0.034 3.994 3.960 -0.000 0.000 0.213 212 G C 0.315 175.245 174.900 0.051 0.000 0.984 212 G CA 0.053 45.171 45.100 0.030 0.000 0.790 212 G HN 1.363 nan 8.290 nan 0.000 0.538 213 V N 1.116 121.060 119.914 0.051 0.000 2.843 213 V HA 0.590 4.710 4.120 -0.000 0.000 0.305 213 V C 1.669 177.809 176.094 0.077 0.000 1.065 213 V CA 0.191 62.532 62.300 0.068 0.000 1.116 213 V CB 1.116 32.973 31.823 0.057 0.000 0.968 213 V HN 0.812 nan 8.190 nan 0.000 0.487 214 I N 0.405 121.035 120.570 0.100 0.000 3.928 214 I HA 0.753 4.923 4.170 -0.000 0.000 0.335 214 I C 0.667 176.848 176.117 0.106 0.000 1.325 214 I CA 0.366 61.730 61.300 0.106 0.000 1.107 214 I CB -0.214 37.863 38.000 0.128 0.000 1.014 214 I HN 0.897 nan 8.210 nan 0.000 0.400 215 G N 0.833 109.688 108.800 0.091 0.000 2.506 215 G HA2 0.606 4.566 3.960 -0.000 0.000 0.292 215 G HA3 0.606 4.566 3.960 -0.000 0.000 0.292 215 G C -1.642 173.284 174.900 0.044 0.000 1.425 215 G CA -0.704 44.445 45.100 0.082 0.000 0.788 215 G HN 0.083 nan 8.290 nan 0.000 0.490 219 H N 5.480 124.637 119.070 0.145 0.000 2.600 219 H HA 0.387 4.943 4.556 -0.000 0.000 0.357 219 H C 0.601 175.935 175.328 0.009 0.000 1.106 219 H CA -0.301 55.802 56.048 0.092 0.000 1.193 219 H CB 2.396 32.277 29.762 0.198 0.000 1.594 219 H HN 0.841 nan 8.280 nan 0.000 0.526 220 E N 2.292 122.395 120.200 -0.163 0.000 2.204 220 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 220 E C 0.093 176.716 176.600 0.038 0.000 0.990 220 E CA 1.490 57.855 56.400 -0.058 0.000 0.821 220 E CB 0.174 29.791 29.700 -0.138 0.000 0.750 220 E HN 0.462 nan 8.360 nan 0.000 0.477 221 D N 0.201 120.698 120.400 0.161 0.000 2.263 221 D HA -0.128 4.511 4.640 -0.000 0.000 0.208 221 D C 0.563 176.759 176.300 -0.174 0.000 0.971 221 D CA 0.971 54.918 54.000 -0.089 0.000 0.867 221 D CB -0.215 40.413 40.800 -0.287 0.000 0.929 221 D HN 0.496 nan 8.370 nan 0.000 0.492 222 W N 0.239 121.579 121.300 0.068 0.000 3.127 222 W HA 0.409 5.069 4.660 -0.000 0.000 0.344 222 W C 0.571 177.103 176.519 0.022 0.000 1.151 222 W CA -0.099 57.266 57.345 0.034 0.000 1.765 222 W CB 0.833 30.312 29.460 0.033 0.000 1.085 222 W HN -0.074 nan 8.180 nan 0.000 0.596 223 G N 1.377 110.294 108.800 0.195 0.000 2.780 223 G HA2 0.076 4.036 3.960 -0.000 0.000 0.364 223 G HA3 0.076 4.036 3.960 -0.000 0.000 0.364 223 G C -0.243 174.710 174.900 0.088 0.000 1.045 223 G CA -0.591 44.572 45.100 0.105 0.000 1.202 223 G HN 0.412 nan 8.290 nan 0.000 0.534 224 A N 2.331 125.182 122.820 0.051 0.000 3.118 224 A HA 0.681 5.001 4.320 -0.000 0.000 0.256 224 A C 1.244 178.844 177.584 0.027 0.000 1.667 224 A CA 0.833 52.894 52.037 0.041 0.000 1.338 224 A CB -0.488 18.528 19.000 0.026 0.000 1.127 224 A HN 2.027 nan 8.150 nan 0.000 0.634 225 T N -2.373 112.197 114.554 0.027 0.000 2.899 225 T HA 0.441 4.791 4.350 -0.000 0.000 0.284 225 T C -1.839 172.873 174.700 0.019 0.000 1.004 225 T CA -1.696 60.415 62.100 0.018 0.000 1.043 225 T CB 1.141 70.016 68.868 0.012 0.000 1.013 225 T HN 0.081 nan 8.240 nan 0.000 0.518 226 P HA -0.074 nan 4.420 nan 0.000 0.216 226 P C 1.613 178.915 177.300 0.003 0.000 1.150 226 P CA 1.481 64.587 63.100 0.009 0.000 0.843 226 P CB -0.229 31.473 31.700 0.003 0.000 0.787 227 A N -0.128 122.694 122.820 0.003 0.000 1.873 227 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 227 A C 2.319 179.904 177.584 0.001 0.000 1.186 227 A CA 2.047 54.084 52.037 0.000 0.000 0.616 227 A CB -1.586 17.415 19.000 0.000 0.000 0.823 227 A HN 0.190 nan 8.150 nan 0.000 0.442 228 A N -0.068 122.756 122.820 0.007 0.000 1.902 228 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 228 A C 2.129 179.715 177.584 0.002 0.000 1.181 228 A CA 1.500 53.542 52.037 0.008 0.000 0.623 228 A CB -0.624 18.389 19.000 0.022 0.000 0.818 228 A HN 0.493 nan 8.150 nan 0.000 0.443 229 I N -0.255 120.317 120.570 0.004 0.000 2.179 229 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 229 I C 2.344 178.454 176.117 -0.012 0.000 1.088 229 I CA 1.969 63.267 61.300 -0.004 0.000 1.357 229 I CB -0.432 37.569 38.000 0.001 0.000 1.051 229 I HN 0.411 nan 8.210 nan 0.000 0.409 230 D N 0.197 120.591 120.400 -0.010 0.000 2.123 230 D HA -0.238 4.402 4.640 -0.000 0.000 0.196 230 D C 2.309 178.601 176.300 -0.014 0.000 0.992 230 D CA 1.342 55.334 54.000 -0.013 0.000 0.833 230 D CB -0.184 40.610 40.800 -0.010 0.000 0.954 230 D HN 0.394 nan 8.370 nan 0.000 0.455 231 C N 0.052 119.345 119.300 -0.012 0.000 2.413 231 C HA 0.008 4.468 4.460 -0.000 0.000 0.276 231 C C 2.912 177.892 174.990 -0.017 0.000 1.236 231 C CA 1.627 60.637 59.018 -0.013 0.000 1.735 231 C CB -1.491 26.242 27.740 -0.012 0.000 2.031 231 C HN 0.451 nan 8.230 nan 0.000 0.474 232 A N 0.059 122.868 122.820 -0.019 0.000 1.908 232 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 232 A C 2.180 179.749 177.584 -0.026 0.000 1.181 232 A CA 1.867 53.890 52.037 -0.023 0.000 0.627 232 A CB -0.732 18.252 19.000 -0.026 0.000 0.818 232 A HN 0.682 nan 8.150 nan 0.000 0.445 233 L N -0.874 120.332 121.223 -0.027 0.000 2.141 233 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 233 L C 2.761 179.616 176.870 -0.025 0.000 1.094 233 L CA 1.600 56.422 54.840 -0.030 0.000 0.763 233 L CB -0.724 41.316 42.059 -0.032 0.000 0.908 233 L HN 0.350 nan 8.230 nan 0.000 0.437 234 T N -0.645 113.897 114.554 -0.021 0.000 2.708 234 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 234 T C 1.978 176.668 174.700 -0.017 0.000 1.037 234 T CA 1.381 63.471 62.100 -0.017 0.000 1.146 234 T CB -0.144 68.715 68.868 -0.015 0.000 0.865 234 T HN 0.059 nan 8.240 nan 0.000 0.435 235 V N 1.653 121.557 119.914 -0.016 0.000 2.427 235 V HA -0.124 3.996 4.120 -0.000 0.000 0.248 235 V C 2.864 178.950 176.094 -0.015 0.000 1.051 235 V CA 1.549 63.841 62.300 -0.014 0.000 1.048 235 V CB -1.182 30.633 31.823 -0.014 0.000 0.666 235 V HN 0.513 nan 8.190 nan 0.000 0.456 236 A N -0.120 122.689 122.820 -0.019 0.000 1.902 236 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 236 A C 1.988 179.559 177.584 -0.022 0.000 1.181 236 A CA 2.091 54.115 52.037 -0.022 0.000 0.623 236 A CB -0.632 18.350 19.000 -0.031 0.000 0.818 236 A HN 0.513 nan 8.150 nan 0.000 0.443 237 D N -0.284 120.102 120.400 -0.023 0.000 2.178 237 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 237 D C 2.011 178.301 176.300 -0.018 0.000 0.980 237 D CA 1.537 55.524 54.000 -0.022 0.000 0.842 237 D CB -0.194 40.593 40.800 -0.021 0.000 0.948 237 D HN 0.881 nan 8.370 nan 0.000 0.472 238 E N -0.688 119.503 120.200 -0.014 0.000 2.340 238 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 238 E C 1.496 178.090 176.600 -0.009 0.000 0.996 238 E CA 0.236 56.629 56.400 -0.011 0.000 0.869 238 E CB -0.012 29.683 29.700 -0.010 0.000 0.835 238 E HN 0.201 nan 8.360 nan 0.000 0.493 239 M N 0.920 120.515 119.600 -0.008 0.000 2.333 239 M HA 0.143 4.623 4.480 -0.000 0.000 0.257 239 M C -0.345 175.953 176.300 -0.002 0.000 1.078 239 M CA -0.101 55.197 55.300 -0.003 0.000 1.005 239 M CB 0.469 33.070 32.600 0.001 0.000 1.444 239 M HN -0.118 nan 8.290 nan 0.000 0.496 240 D N 2.914 123.309 120.400 -0.009 0.000 2.705 240 D HA -0.152 4.488 4.640 -0.000 0.000 0.240 240 D C -1.036 175.261 176.300 -0.004 0.000 1.137 240 D CA 0.638 54.631 54.000 -0.012 0.000 0.677 240 D CB -0.798 39.995 40.800 -0.013 0.000 1.049 240 D HN 0.530 nan 8.370 nan 0.000 0.427 241 I N -2.555 118.012 120.570 -0.006 0.000 3.002 241 I HA 0.720 4.890 4.170 -0.000 0.000 0.310 241 I C -0.032 176.074 176.117 -0.019 0.000 1.087 241 I CA -1.175 60.128 61.300 0.005 0.000 1.017 241 I CB 1.541 39.554 38.000 0.020 0.000 1.226 241 I HN -0.125 nan 8.210 nan 0.000 0.443 242 Q N 1.611 121.403 119.800 -0.015 0.000 2.214 242 Q HA 0.730 5.070 4.340 -0.000 0.000 0.251 242 Q C -1.474 174.495 176.000 -0.052 0.000 0.936 242 Q CA -0.634 55.122 55.803 -0.078 0.000 0.894 242 Q CB 1.948 30.549 28.738 -0.228 0.000 1.252 242 Q HN 0.649 nan 8.270 nan 0.000 0.448 243 V N 2.123 121.981 119.914 -0.094 0.000 2.459 243 V HA 0.859 4.979 4.120 -0.000 0.000 0.295 243 V C -0.702 175.275 176.094 -0.194 0.000 1.029 243 V CA -0.667 61.568 62.300 -0.108 0.000 0.874 243 V CB 1.439 33.206 31.823 -0.093 0.000 0.985 243 V HN 0.861 nan 8.190 nan 0.000 0.438 244 A N 4.960 127.591 122.820 -0.316 0.000 2.318 244 A HA 0.881 5.201 4.320 -0.000 0.000 0.324 244 A C -1.138 176.093 177.584 -0.589 0.000 1.170 244 A CA -0.481 51.117 52.037 -0.732 0.000 0.810 244 A CB 1.234 19.468 19.000 -1.277 0.000 1.198 244 A HN 0.805 nan 8.150 nan 0.000 0.484 245 L N 1.996 122.890 121.223 -0.548 0.000 2.346 245 L HA 0.602 4.942 4.340 -0.000 0.000 0.276 245 L C -0.483 176.299 176.870 -0.147 0.000 1.006 245 L CA -0.199 54.488 54.840 -0.255 0.000 0.817 245 L CB 1.640 43.615 42.059 -0.140 0.000 1.272 245 L HN 0.803 nan 8.230 nan 0.000 0.421 246 H N 3.151 122.147 119.070 -0.124 0.000 2.887 246 H HA 0.537 5.093 4.556 -0.000 0.000 0.300 246 H C -0.464 174.825 175.328 -0.066 0.000 1.038 246 H CA -0.404 55.622 56.048 -0.036 0.000 1.352 246 H CB 0.951 30.625 29.762 -0.146 0.000 1.473 246 H HN 0.837 nan 8.280 nan 0.000 0.503 247 S N 2.670 118.482 115.700 0.187 0.000 2.626 247 S HA -0.042 4.428 4.470 -0.000 0.000 0.257 247 S C 0.433 175.016 174.600 -0.029 0.000 1.288 247 S CA -0.825 57.419 58.200 0.073 0.000 0.980 247 S CB 0.967 64.221 63.200 0.090 0.000 0.975 247 S HN 0.753 nan 8.310 nan 0.000 0.577 248 D N 0.545 120.765 120.400 -0.300 0.000 2.398 248 D HA 0.170 4.810 4.640 -0.000 0.000 0.250 248 D C 1.020 177.025 176.300 -0.492 0.000 1.287 248 D CA 0.095 53.882 54.000 -0.356 0.000 0.992 248 D CB -0.168 40.463 40.800 -0.282 0.000 1.071 248 D HN 0.551 nan 8.370 nan 0.000 0.514 249 T N 3.561 118.013 114.554 -0.170 0.000 2.720 249 T HA -0.145 4.204 4.350 -0.000 0.000 0.268 249 T C 1.986 176.682 174.700 -0.005 0.000 1.037 249 T CA 0.771 62.855 62.100 -0.027 0.000 1.144 249 T CB -0.028 68.968 68.868 0.213 0.000 0.864 249 T HN 0.440 nan 8.240 nan 0.000 0.444 250 L N 0.958 122.121 121.223 -0.099 0.000 2.450 250 L HA -0.018 4.322 4.340 -0.000 0.000 0.224 250 L C 0.756 177.613 176.870 -0.023 0.000 1.149 250 L CA 0.324 55.101 54.840 -0.105 0.000 0.816 250 L CB -0.785 41.130 42.059 -0.240 0.000 0.932 250 L HN 0.299 nan 8.230 nan 0.000 0.449 251 N N -0.002 118.698 118.700 0.000 0.000 2.714 251 N HA -0.268 4.472 4.740 -0.000 0.000 0.250 251 N C 1.143 176.598 175.510 -0.092 0.000 1.117 251 N CA 1.283 54.374 53.050 0.068 0.000 0.719 251 N CB -1.023 37.591 38.487 0.212 0.000 1.081 251 N HN 0.583 nan 8.380 nan 0.000 0.557 252 E N 0.488 120.635 120.200 -0.088 0.000 2.077 252 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 252 E C 1.495 178.035 176.600 -0.101 0.000 0.989 252 E CA 1.759 58.099 56.400 -0.100 0.000 0.800 252 E CB 0.111 29.751 29.700 -0.100 0.000 0.746 252 E HN 0.544 nan 8.360 nan 0.000 0.452 253 S N -1.246 114.409 115.700 -0.075 0.000 2.517 253 S HA 0.384 4.854 4.470 -0.000 0.000 0.214 253 S C 0.578 175.127 174.600 -0.086 0.000 0.991 253 S CA 0.058 58.221 58.200 -0.062 0.000 0.906 253 S CB 1.273 64.459 63.200 -0.023 0.000 0.789 253 S HN 0.409 nan 8.310 nan 0.000 0.513 254 G N -0.077 108.648 108.800 -0.125 0.000 2.320 254 G HA2 0.397 4.357 3.960 -0.000 0.000 0.297 254 G HA3 0.397 4.357 3.960 -0.000 0.000 0.297 254 G C -1.161 173.627 174.900 -0.186 0.000 1.344 254 G CA -1.133 43.834 45.100 -0.222 0.000 0.851 254 G HN 0.164 nan 8.290 nan 0.000 0.567 255 F N -1.063 118.875 119.950 -0.019 0.000 2.321 255 F HA 0.507 5.034 4.527 -0.000 0.000 0.318 255 F C 1.883 177.308 175.800 -0.625 0.000 1.129 255 F CA -0.042 57.865 58.000 -0.154 0.000 1.074 255 F CB 1.329 40.281 39.000 -0.079 0.000 1.432 255 F HN 0.303 nan 8.300 nan 0.000 0.502 256 V N 1.448 121.040 119.914 -0.537 0.000 2.392 256 V HA -0.241 3.879 4.120 -0.000 0.000 0.249 256 V C 2.221 178.156 176.094 -0.265 0.000 1.059 256 V CA 2.444 64.364 62.300 -0.633 0.000 1.051 256 V CB -0.625 31.058 31.823 -0.233 0.000 0.658 256 V HN 0.823 nan 8.190 nan 0.000 0.455 257 E N -1.003 119.133 120.200 -0.107 0.000 2.204 257 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 257 E C 1.652 178.224 176.600 -0.047 0.000 0.990 257 E CA 1.684 58.057 56.400 -0.046 0.000 0.821 257 E CB -0.622 29.086 29.700 0.013 0.000 0.750 257 E HN 0.671 nan 8.360 nan 0.000 0.477 258 D N 0.953 121.324 120.400 -0.048 0.000 2.123 258 D HA -0.063 4.577 4.640 -0.000 0.000 0.200 258 D C 1.805 178.083 176.300 -0.036 0.000 0.976 258 D CA 1.616 55.597 54.000 -0.032 0.000 0.831 258 D CB -0.097 40.687 40.800 -0.026 0.000 0.974 258 D HN 0.191 nan 8.370 nan 0.000 0.469 259 T N 1.702 116.225 114.554 -0.051 0.000 2.708 259 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 259 T C 2.279 176.952 174.700 -0.045 0.000 1.037 259 T CA 0.553 62.656 62.100 0.005 0.000 1.146 259 T CB -0.274 68.661 68.868 0.112 0.000 0.865 259 T HN 0.088 nan 8.240 nan 0.000 0.435 260 L N 0.688 121.851 121.223 -0.100 0.000 2.079 260 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 260 L C 2.971 179.777 176.870 -0.106 0.000 1.081 260 L CA 1.228 55.974 54.840 -0.156 0.000 0.752 260 L CB -0.606 41.301 42.059 -0.253 0.000 0.896 260 L HN 0.247 nan 8.230 nan 0.000 0.433 261 A N -0.151 122.630 122.820 -0.066 0.000 1.930 261 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 261 A C 2.526 180.092 177.584 -0.031 0.000 1.175 261 A CA 1.541 53.556 52.037 -0.037 0.000 0.627 261 A CB -0.618 18.370 19.000 -0.021 0.000 0.815 261 A HN 0.391 nan 8.150 nan 0.000 0.443 262 A N -0.003 122.800 122.820 -0.028 0.000 1.933 262 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 262 A C 2.066 179.634 177.584 -0.026 0.000 1.175 262 A CA 1.439 53.465 52.037 -0.020 0.000 0.628 262 A CB -0.589 18.406 19.000 -0.009 0.000 0.814 262 A HN 0.501 nan 8.150 nan 0.000 0.444 263 I N -0.450 120.096 120.570 -0.040 0.000 2.286 263 I HA -0.101 4.069 4.170 -0.000 0.000 0.248 263 I C 1.765 177.857 176.117 -0.041 0.000 1.115 263 I CA 0.890 62.162 61.300 -0.047 0.000 1.392 263 I CB -0.686 37.273 38.000 -0.069 0.000 1.065 263 I HN 0.474 nan 8.210 nan 0.000 0.418 264 G N 1.200 109.976 108.800 -0.039 0.000 2.366 264 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.299 264 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.299 264 G C 0.996 175.883 174.900 -0.021 0.000 1.020 264 G CA 0.448 45.533 45.100 -0.026 0.000 1.026 264 G HN 0.922 nan 8.290 nan 0.000 0.512 265 G N -1.706 107.079 108.800 -0.025 0.000 2.168 265 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.263 265 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.263 265 G C 0.577 175.465 174.900 -0.019 0.000 0.977 265 G CA 1.103 46.196 45.100 -0.012 0.000 0.659 265 G HN 1.026 nan 8.290 nan 0.000 0.533 266 R N 0.388 120.870 120.500 -0.030 0.000 2.531 266 R HA 0.488 4.828 4.340 -0.000 0.000 0.273 266 R C 0.454 176.728 176.300 -0.042 0.000 1.070 266 R CA -0.070 56.010 56.100 -0.034 0.000 1.112 266 R CB 0.481 30.761 30.300 -0.034 0.000 1.049 266 R HN 0.147 nan 8.270 nan 0.000 0.508 267 T N 2.855 117.381 114.554 -0.046 0.000 2.902 267 T HA 0.225 4.575 4.350 -0.000 0.000 0.301 267 T C 0.114 174.772 174.700 -0.070 0.000 1.012 267 T CA 0.403 62.468 62.100 -0.059 0.000 1.151 267 T CB 0.074 68.903 68.868 -0.066 0.000 0.946 267 T HN 0.377 nan 8.240 nan 0.000 0.542 268 I N 1.734 122.259 120.570 -0.074 0.000 2.787 268 I HA 0.238 4.408 4.170 -0.000 0.000 0.294 268 I C -0.849 175.236 176.117 -0.052 0.000 1.365 268 I CA -0.863 60.389 61.300 -0.079 0.000 1.029 268 I CB 2.139 40.090 38.000 -0.081 0.000 1.313 268 I HN 0.740 nan 8.210 nan 0.000 0.431 269 H N 5.512 124.455 119.070 -0.211 0.000 2.594 269 H HA 0.402 4.958 4.556 -0.000 0.000 0.304 269 H C -0.780 174.404 175.328 -0.241 0.000 1.068 269 H CA -0.558 55.365 56.048 -0.207 0.000 1.308 269 H CB 0.950 30.574 29.762 -0.230 0.000 1.409 269 H HN 0.590 nan 8.280 nan 0.000 0.460 270 T N 3.652 118.246 114.554 0.067 0.000 2.728 270 T HA 0.186 4.536 4.350 -0.000 0.000 0.296 270 T C -0.047 174.633 174.700 -0.033 0.000 0.940 270 T CA -0.792 61.256 62.100 -0.086 0.000 1.013 270 T CB 0.114 68.938 68.868 -0.074 0.000 0.912 270 T HN 0.197 nan 8.240 nan 0.000 0.484 271 F N 3.833 123.534 119.950 -0.415 0.000 2.450 271 F HA 0.229 4.756 4.527 -0.000 0.000 0.339 271 F C 1.566 176.946 175.800 -0.701 0.000 1.146 271 F CA -0.892 56.781 58.000 -0.546 0.000 1.267 271 F CB -0.188 38.384 39.000 -0.714 0.000 1.178 271 F HN 0.957 nan 8.300 nan 0.000 0.585 272 H N -0.887 118.344 119.070 0.268 0.000 2.166 272 H HA -0.207 4.349 4.556 -0.000 0.000 0.323 272 H C 0.735 176.137 175.328 0.124 0.000 0.936 272 H CA 0.452 56.599 56.048 0.166 0.000 1.073 272 H CB -2.425 27.396 29.762 0.098 0.000 1.592 272 H HN 0.525 nan 8.280 nan 0.000 0.346 273 T N -0.820 113.825 114.554 0.151 0.000 2.946 273 T HA -0.233 4.117 4.350 -0.000 0.000 0.271 273 T C 1.753 176.618 174.700 0.275 0.000 1.104 273 T CA 1.268 63.410 62.100 0.070 0.000 1.114 273 T CB 0.027 68.671 68.868 -0.373 0.000 0.867 273 T HN 0.705 nan 8.240 nan 0.000 0.513 274 E N 0.838 121.283 120.200 0.408 0.000 2.150 274 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 274 E C 1.925 178.604 176.600 0.131 0.000 0.985 274 E CA 1.241 57.809 56.400 0.280 0.000 0.814 274 E CB -0.284 29.529 29.700 0.187 0.000 0.752 274 E HN 0.595 nan 8.360 nan 0.000 0.466 275 G N -0.188 108.686 108.800 0.123 0.000 2.352 275 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.204 275 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.204 275 G C 1.378 176.226 174.900 -0.087 0.000 1.004 275 G CA 0.616 45.729 45.100 0.022 0.000 0.648 275 G HN 0.552 nan 8.290 nan 0.000 0.491 276 A N 0.818 123.589 122.820 -0.081 0.000 1.940 276 A HA 0.299 4.619 4.320 -0.000 0.000 0.219 276 A C 2.631 180.126 177.584 -0.148 0.000 1.176 276 A CA 2.518 54.494 52.037 -0.101 0.000 0.631 276 A CB -0.919 18.030 19.000 -0.086 0.000 0.814 276 A HN 1.662 nan 8.150 nan 0.000 0.446 277 G N -1.632 106.997 108.800 -0.285 0.000 2.848 277 G HA2 0.434 4.394 3.960 -0.000 0.000 0.208 277 G HA3 0.434 4.394 3.960 -0.000 0.000 0.208 277 G C 0.677 174.986 174.900 -0.985 0.000 1.152 277 G CA 0.779 45.545 45.100 -0.557 0.000 0.789 277 G HN 1.642 nan 8.290 nan 0.000 0.531 278 G N -2.222 106.097 108.800 -0.801 0.000 2.351 278 G HA2 0.573 4.533 3.960 -0.000 0.000 0.472 278 G HA3 0.573 4.533 3.960 -0.000 0.000 0.472 278 G C -0.308 174.348 174.900 -0.406 0.000 1.570 278 G CA -0.080 44.578 45.100 -0.738 0.000 0.921 278 G HN 1.782 nan 8.290 nan 0.000 0.674 279 G N 0.480 109.195 108.800 -0.142 0.000 2.317 279 G HA2 0.479 4.439 3.960 -0.000 0.000 0.445 279 G HA3 0.479 4.439 3.960 -0.000 0.000 0.445 279 G C -0.490 174.418 174.900 0.013 0.000 1.486 279 G CA -0.444 44.645 45.100 -0.019 0.000 0.991 279 G HN 1.401 nan 8.290 nan 0.000 0.660 280 H N 0.104 119.219 119.070 0.075 0.000 3.232 280 H HA 0.227 4.783 4.556 -0.000 0.000 0.276 280 H C 1.108 176.473 175.328 0.062 0.000 0.882 280 H CA 1.520 57.621 56.048 0.088 0.000 1.415 280 H CB 0.438 30.260 29.762 0.100 0.000 1.405 280 H HN 0.958 nan 8.280 nan 0.000 0.543 281 A N 7.008 129.922 122.820 0.157 0.000 2.328 281 A HA 0.274 4.594 4.320 -0.000 0.000 0.284 281 A C -1.472 176.158 177.584 0.077 0.000 1.160 281 A CA -1.206 50.868 52.037 0.062 0.000 0.818 281 A CB 0.669 19.695 19.000 0.042 0.000 1.087 281 A HN 0.543 nan 8.150 nan 0.000 0.504 282 P HA 0.151 nan 4.420 nan 0.000 0.290 282 P C -0.554 176.724 177.300 -0.037 0.000 1.447 282 P CA 0.171 63.193 63.100 -0.131 0.000 1.127 282 P CB 0.537 32.007 31.700 -0.384 0.000 1.555 283 D N -0.623 119.799 120.400 0.036 0.000 2.525 283 D HA 0.025 4.665 4.640 -0.000 0.000 0.229 283 D C 1.305 177.653 176.300 0.079 0.000 1.202 283 D CA -0.633 53.397 54.000 0.051 0.000 0.828 283 D CB -0.545 40.275 40.800 0.033 0.000 1.008 283 D HN -0.009 nan 8.370 nan 0.000 0.493 284 I N 0.459 121.094 120.570 0.108 0.000 2.567 284 I HA -0.079 4.091 4.170 -0.000 0.000 0.257 284 I C 1.647 177.827 176.117 0.105 0.000 1.184 284 I CA 0.746 62.121 61.300 0.126 0.000 1.451 284 I CB -0.151 37.935 38.000 0.143 0.000 1.089 284 I HN 0.198 nan 8.210 nan 0.000 0.441 285 I N 0.371 121.012 120.570 0.118 0.000 2.567 285 I HA -0.284 3.886 4.170 -0.000 0.000 0.257 285 I C 2.024 178.230 176.117 0.149 0.000 1.184 285 I CA 1.689 63.091 61.300 0.171 0.000 1.451 285 I CB -0.318 37.792 38.000 0.183 0.000 1.089 285 I HN 0.483 nan 8.210 nan 0.000 0.441 286 T N -1.580 113.040 114.554 0.110 0.000 3.098 286 T HA 0.059 4.409 4.350 -0.000 0.000 0.266 286 T C 1.774 176.564 174.700 0.151 0.000 1.145 286 T CA 0.671 62.838 62.100 0.111 0.000 1.092 286 T CB -0.346 68.577 68.868 0.092 0.000 0.908 286 T HN 0.380 nan 8.240 nan 0.000 0.526 287 A N 1.319 124.208 122.820 0.115 0.000 2.015 287 A HA -0.023 4.296 4.320 -0.000 0.000 0.219 287 A C 2.594 180.260 177.584 0.137 0.000 1.163 287 A CA 1.187 53.292 52.037 0.114 0.000 0.646 287 A CB -1.475 17.528 19.000 0.004 0.000 0.806 287 A HN 0.987 nan 8.150 nan 0.000 0.448 288 C N -1.735 117.600 119.300 0.058 0.000 2.485 288 C HA 0.418 4.878 4.460 -0.000 0.000 0.283 288 C C 2.288 177.303 174.990 0.041 0.000 1.478 288 C CA 0.035 59.059 59.018 0.011 0.000 1.741 288 C CB -1.805 25.949 27.740 0.023 0.000 1.675 288 C HN 0.623 nan 8.230 nan 0.000 0.573 289 A N -0.677 122.176 122.820 0.055 0.000 2.132 289 A HA 0.175 4.495 4.320 -0.000 0.000 0.213 289 A C 0.940 178.406 177.584 -0.196 0.000 1.154 289 A CA 0.137 52.125 52.037 -0.083 0.000 0.753 289 A CB -0.539 18.366 19.000 -0.159 0.000 0.826 289 A HN 0.842 nan 8.150 nan 0.000 0.469 290 H N 0.064 119.122 119.070 -0.020 0.000 2.525 290 H HA 0.163 4.719 4.556 -0.000 0.000 0.339 290 H C -1.633 173.677 175.328 -0.031 0.000 1.109 290 H CA -1.455 54.579 56.048 -0.024 0.000 1.352 290 H CB 1.136 30.883 29.762 -0.025 0.000 1.461 290 H HN 0.163 nan 8.280 nan 0.000 0.533 291 P HA -0.132 nan 4.420 nan 0.000 0.223 291 P C 0.763 178.071 177.300 0.013 0.000 1.151 291 P CA 1.037 64.149 63.100 0.020 0.000 0.787 291 P CB 0.368 32.073 31.700 0.008 0.000 0.788 292 N N -0.420 118.298 118.700 0.030 0.000 2.336 292 N HA 0.019 4.759 4.740 -0.000 0.000 0.189 292 N C 0.283 175.780 175.510 -0.023 0.000 1.113 292 N CA 0.104 53.151 53.050 -0.005 0.000 0.858 292 N CB -0.003 38.479 38.487 -0.007 0.000 0.970 292 N HN 0.098 nan 8.380 nan 0.000 0.471 293 I N 2.004 122.570 120.570 -0.008 0.000 2.321 293 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 293 I C -0.052 176.029 176.117 -0.061 0.000 0.998 293 I CA -0.772 60.507 61.300 -0.034 0.000 1.227 293 I CB 1.458 39.449 38.000 -0.016 0.000 1.368 293 I HN -0.060 nan 8.210 nan 0.000 0.466 294 L N 8.722 129.897 121.223 -0.081 0.000 2.283 294 L HA 0.391 4.731 4.340 -0.000 0.000 0.281 294 L C -2.313 174.495 176.870 -0.102 0.000 1.033 294 L CA -1.553 53.210 54.840 -0.129 0.000 0.848 294 L CB 1.181 43.119 42.059 -0.202 0.000 1.226 294 L HN 0.320 nan 8.230 nan 0.000 0.429 295 P HA 0.277 nan 4.420 nan 0.000 0.296 295 P C -0.890 176.283 177.300 -0.211 0.000 1.306 295 P CA -0.344 62.606 63.100 -0.249 0.000 0.818 295 P CB 1.907 33.287 31.700 -0.534 0.000 0.969 296 S N 1.720 117.406 115.700 -0.024 0.000 2.634 296 S HA 0.744 5.214 4.470 -0.000 0.000 0.296 296 S C -0.389 174.343 174.600 0.221 0.000 1.104 296 S CA -0.687 57.614 58.200 0.169 0.000 0.920 296 S CB 1.219 64.671 63.200 0.420 0.000 1.111 296 S HN 0.310 nan 8.310 nan 0.000 0.493 297 S N 1.101 117.031 115.700 0.384 0.000 2.568 297 S HA 0.788 5.258 4.470 -0.000 0.000 0.302 297 S C -0.080 174.658 174.600 0.231 0.000 1.082 297 S CA -0.764 57.683 58.200 0.412 0.000 1.009 297 S CB 1.650 65.201 63.200 0.585 0.000 1.069 297 S HN 0.985 nan 8.310 nan 0.000 0.500 298 T N 0.064 114.720 114.554 0.169 0.000 2.912 298 T HA 0.316 4.666 4.350 -0.000 0.000 0.280 298 T C 0.950 175.667 174.700 0.029 0.000 0.989 298 T CA -0.799 61.313 62.100 0.020 0.000 0.995 298 T CB 0.497 69.333 68.868 -0.053 0.000 1.077 298 T HN 0.588 nan 8.240 nan 0.000 0.531 299 N N 0.181 118.862 118.700 -0.032 0.000 2.424 299 N HA 0.048 4.788 4.740 -0.000 0.000 0.178 299 N C -1.023 174.486 175.510 -0.001 0.000 1.060 299 N CA -0.297 52.739 53.050 -0.023 0.000 0.901 299 N CB -1.286 37.165 38.487 -0.060 0.000 0.979 299 N HN 0.425 nan 8.380 nan 0.000 0.451 300 P HA -0.053 nan 4.420 nan 0.000 0.225 300 P C 0.570 177.971 177.300 0.168 0.000 1.148 300 P CA 1.315 64.450 63.100 0.058 0.000 0.779 300 P CB -0.237 31.455 31.700 -0.013 0.000 0.780 301 T N -3.502 111.131 114.554 0.133 0.000 3.107 301 T HA 0.241 4.591 4.350 -0.000 0.000 0.249 301 T C 0.619 175.360 174.700 0.068 0.000 1.096 301 T CA -0.141 62.005 62.100 0.077 0.000 1.012 301 T CB -0.508 68.363 68.868 0.005 0.000 0.977 301 T HN -0.016 nan 8.240 nan 0.000 0.527 302 L N 3.128 124.385 121.223 0.058 0.000 2.294 302 L HA 0.537 4.877 4.340 -0.000 0.000 0.283 302 L C -2.488 174.402 176.870 0.033 0.000 1.015 302 L CA -2.323 52.538 54.840 0.036 0.000 0.831 302 L CB 1.989 44.040 42.059 -0.013 0.000 1.217 302 L HN -0.005 nan 8.230 nan 0.000 0.420 303 P HA 0.124 nan 4.420 nan 0.000 0.289 303 P C -1.312 176.076 177.300 0.147 0.000 1.300 303 P CA -0.717 62.438 63.100 0.091 0.000 0.828 303 P CB 1.106 32.858 31.700 0.086 0.000 1.235 304 Y N 1.547 121.852 120.300 0.009 0.000 2.605 304 Y HA 0.295 4.845 4.550 -0.000 0.000 0.336 304 Y C 0.305 176.212 175.900 0.011 0.000 1.111 304 Y CA 0.210 58.310 58.100 0.001 0.000 1.422 304 Y CB -0.726 37.730 38.460 -0.005 0.000 1.193 304 Y HN 0.385 nan 8.280 nan 0.000 0.526 305 T N 2.763 117.288 114.554 -0.048 0.000 2.888 305 T HA 0.387 4.737 4.350 -0.000 0.000 0.288 305 T C 0.976 175.549 174.700 -0.212 0.000 1.063 305 T CA -0.880 61.120 62.100 -0.167 0.000 1.010 305 T CB 0.897 69.741 68.868 -0.040 0.000 1.214 305 T HN 0.593 nan 8.240 nan 0.000 0.533 306 L N 0.549 121.675 121.223 -0.162 0.000 2.191 306 L HA -0.031 4.309 4.340 -0.000 0.000 0.212 306 L C 2.045 178.895 176.870 -0.034 0.000 1.103 306 L CA 1.106 55.879 54.840 -0.111 0.000 0.769 306 L CB -0.415 41.598 42.059 -0.077 0.000 0.908 306 L HN 0.663 nan 8.230 nan 0.000 0.438 307 N N -1.416 117.279 118.700 -0.008 0.000 2.280 307 N HA -0.006 4.734 4.740 -0.000 0.000 0.192 307 N C 1.565 177.114 175.510 0.065 0.000 1.109 307 N CA 0.423 53.487 53.050 0.023 0.000 0.855 307 N CB 0.388 38.883 38.487 0.014 0.000 0.974 307 N HN 0.211 nan 8.380 nan 0.000 0.482 308 T N 2.185 116.794 114.554 0.093 0.000 2.607 308 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 308 T C 1.988 176.797 174.700 0.182 0.000 1.049 308 T CA 0.802 62.998 62.100 0.161 0.000 1.162 308 T CB 0.046 69.025 68.868 0.185 0.000 0.863 308 T HN 0.100 nan 8.240 nan 0.000 0.424 309 I N 1.935 122.575 120.570 0.117 0.000 2.179 309 I HA -0.153 4.017 4.170 -0.000 0.000 0.242 309 I C 2.087 178.263 176.117 0.098 0.000 1.088 309 I CA 1.606 62.950 61.300 0.073 0.000 1.357 309 I CB -1.479 36.561 38.000 0.067 0.000 1.051 309 I HN 0.301 nan 8.210 nan 0.000 0.409 310 D N 0.856 121.304 120.400 0.079 0.000 2.133 310 D HA -0.252 4.388 4.640 -0.000 0.000 0.195 310 D C 1.981 178.311 176.300 0.050 0.000 0.997 310 D CA 1.583 55.616 54.000 0.054 0.000 0.840 310 D CB -0.154 40.668 40.800 0.036 0.000 0.947 310 D HN 0.636 nan 8.370 nan 0.000 0.452 311 E N -0.528 119.713 120.200 0.067 0.000 2.371 311 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 311 E C 1.373 177.954 176.600 -0.031 0.000 1.012 311 E CA 0.673 57.078 56.400 0.008 0.000 0.860 311 E CB -0.140 29.549 29.700 -0.019 0.000 0.811 311 E HN 0.377 nan 8.360 nan 0.000 0.502 312 H N 0.266 119.313 119.070 -0.038 0.000 2.357 312 H HA -0.033 4.523 4.556 -0.000 0.000 0.301 312 H C 1.809 177.097 175.328 -0.067 0.000 1.082 312 H CA 1.483 57.498 56.048 -0.054 0.000 1.342 312 H CB -0.035 29.697 29.762 -0.050 0.000 1.389 312 H HN 0.153 nan 8.280 nan 0.000 0.511 313 L N 0.732 121.981 121.223 0.043 0.000 1.990 313 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 313 L C 1.521 178.361 176.870 -0.051 0.000 1.072 313 L CA 1.999 56.831 54.840 -0.012 0.000 0.755 313 L CB -0.507 41.547 42.059 -0.009 0.000 0.889 313 L HN 0.281 nan 8.230 nan 0.000 0.432 314 D N -1.081 119.285 120.400 -0.056 0.000 2.224 314 D HA -0.194 4.446 4.640 -0.000 0.000 0.205 314 D C 2.159 178.393 176.300 -0.109 0.000 0.965 314 D CA 1.335 55.291 54.000 -0.073 0.000 0.852 314 D CB 0.024 40.786 40.800 -0.063 0.000 0.947 314 D HN 0.474 nan 8.370 nan 0.000 0.494 315 M N 0.492 120.008 119.600 -0.140 0.000 2.099 315 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 315 M C 2.000 178.187 176.300 -0.187 0.000 1.067 315 M CA 0.924 56.106 55.300 -0.195 0.000 1.124 315 M CB 0.034 32.463 32.600 -0.284 0.000 1.353 315 M HN -0.032 nan 8.290 nan 0.000 0.410 316 L N 1.279 122.419 121.223 -0.138 0.000 1.989 316 L HA -0.255 4.085 4.340 -0.000 0.000 0.211 316 L C 2.318 179.141 176.870 -0.080 0.000 1.071 316 L CA 2.032 56.823 54.840 -0.083 0.000 0.749 316 L CB -1.119 40.892 42.059 -0.079 0.000 0.890 316 L HN 0.440 nan 8.230 nan 0.000 0.431 317 M N -1.177 118.367 119.600 -0.093 0.000 2.065 317 M HA -0.202 4.278 4.480 -0.000 0.000 0.259 317 M C 2.269 178.504 176.300 -0.108 0.000 1.069 317 M CA 1.598 56.853 55.300 -0.074 0.000 1.110 317 M CB -1.197 31.368 32.600 -0.059 0.000 1.328 317 M HN 0.134 nan 8.290 nan 0.000 0.405 318 V N 0.637 120.462 119.914 -0.149 0.000 2.343 318 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 318 V C 2.751 178.641 176.094 -0.340 0.000 1.051 318 V CA 1.830 64.013 62.300 -0.195 0.000 1.036 318 V CB -1.394 30.318 31.823 -0.185 0.000 0.654 318 V HN 0.522 nan 8.190 nan 0.000 0.451 319 A N -1.221 121.362 122.820 -0.395 0.000 1.972 319 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 319 A C 1.844 178.918 177.584 -0.850 0.000 1.169 319 A CA 1.520 53.192 52.037 -0.609 0.000 0.635 319 A CB -0.487 18.132 19.000 -0.634 0.000 0.810 319 A HN 0.705 nan 8.150 nan 0.000 0.446 320 H N -1.733 117.133 119.070 -0.340 0.000 2.528 320 H HA 0.139 4.695 4.556 -0.000 0.000 0.282 320 H C -0.423 174.764 175.328 -0.235 0.000 1.097 320 H CA 0.130 56.009 56.048 -0.281 0.000 1.121 320 H CB 0.034 29.771 29.762 -0.041 0.000 1.590 320 H HN 0.659 nan 8.280 nan 0.000 0.553 321 H N -0.328 118.761 119.070 0.032 0.000 2.770 321 H HA -0.158 4.398 4.556 -0.000 0.000 0.309 321 H C 0.036 175.393 175.328 0.049 0.000 1.206 321 H CA 0.378 56.437 56.048 0.018 0.000 1.147 321 H CB -2.367 27.398 29.762 0.005 0.000 1.422 321 H HN 0.341 nan 8.280 nan 0.000 0.420 322 L N 0.628 121.917 121.223 0.111 0.000 2.357 322 L HA 0.304 4.644 4.340 -0.000 0.000 0.273 322 L C 1.022 177.936 176.870 0.072 0.000 1.080 322 L CA -0.326 54.582 54.840 0.115 0.000 0.803 322 L CB 1.061 43.187 42.059 0.111 0.000 1.174 322 L HN 0.015 nan 8.230 nan 0.000 0.443 323 D N 3.563 124.006 120.400 0.072 0.000 2.373 323 D HA 0.191 4.831 4.640 -0.000 0.000 0.227 323 D C -1.625 174.699 176.300 0.040 0.000 1.091 323 D CA -1.972 52.057 54.000 0.048 0.000 0.840 323 D CB 1.856 42.683 40.800 0.045 0.000 1.060 323 D HN 0.228 nan 8.370 nan 0.000 0.502 324 P HA -0.076 nan 4.420 nan 0.000 0.228 324 P C 0.397 177.709 177.300 0.020 0.000 1.151 324 P CA 0.604 63.714 63.100 0.017 0.000 0.770 324 P CB 0.714 32.417 31.700 0.005 0.000 0.786 325 D N -0.267 120.146 120.400 0.021 0.000 2.333 325 D HA 0.104 4.744 4.640 -0.000 0.000 0.208 325 D C 0.984 177.300 176.300 0.025 0.000 0.984 325 D CA 0.289 54.301 54.000 0.020 0.000 0.873 325 D CB 0.196 41.006 40.800 0.016 0.000 0.935 325 D HN 0.281 nan 8.370 nan 0.000 0.521 326 I N 1.585 122.175 120.570 0.033 0.000 2.308 326 I HA 0.101 4.271 4.170 -0.000 0.000 0.293 326 I C 1.597 177.742 176.117 0.047 0.000 1.078 326 I CA -0.536 60.787 61.300 0.039 0.000 1.292 326 I CB 1.646 39.673 38.000 0.045 0.000 1.423 326 I HN -0.163 nan 8.210 nan 0.000 0.493 327 A N 5.395 128.240 122.820 0.041 0.000 1.915 327 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 327 A C 2.034 179.656 177.584 0.063 0.000 1.198 327 A CA 1.921 53.985 52.037 0.045 0.000 0.647 327 A CB -0.374 18.648 19.000 0.037 0.000 0.825 327 A HN 0.749 nan 8.150 nan 0.000 0.456 328 E N 0.015 120.254 120.200 0.064 0.000 2.204 328 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 328 E C 1.521 178.211 176.600 0.150 0.000 0.990 328 E CA 1.269 57.719 56.400 0.083 0.000 0.821 328 E CB -0.248 29.480 29.700 0.046 0.000 0.750 328 E HN 0.622 nan 8.360 nan 0.000 0.477 329 D N -0.800 119.688 120.400 0.147 0.000 2.123 329 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 329 D C 2.004 178.404 176.300 0.166 0.000 0.976 329 D CA 1.340 55.472 54.000 0.221 0.000 0.831 329 D CB -0.070 40.818 40.800 0.147 0.000 0.974 329 D HN 0.244 nan 8.370 nan 0.000 0.469 330 V N -1.176 118.793 119.914 0.091 0.000 2.591 330 V HA 0.078 4.198 4.120 -0.000 0.000 0.249 330 V C 2.186 178.306 176.094 0.043 0.000 1.053 330 V CA 1.337 63.660 62.300 0.039 0.000 1.068 330 V CB -0.824 31.015 31.823 0.028 0.000 0.689 330 V HN 0.088 nan 8.190 nan 0.000 0.462 331 A N 0.926 123.799 122.820 0.089 0.000 1.930 331 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 331 A C 2.058 179.723 177.584 0.135 0.000 1.175 331 A CA 1.827 53.922 52.037 0.097 0.000 0.627 331 A CB -0.826 18.236 19.000 0.103 0.000 0.815 331 A HN 0.846 nan 8.150 nan 0.000 0.443 332 F N 0.521 120.474 119.950 0.006 0.000 2.456 332 F HA 0.274 4.801 4.527 -0.000 0.000 0.298 332 F C 2.054 177.845 175.800 -0.015 0.000 1.104 332 F CA 0.682 58.679 58.000 -0.006 0.000 1.435 332 F CB -0.281 38.712 39.000 -0.012 0.000 1.078 332 F HN 0.194 nan 8.300 nan 0.000 0.546 333 A N 0.751 123.342 122.820 -0.381 0.000 1.898 333 A HA -0.070 4.250 4.320 -0.000 0.000 0.214 333 A C 2.155 179.610 177.584 -0.213 0.000 1.183 333 A CA 1.407 53.177 52.037 -0.446 0.000 0.622 333 A CB -0.740 18.099 19.000 -0.268 0.000 0.824 333 A HN 0.517 nan 8.150 nan 0.000 0.444 334 E N 0.551 120.691 120.200 -0.100 0.000 2.150 334 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 334 E C 2.156 178.729 176.600 -0.045 0.000 0.985 334 E CA 1.307 57.679 56.400 -0.046 0.000 0.814 334 E CB -0.193 29.508 29.700 0.001 0.000 0.752 334 E HN 0.764 nan 8.360 nan 0.000 0.466 335 S N 0.583 116.264 115.700 -0.031 0.000 2.507 335 S HA -0.049 4.420 4.470 -0.000 0.000 0.235 335 S C 1.756 176.285 174.600 -0.118 0.000 0.988 335 S CA 0.482 58.657 58.200 -0.041 0.000 0.944 335 S CB -0.023 63.201 63.200 0.041 0.000 0.762 335 S HN 0.140 nan 8.310 nan 0.000 0.526 336 R N 0.093 120.517 120.500 -0.127 0.000 2.223 336 R HA 0.387 4.727 4.340 -0.000 0.000 0.198 336 R C -0.110 176.101 176.300 -0.148 0.000 0.984 336 R CA 0.339 56.353 56.100 -0.144 0.000 1.018 336 R CB 0.050 30.244 30.300 -0.177 0.000 0.945 336 R HN 0.435 nan 8.270 nan 0.000 0.479 337 I N 1.954 122.444 120.570 -0.132 0.000 2.306 337 I HA 0.220 4.390 4.170 -0.000 0.000 0.288 337 I C -0.515 175.527 176.117 -0.124 0.000 1.036 337 I CA -0.201 61.020 61.300 -0.131 0.000 1.221 337 I CB 1.061 39.012 38.000 -0.081 0.000 1.385 337 I HN -0.131 nan 8.210 nan 0.000 0.472 338 R N 4.938 125.344 120.500 -0.156 0.000 2.502 338 R HA 0.370 4.710 4.340 -0.000 0.000 0.300 338 R C 0.844 177.064 176.300 -0.133 0.000 0.984 338 R CA -0.816 55.214 56.100 -0.116 0.000 0.882 338 R CB 2.222 32.408 30.300 -0.190 0.000 1.180 338 R HN 0.492 nan 8.270 nan 0.000 0.444 339 R N 1.813 122.258 120.500 -0.092 0.000 2.091 339 R HA -0.213 4.127 4.340 -0.000 0.000 0.238 339 R C 0.610 176.764 176.300 -0.243 0.000 1.136 339 R CA 1.952 57.946 56.100 -0.177 0.000 0.959 339 R CB 0.262 30.539 30.300 -0.039 0.000 0.856 339 R HN 0.566 nan 8.270 nan 0.000 0.437 340 E N -0.443 119.701 120.200 -0.093 0.000 2.058 340 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 340 E C 2.017 178.551 176.600 -0.109 0.000 0.997 340 E CA 2.332 58.694 56.400 -0.064 0.000 0.801 340 E CB -0.328 29.404 29.700 0.053 0.000 0.746 340 E HN 0.589 nan 8.360 nan 0.000 0.450 341 T N -1.313 113.176 114.554 -0.109 0.000 2.942 341 T HA 0.028 4.378 4.350 -0.000 0.000 0.265 341 T C 2.015 176.614 174.700 -0.169 0.000 1.062 341 T CA 0.543 62.577 62.100 -0.110 0.000 1.139 341 T CB -0.282 68.538 68.868 -0.079 0.000 0.883 341 T HN 0.033 nan 8.240 nan 0.000 0.468 342 I N 1.757 122.177 120.570 -0.249 0.000 2.252 342 I HA -0.075 4.095 4.170 -0.000 0.000 0.245 342 I C 3.142 179.031 176.117 -0.381 0.000 1.102 342 I CA 1.198 62.312 61.300 -0.310 0.000 1.385 342 I CB -0.476 37.288 38.000 -0.393 0.000 1.064 342 I HN 0.337 nan 8.210 nan 0.000 0.414 343 A N 0.576 123.074 122.820 -0.537 0.000 1.898 343 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 343 A C 2.514 180.011 177.584 -0.145 0.000 1.181 343 A CA 1.565 53.367 52.037 -0.392 0.000 0.620 343 A CB -0.710 18.075 19.000 -0.359 0.000 0.819 343 A HN 0.410 nan 8.150 nan 0.000 0.442 344 A N -0.182 122.550 122.820 -0.147 0.000 1.930 344 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 344 A C 1.985 179.467 177.584 -0.171 0.000 1.175 344 A CA 1.699 53.669 52.037 -0.112 0.000 0.627 344 A CB -0.541 18.405 19.000 -0.090 0.000 0.815 344 A HN 0.687 nan 8.150 nan 0.000 0.443 345 E N 0.060 120.121 120.200 -0.231 0.000 2.097 345 E HA -0.294 4.056 4.350 -0.000 0.000 0.196 345 E C 1.200 177.657 176.600 -0.238 0.000 1.000 345 E CA 1.672 57.835 56.400 -0.395 0.000 0.804 345 E CB -0.200 29.336 29.700 -0.273 0.000 0.740 345 E HN 0.543 nan 8.360 nan 0.000 0.454 346 D N -0.053 120.310 120.400 -0.062 0.000 2.117 346 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 346 D C 2.071 178.411 176.300 0.067 0.000 0.987 346 D CA 1.224 55.258 54.000 0.057 0.000 0.829 346 D CB -0.206 40.646 40.800 0.086 0.000 0.961 346 D HN 0.134 nan 8.370 nan 0.000 0.460 347 V N 0.919 120.839 119.914 0.009 0.000 2.358 347 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 347 V C 2.602 178.688 176.094 -0.013 0.000 1.047 347 V CA 1.000 63.313 62.300 0.022 0.000 1.035 347 V CB -0.475 31.352 31.823 0.006 0.000 0.658 347 V HN 0.200 nan 8.190 nan 0.000 0.452 348 L N -0.802 120.346 121.223 -0.126 0.000 2.191 348 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 348 L C 2.455 179.228 176.870 -0.162 0.000 1.103 348 L CA 1.676 56.410 54.840 -0.178 0.000 0.769 348 L CB -0.695 41.139 42.059 -0.375 0.000 0.908 348 L HN 0.422 nan 8.230 nan 0.000 0.438 349 H N -1.062 117.920 119.070 -0.148 0.000 2.363 349 H HA -0.170 4.386 4.556 -0.000 0.000 0.301 349 H C 1.940 177.179 175.328 -0.149 0.000 1.074 349 H CA 1.547 57.524 56.048 -0.118 0.000 1.354 349 H CB 0.188 29.889 29.762 -0.100 0.000 1.397 349 H HN 0.193 nan 8.280 nan 0.000 0.516 350 D N -0.054 120.428 120.400 0.136 0.000 2.178 350 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 350 D C 1.599 177.971 176.300 0.120 0.000 0.980 350 D CA 0.734 54.853 54.000 0.199 0.000 0.842 350 D CB 0.018 40.962 40.800 0.238 0.000 0.948 350 D HN 0.324 nan 8.370 nan 0.000 0.472 351 L N -1.417 119.849 121.223 0.073 0.000 2.492 351 L HA 0.225 4.565 4.340 -0.000 0.000 0.223 351 L C 1.602 178.512 176.870 0.067 0.000 1.132 351 L CA 0.501 55.384 54.840 0.073 0.000 0.850 351 L CB -0.013 42.075 42.059 0.049 0.000 0.966 351 L HN 0.230 nan 8.230 nan 0.000 0.454 352 G N -0.388 108.430 108.800 0.030 0.000 2.132 352 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.234 352 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.234 352 G C 0.892 175.813 174.900 0.035 0.000 0.989 352 G CA 0.377 45.495 45.100 0.029 0.000 0.676 352 G HN 0.404 nan 8.290 nan 0.000 0.522 353 A N -0.967 121.881 122.820 0.047 0.000 1.975 353 A HA 0.634 4.954 4.320 -0.000 0.000 0.215 353 A C 0.663 178.344 177.584 0.161 0.000 1.170 353 A CA 0.808 52.903 52.037 0.097 0.000 0.656 353 A CB 0.055 19.128 19.000 0.123 0.000 0.821 353 A HN 0.585 nan 8.150 nan 0.000 0.449 354 F N -0.089 119.705 119.950 -0.260 0.000 2.420 354 F HA 0.424 4.951 4.527 -0.000 0.000 0.342 354 F C 1.143 176.792 175.800 -0.251 0.000 1.113 354 F CA -0.919 56.858 58.000 -0.371 0.000 1.059 354 F CB 1.980 40.418 39.000 -0.936 0.000 1.128 354 F HN -0.020 nan 8.300 nan 0.000 0.475 355 S N 2.482 118.169 115.700 -0.022 0.000 2.511 355 S HA 0.343 4.813 4.470 -0.000 0.000 0.214 355 S C -0.200 174.431 174.600 0.052 0.000 0.997 355 S CA 0.040 58.241 58.200 0.001 0.000 0.908 355 S CB 0.273 63.442 63.200 -0.052 0.000 0.803 355 S HN 0.254 nan 8.310 nan 0.000 0.504 356 L N 1.338 122.640 121.223 0.132 0.000 2.376 356 L HA 0.578 4.918 4.340 -0.000 0.000 0.258 356 L C -0.192 176.847 176.870 0.281 0.000 1.013 356 L CA -0.395 54.542 54.840 0.162 0.000 0.822 356 L CB 1.920 44.040 42.059 0.102 0.000 1.388 356 L HN 0.041 nan 8.230 nan 0.000 0.413 357 T N -1.963 112.713 114.554 0.202 0.000 2.887 357 T HA 0.955 5.305 4.350 -0.000 0.000 0.288 357 T C -0.374 174.402 174.700 0.128 0.000 1.021 357 T CA -0.535 61.655 62.100 0.150 0.000 1.000 357 T CB 1.862 70.751 68.868 0.035 0.000 1.034 357 T HN 0.774 nan 8.240 nan 0.000 0.467 358 S N 0.441 116.189 115.700 0.080 0.000 2.688 358 S HA 0.663 5.133 4.470 -0.000 0.000 0.275 358 S C 0.882 175.451 174.600 -0.052 0.000 1.175 358 S CA -0.117 58.104 58.200 0.035 0.000 0.818 358 S CB 1.152 64.393 63.200 0.068 0.000 1.157 358 S HN 1.106 nan 8.310 nan 0.000 0.482 359 S N 0.114 115.752 115.700 -0.103 0.000 2.370 359 S HA 0.249 4.719 4.470 -0.000 0.000 0.214 359 S C 0.341 174.780 174.600 -0.269 0.000 1.033 359 S CA 1.187 59.295 58.200 -0.154 0.000 0.941 359 S CB -0.776 62.346 63.200 -0.130 0.000 0.886 359 S HN 1.302 nan 8.310 nan 0.000 0.521 360 D N 1.477 121.649 120.400 -0.381 0.000 2.865 360 D HA -0.130 4.510 4.640 -0.000 0.000 0.231 360 D C -0.397 175.777 176.300 -0.210 0.000 1.069 360 D CA 0.699 54.377 54.000 -0.537 0.000 0.761 360 D CB -1.949 38.463 40.800 -0.646 0.000 1.081 360 D HN 0.668 nan 8.370 nan 0.000 0.440 361 S N 0.808 116.437 115.700 -0.118 0.000 2.885 361 S HA -0.018 4.452 4.470 -0.000 0.000 0.334 361 S C 1.037 175.555 174.600 -0.138 0.000 1.224 361 S CA 1.080 59.211 58.200 -0.115 0.000 1.080 361 S CB 0.745 63.877 63.200 -0.113 0.000 0.801 361 S HN 0.454 nan 8.310 nan 0.000 0.510 362 Q N 0.197 119.900 119.800 -0.162 0.000 2.450 362 Q HA -0.285 4.055 4.340 -0.000 0.000 0.255 362 Q C 0.370 176.202 176.000 -0.281 0.000 1.003 362 Q CA 1.035 56.732 55.803 -0.178 0.000 1.097 362 Q CB -2.076 26.603 28.738 -0.098 0.000 1.544 362 Q HN 1.239 nan 8.270 nan 0.000 0.531 363 A N 0.058 122.649 122.820 -0.382 0.000 3.106 363 A HA 0.576 4.896 4.320 -0.000 0.000 0.227 363 A C 0.388 177.747 177.584 -0.375 0.000 0.920 363 A CA 0.167 51.895 52.037 -0.514 0.000 1.088 363 A CB 0.482 18.850 19.000 -1.053 0.000 1.233 363 A HN 0.345 nan 8.150 nan 0.000 0.503 364 M N -1.358 118.061 119.600 -0.301 0.000 2.758 364 M HA -0.130 4.350 4.480 -0.000 0.000 0.223 364 M C 0.108 176.279 176.300 -0.214 0.000 0.490 364 M CA 0.829 55.981 55.300 -0.247 0.000 0.713 364 M CB -1.409 31.076 32.600 -0.192 0.000 2.624 364 M HN 1.204 nan 8.290 nan 0.000 0.718 365 G N 0.552 109.224 108.800 -0.213 0.000 2.556 365 G HA2 0.676 4.636 3.960 -0.000 0.000 0.294 365 G HA3 0.676 4.636 3.960 -0.000 0.000 0.294 365 G C -1.448 173.355 174.900 -0.162 0.000 1.516 365 G CA -1.134 43.856 45.100 -0.183 0.000 0.824 365 G HN 0.244 nan 8.290 nan 0.000 0.535 366 R N 1.568 121.985 120.500 -0.138 0.000 2.275 366 R HA 0.389 4.729 4.340 -0.000 0.000 0.326 366 R C 1.009 177.241 176.300 -0.114 0.000 0.973 366 R CA -0.726 55.299 56.100 -0.125 0.000 0.854 366 R CB 2.036 32.263 30.300 -0.123 0.000 1.156 366 R HN 0.318 nan 8.270 nan 0.000 0.487 367 V N 2.835 122.686 119.914 -0.105 0.000 2.453 367 V HA -0.166 3.954 4.120 -0.000 0.000 0.252 367 V C 1.501 177.549 176.094 -0.077 0.000 1.068 367 V CA 2.566 64.810 62.300 -0.092 0.000 1.070 367 V CB -0.081 31.693 31.823 -0.081 0.000 0.664 367 V HN 1.002 nan 8.190 nan 0.000 0.461 368 G N -1.413 107.340 108.800 -0.078 0.000 3.189 368 G HA2 0.105 4.065 3.960 -0.000 0.000 0.225 368 G HA3 0.105 4.065 3.960 -0.000 0.000 0.225 368 G C 0.775 175.632 174.900 -0.072 0.000 1.159 368 G CA 0.103 45.163 45.100 -0.066 0.000 0.763 368 G HN 0.615 nan 8.290 nan 0.000 0.549 369 E N 0.114 120.258 120.200 -0.093 0.000 2.734 369 E HA 0.157 4.507 4.350 -0.000 0.000 0.211 369 E C 1.431 177.962 176.600 -0.115 0.000 0.991 369 E CA -0.241 56.100 56.400 -0.098 0.000 1.065 369 E CB 1.115 30.748 29.700 -0.111 0.000 1.047 369 E HN 0.187 nan 8.360 nan 0.000 0.470 370 V N 0.808 120.643 119.914 -0.132 0.000 2.307 370 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 370 V C 2.155 178.069 176.094 -0.301 0.000 1.045 370 V CA 1.562 63.761 62.300 -0.169 0.000 1.024 370 V CB -0.260 31.480 31.823 -0.138 0.000 0.651 370 V HN 0.353 nan 8.190 nan 0.000 0.449 371 I N -0.319 120.013 120.570 -0.396 0.000 2.163 371 I HA -0.242 3.928 4.170 -0.000 0.000 0.240 371 I C 2.464 178.422 176.117 -0.264 0.000 1.081 371 I CA 1.630 62.558 61.300 -0.619 0.000 1.353 371 I CB -0.389 37.324 38.000 -0.478 0.000 1.054 371 I HN 0.285 nan 8.210 nan 0.000 0.407 372 L N 1.034 122.187 121.223 -0.116 0.000 1.990 372 L HA -0.282 4.058 4.340 -0.000 0.000 0.213 372 L C 2.831 179.690 176.870 -0.018 0.000 1.072 372 L CA 1.806 56.635 54.840 -0.018 0.000 0.755 372 L CB -0.294 41.763 42.059 -0.003 0.000 0.889 372 L HN 0.144 nan 8.230 nan 0.000 0.432 373 R N -1.111 119.344 120.500 -0.075 0.000 2.115 373 R HA -0.102 4.238 4.340 -0.000 0.000 0.230 373 R C 2.116 178.360 176.300 -0.093 0.000 1.111 373 R CA 1.666 57.728 56.100 -0.063 0.000 0.976 373 R CB -0.473 29.787 30.300 -0.067 0.000 0.870 373 R HN 0.442 nan 8.270 nan 0.000 0.445 374 T N -0.180 114.258 114.554 -0.193 0.000 2.746 374 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 374 T C 1.222 175.738 174.700 -0.307 0.000 1.039 374 T CA 1.291 63.234 62.100 -0.261 0.000 1.142 374 T CB -0.194 68.462 68.868 -0.354 0.000 0.866 374 T HN 0.446 nan 8.240 nan 0.000 0.444 375 W N 1.487 122.784 121.300 -0.005 0.000 2.467 375 W HA 0.025 4.685 4.660 -0.000 0.000 0.275 375 W C 2.616 179.098 176.519 -0.063 0.000 1.239 375 W CA 0.015 57.334 57.345 -0.044 0.000 1.266 375 W CB -0.214 29.229 29.460 -0.028 0.000 1.112 375 W HN 0.299 nan 8.180 nan 0.000 0.576 376 Q N -0.021 119.853 119.800 0.122 0.000 2.119 376 Q HA -0.165 4.175 4.340 -0.000 0.000 0.201 376 Q C 2.120 178.173 176.000 0.089 0.000 0.972 376 Q CA 1.568 57.423 55.803 0.087 0.000 0.847 376 Q CB -0.426 28.338 28.738 0.042 0.000 0.903 376 Q HN 0.193 nan 8.270 nan 0.000 0.433 377 V N 0.838 120.768 119.914 0.028 0.000 2.307 377 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 377 V C 2.281 178.344 176.094 -0.052 0.000 1.045 377 V CA 1.779 64.102 62.300 0.038 0.000 1.024 377 V CB -1.007 30.863 31.823 0.080 0.000 0.651 377 V HN 0.388 nan 8.190 nan 0.000 0.449 378 A N -0.137 122.476 122.820 -0.345 0.000 1.908 378 A HA -0.340 3.980 4.320 -0.000 0.000 0.218 378 A C 2.115 179.608 177.584 -0.152 0.000 1.181 378 A CA 2.573 54.220 52.037 -0.651 0.000 0.627 378 A CB -0.924 17.579 19.000 -0.828 0.000 0.818 378 A HN 0.806 nan 8.150 nan 0.000 0.445 379 H N -0.771 118.253 119.070 -0.078 0.000 2.293 379 H HA -0.074 4.482 4.556 -0.000 0.000 0.300 379 H C 2.238 177.565 175.328 -0.001 0.000 1.082 379 H CA 1.907 57.946 56.048 -0.014 0.000 1.308 379 H CB -0.017 29.753 29.762 0.013 0.000 1.375 379 H HN 0.229 nan 8.280 nan 0.000 0.495 380 R N -0.214 120.323 120.500 0.062 0.000 2.120 380 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 380 R C 2.167 178.453 176.300 -0.024 0.000 1.123 380 R CA 1.147 57.258 56.100 0.019 0.000 0.975 380 R CB -0.281 30.082 30.300 0.105 0.000 0.866 380 R HN 0.484 nan 8.270 nan 0.000 0.446 381 M N 0.240 119.838 119.600 -0.002 0.000 2.236 381 M HA -0.073 4.407 4.480 -0.000 0.000 0.266 381 M C 2.110 178.411 176.300 0.000 0.000 1.070 381 M CA 1.191 56.509 55.300 0.031 0.000 1.137 381 M CB -0.643 32.019 32.600 0.103 0.000 1.378 381 M HN 0.040 nan 8.290 nan 0.000 0.426 382 K N 0.428 120.800 120.400 -0.046 0.000 2.057 382 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 382 K C 1.834 178.394 176.600 -0.068 0.000 1.050 382 K CA 1.219 57.483 56.287 -0.039 0.000 0.935 382 K CB 0.029 32.500 32.500 -0.048 0.000 0.715 382 K HN 0.066 nan 8.250 nan 0.000 0.439 383 V N 1.597 121.419 119.914 -0.152 0.000 2.332 383 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 383 V C 2.295 178.354 176.094 -0.057 0.000 1.055 383 V CA 1.978 64.195 62.300 -0.138 0.000 1.038 383 V CB -0.399 31.285 31.823 -0.233 0.000 0.651 383 V HN 0.452 nan 8.190 nan 0.000 0.450 384 Q N -0.847 118.933 119.800 -0.034 0.000 2.165 384 Q HA 0.035 4.375 4.340 -0.000 0.000 0.197 384 Q C 2.237 178.243 176.000 0.011 0.000 0.952 384 Q CA 0.802 56.604 55.803 -0.002 0.000 0.848 384 Q CB 0.057 28.805 28.738 0.016 0.000 0.931 384 Q HN 0.565 nan 8.270 nan 0.000 0.470 385 R N -0.190 120.321 120.500 0.019 0.000 2.308 385 R HA 0.250 4.590 4.340 -0.000 0.000 0.202 385 R C 0.749 177.067 176.300 0.029 0.000 0.898 385 R CA 0.503 56.621 56.100 0.030 0.000 1.046 385 R CB 0.984 31.313 30.300 0.049 0.000 1.026 385 R HN 0.214 nan 8.270 nan 0.000 0.512 386 G N 1.507 110.320 108.800 0.021 0.000 2.593 386 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.237 386 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.237 386 G C -0.323 174.602 174.900 0.043 0.000 1.312 386 G CA -0.392 44.722 45.100 0.023 0.000 0.896 386 G HN 0.433 nan 8.290 nan 0.000 0.574 387 A N -0.511 122.335 122.820 0.044 0.000 2.407 387 A HA 0.634 4.953 4.320 -0.000 0.000 0.248 387 A C 0.891 178.521 177.584 0.076 0.000 1.082 387 A CA 0.174 52.249 52.037 0.062 0.000 0.785 387 A CB 0.118 19.147 19.000 0.047 0.000 1.020 387 A HN 1.201 nan 8.150 nan 0.000 0.489 388 L N 1.331 122.623 121.223 0.114 0.000 2.453 388 L HA 0.263 4.603 4.340 -0.000 0.000 0.261 388 L C 1.818 178.722 176.870 0.058 0.000 1.179 388 L CA -0.005 54.910 54.840 0.125 0.000 0.813 388 L CB 0.761 42.966 42.059 0.243 0.000 1.110 388 L HN 0.893 nan 8.230 nan 0.000 0.466 389 A N 1.197 124.033 122.820 0.026 0.000 2.070 389 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 389 A C 1.810 179.340 177.584 -0.090 0.000 1.159 389 A CA 1.379 53.403 52.037 -0.022 0.000 0.656 389 A CB -0.377 18.611 19.000 -0.019 0.000 0.800 389 A HN 0.871 nan 8.150 nan 0.000 0.453 390 E N 0.510 120.603 120.200 -0.178 0.000 2.435 390 E HA 0.033 4.383 4.350 -0.000 0.000 0.195 390 E C 0.218 176.638 176.600 -0.299 0.000 1.029 390 E CA 0.021 56.163 56.400 -0.430 0.000 0.865 390 E CB 0.093 29.083 29.700 -1.183 0.000 0.833 390 E HN 0.468 nan 8.360 nan 0.000 0.510 391 E N 0.727 120.883 120.200 -0.074 0.000 2.413 391 E HA 0.066 4.416 4.350 -0.000 0.000 0.263 391 E C -0.255 176.342 176.600 -0.004 0.000 1.015 391 E CA 0.499 56.916 56.400 0.029 0.000 0.916 391 E CB 1.189 30.936 29.700 0.080 0.000 0.947 391 E HN -0.103 nan 8.360 nan 0.000 0.440 392 T N 0.763 115.330 114.554 0.021 0.000 2.886 392 T HA 0.581 4.931 4.350 -0.000 0.000 0.292 392 T C -0.266 174.449 174.700 0.025 0.000 1.012 392 T CA 0.439 62.545 62.100 0.011 0.000 0.982 392 T CB 1.113 69.986 68.868 0.007 0.000 1.018 392 T HN 0.713 nan 8.240 nan 0.000 0.451 393 G N 3.391 112.199 108.800 0.013 0.000 2.828 393 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.463 393 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.463 393 G C -0.527 174.377 174.900 0.006 0.000 1.394 393 G CA -0.189 44.917 45.100 0.010 0.000 0.862 393 G HN 0.832 nan 8.290 nan 0.000 0.540 394 D N 1.413 121.808 120.400 -0.009 0.000 2.767 394 D HA 0.420 5.060 4.640 -0.000 0.000 0.241 394 D C 0.774 177.060 176.300 -0.023 0.000 1.187 394 D CA 0.356 54.339 54.000 -0.027 0.000 0.999 394 D CB -0.503 40.262 40.800 -0.059 0.000 1.042 394 D HN 0.705 nan 8.370 nan 0.000 0.510 395 N N -0.564 118.148 118.700 0.020 0.000 3.106 395 N HA 0.177 4.917 4.740 -0.000 0.000 0.253 395 N C -0.948 174.613 175.510 0.085 0.000 1.506 395 N CA -0.724 52.361 53.050 0.058 0.000 0.876 395 N CB 1.134 39.658 38.487 0.063 0.000 1.452 395 N HN -0.155 nan 8.380 nan 0.000 0.542 396 D N -0.295 120.169 120.400 0.107 0.000 2.559 396 D HA 0.124 4.764 4.640 -0.000 0.000 0.234 396 D C 0.237 176.595 176.300 0.096 0.000 1.226 396 D CA -0.233 53.832 54.000 0.108 0.000 0.830 396 D CB 0.005 40.869 40.800 0.107 0.000 1.028 396 D HN 0.356 nan 8.370 nan 0.000 0.492 397 N N 0.856 119.608 118.700 0.087 0.000 2.060 397 N HA -0.199 4.540 4.740 -0.000 0.000 0.195 397 N C 1.409 176.962 175.510 0.071 0.000 1.028 397 N CA 0.863 53.951 53.050 0.064 0.000 0.861 397 N CB -0.453 38.074 38.487 0.066 0.000 1.029 397 N HN 0.278 nan 8.380 nan 0.000 0.428 398 F N 1.525 121.483 119.950 0.013 0.000 2.146 398 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 398 F C 2.561 178.383 175.800 0.035 0.000 1.096 398 F CA 1.200 59.187 58.000 -0.021 0.000 1.275 398 F CB -0.075 38.906 39.000 -0.031 0.000 1.008 398 F HN -0.070 nan 8.300 nan 0.000 0.480 399 R N 0.001 120.535 120.500 0.057 0.000 2.105 399 R HA -0.142 4.198 4.340 -0.000 0.000 0.239 399 R C 1.996 178.393 176.300 0.162 0.000 1.135 399 R CA 1.821 57.990 56.100 0.115 0.000 0.967 399 R CB -0.574 29.839 30.300 0.188 0.000 0.861 399 R HN 0.298 nan 8.270 nan 0.000 0.442 400 V N 1.284 121.280 119.914 0.137 0.000 2.343 400 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 400 V C 2.134 178.362 176.094 0.223 0.000 1.051 400 V CA 1.995 64.466 62.300 0.286 0.000 1.036 400 V CB -0.370 31.513 31.823 0.100 0.000 0.654 400 V HN 0.378 nan 8.190 nan 0.000 0.451 401 K N -0.116 120.263 120.400 -0.035 0.000 2.097 401 K HA -0.185 4.135 4.320 -0.000 0.000 0.205 401 K C 2.354 178.912 176.600 -0.070 0.000 1.050 401 K CA 1.493 57.735 56.287 -0.076 0.000 0.938 401 K CB -0.250 32.107 32.500 -0.238 0.000 0.718 401 K HN 0.352 nan 8.250 nan 0.000 0.442 402 R N 0.140 120.440 120.500 -0.334 0.000 2.081 402 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 402 R C 1.700 177.932 176.300 -0.114 0.000 1.131 402 R CA 1.537 57.495 56.100 -0.237 0.000 0.960 402 R CB -0.209 29.867 30.300 -0.373 0.000 0.856 402 R HN 0.190 nan 8.270 nan 0.000 0.436 403 Y N 0.175 120.399 120.300 -0.127 0.000 2.286 403 Y HA -0.028 4.522 4.550 -0.000 0.000 0.293 403 Y C 2.108 177.808 175.900 -0.334 0.000 1.124 403 Y CA 1.062 59.017 58.100 -0.242 0.000 1.178 403 Y CB -0.061 38.148 38.460 -0.417 0.000 1.010 403 Y HN 0.078 nan 8.280 nan 0.000 0.536 404 I N -0.463 120.086 120.570 -0.035 0.000 2.493 404 I HA -0.261 3.909 4.170 -0.000 0.000 0.254 404 I C 2.287 178.191 176.117 -0.355 0.000 1.160 404 I CA 1.110 62.295 61.300 -0.193 0.000 1.445 404 I CB -0.110 38.000 38.000 0.183 0.000 1.086 404 I HN 0.192 nan 8.210 nan 0.000 0.433 405 A N 0.583 123.330 122.820 -0.121 0.000 2.019 405 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 405 A C 2.190 179.696 177.584 -0.130 0.000 1.164 405 A CA 1.451 53.432 52.037 -0.093 0.000 0.644 405 A CB -0.433 18.551 19.000 -0.026 0.000 0.805 405 A HN 0.422 nan 8.150 nan 0.000 0.449 406 K N -1.311 119.009 120.400 -0.134 0.000 2.147 406 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 406 K C 1.121 177.755 176.600 0.056 0.000 1.049 406 K CA 1.722 57.992 56.287 -0.030 0.000 0.936 406 K CB -0.258 32.238 32.500 -0.005 0.000 0.722 406 K HN 0.917 nan 8.250 nan 0.000 0.446 407 Y N -1.480 118.824 120.300 0.008 0.000 2.612 407 Y HA 0.283 4.833 4.550 -0.000 0.000 0.250 407 Y C 1.111 177.058 175.900 0.078 0.000 1.175 407 Y CA -0.223 57.898 58.100 0.036 0.000 1.205 407 Y CB -0.215 38.253 38.460 0.013 0.000 1.201 407 Y HN -0.059 nan 8.280 nan 0.000 0.532 408 T N -2.769 111.730 114.554 -0.091 0.000 3.257 408 T HA 0.126 4.476 4.350 -0.000 0.000 0.176 408 T C 1.293 176.012 174.700 0.031 0.000 0.892 408 T CA 0.609 62.708 62.100 -0.001 0.000 1.147 408 T CB -0.765 68.077 68.868 -0.044 0.000 1.840 408 T HN 0.093 nan 8.240 nan 0.000 0.375 409 I N 2.996 123.572 120.570 0.009 0.000 2.315 409 I HA -0.009 4.161 4.170 -0.000 0.000 0.248 409 I C 1.877 177.962 176.117 -0.053 0.000 1.117 409 I CA 1.319 62.609 61.300 -0.016 0.000 1.404 409 I CB -0.754 37.185 38.000 -0.102 0.000 1.071 409 I HN 0.262 nan 8.210 nan 0.000 0.419 410 N N 0.756 119.414 118.700 -0.069 0.000 2.120 410 N HA -0.088 4.652 4.740 -0.000 0.000 0.188 410 N C -0.775 174.709 175.510 -0.043 0.000 1.024 410 N CA 1.615 54.622 53.050 -0.072 0.000 0.852 410 N CB -1.824 36.618 38.487 -0.075 0.000 1.003 410 N HN 0.316 nan 8.380 nan 0.000 0.424 411 P HA 0.005 nan 4.420 nan 0.000 0.218 411 P C 1.038 178.379 177.300 0.069 0.000 1.149 411 P CA 1.270 64.407 63.100 0.061 0.000 0.817 411 P CB 0.009 31.772 31.700 0.105 0.000 0.785 412 A N -0.650 122.190 122.820 0.034 0.000 1.898 412 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 412 A C 2.171 179.757 177.584 0.003 0.000 1.181 412 A CA 1.365 53.411 52.037 0.016 0.000 0.620 412 A CB -1.607 17.407 19.000 0.023 0.000 0.819 412 A HN 0.103 nan 8.150 nan 0.000 0.442 413 L N -0.823 120.388 121.223 -0.020 0.000 2.056 413 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 413 L C 2.786 179.613 176.870 -0.073 0.000 1.078 413 L CA 1.726 56.542 54.840 -0.040 0.000 0.749 413 L CB -0.856 41.164 42.059 -0.066 0.000 0.901 413 L HN 0.337 nan 8.230 nan 0.000 0.433 414 T N -2.046 112.445 114.554 -0.106 0.000 2.759 414 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 414 T C 1.474 175.984 174.700 -0.316 0.000 1.042 414 T CA 1.194 63.160 62.100 -0.222 0.000 1.140 414 T CB -0.245 68.439 68.868 -0.307 0.000 0.864 414 T HN 0.361 nan 8.240 nan 0.000 0.455 415 H N -0.295 118.738 119.070 -0.061 0.000 2.520 415 H HA 0.344 4.900 4.556 -0.000 0.000 0.284 415 H C 1.635 176.922 175.328 -0.068 0.000 1.037 415 H CA 0.360 56.379 56.048 -0.050 0.000 1.168 415 H CB 0.111 29.849 29.762 -0.038 0.000 1.497 415 H HN 0.501 nan 8.280 nan 0.000 0.547 416 G N 2.326 111.126 108.800 -0.001 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 0.839 175.794 174.900 0.091 0.000 1.041 416 G CA 0.699 45.819 45.100 0.033 0.000 0.807 416 G HN 0.630 nan 8.290 nan 0.000 0.502 417 I N -4.158 116.411 120.570 -0.001 0.000 4.225 417 I HA 0.666 4.836 4.170 -0.000 0.000 0.327 417 I C 1.804 177.866 176.117 -0.093 0.000 1.422 417 I CA 0.374 61.582 61.300 -0.153 0.000 1.150 417 I CB 0.301 37.946 38.000 -0.592 0.000 1.192 417 I HN 0.123 nan 8.210 nan 0.000 0.440 418 A N 1.856 124.708 122.820 0.053 0.000 2.178 418 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 418 A C 2.010 179.653 177.584 0.098 0.000 1.157 418 A CA 1.854 53.928 52.037 0.062 0.000 0.689 418 A CB -1.290 17.745 19.000 0.060 0.000 0.787 418 A HN 0.856 nan 8.150 nan 0.000 0.465 419 H N -2.851 116.251 119.070 0.053 0.000 2.529 419 H HA 0.198 4.754 4.556 -0.000 0.000 0.277 419 H C 1.497 176.882 175.328 0.095 0.000 0.999 419 H CA 0.948 57.035 56.048 0.064 0.000 1.256 419 H CB 0.185 29.981 29.762 0.056 0.000 1.402 419 H HN 0.387 nan 8.280 nan 0.000 0.566 420 E N 1.029 121.052 120.200 -0.295 0.000 2.256 420 E HA 0.130 4.480 4.350 -0.000 0.000 0.198 420 E C 0.878 177.496 176.600 0.030 0.000 0.908 420 E CA 0.931 57.260 56.400 -0.118 0.000 0.915 420 E CB 1.012 30.657 29.700 -0.091 0.000 0.890 420 E HN 0.394 nan 8.360 nan 0.000 0.484 421 V N -4.744 115.201 119.914 0.052 0.000 3.105 421 V HA 0.855 4.975 4.120 -0.000 0.000 0.311 421 V C 0.802 176.957 176.094 0.102 0.000 1.287 421 V CA -0.168 62.196 62.300 0.107 0.000 1.066 421 V CB 1.247 33.167 31.823 0.161 0.000 1.105 421 V HN 0.307 nan 8.190 nan 0.000 0.462 422 G N -0.075 108.802 108.800 0.129 0.000 2.253 422 G HA2 0.104 4.064 3.960 -0.000 0.000 0.209 422 G HA3 0.104 4.064 3.960 -0.000 0.000 0.209 422 G C 0.255 175.261 174.900 0.176 0.000 0.997 422 G CA 0.604 45.782 45.100 0.130 0.000 0.640 422 G HN 2.466 nan 8.290 nan 0.000 0.496 423 S N -1.157 114.667 115.700 0.206 0.000 2.615 423 S HA 0.647 5.117 4.470 -0.000 0.000 0.268 423 S C -0.767 173.990 174.600 0.261 0.000 1.146 423 S CA -0.698 57.667 58.200 0.275 0.000 0.818 423 S CB 1.170 64.614 63.200 0.406 0.000 1.111 423 S HN 0.777 nan 8.310 nan 0.000 0.465 424 I N 1.595 122.362 120.570 0.329 0.000 2.241 424 I HA 0.384 4.554 4.170 -0.000 0.000 0.294 424 I C -0.070 176.225 176.117 0.298 0.000 1.145 424 I CA 0.199 61.687 61.300 0.314 0.000 1.261 424 I CB -0.219 37.991 38.000 0.350 0.000 1.475 424 I HN 0.568 nan 8.210 nan 0.000 0.533 425 E N 3.972 124.265 120.200 0.155 0.000 2.340 425 E HA 0.350 4.700 4.350 -0.000 0.000 0.273 425 E C -0.710 175.900 176.600 0.017 0.000 0.891 425 E CA -1.041 55.372 56.400 0.022 0.000 0.757 425 E CB 3.188 32.896 29.700 0.013 0.000 1.231 425 E HN 0.292 nan 8.360 nan 0.000 0.439 426 V N 0.020 119.908 119.914 -0.045 0.000 2.694 426 V HA 0.395 4.515 4.120 -0.000 0.000 0.306 426 V C 1.026 177.115 176.094 -0.007 0.000 1.054 426 V CA 1.077 63.352 62.300 -0.041 0.000 1.161 426 V CB 0.130 31.881 31.823 -0.119 0.000 0.916 426 V HN 1.028 nan 8.190 nan 0.000 0.490 427 G N 2.953 111.766 108.800 0.021 0.000 2.217 427 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.246 427 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.246 427 G C 0.309 175.245 174.900 0.061 0.000 0.990 427 G CA 0.373 45.498 45.100 0.041 0.000 0.627 427 G HN 0.892 nan 8.290 nan 0.000 0.522 428 K N 0.015 120.456 120.400 0.068 0.000 2.098 428 K HA 0.587 4.907 4.320 -0.000 0.000 0.257 428 K C 0.256 176.906 176.600 0.083 0.000 0.999 428 K CA -0.963 55.371 56.287 0.078 0.000 0.924 428 K CB 1.552 34.108 32.500 0.094 0.000 1.028 428 K HN 0.130 nan 8.250 nan 0.000 0.466 429 L N 1.801 123.071 121.223 0.078 0.000 2.525 429 L HA -0.033 4.307 4.340 -0.000 0.000 0.278 429 L C 0.013 176.938 176.870 0.092 0.000 1.218 429 L CA 0.764 55.649 54.840 0.076 0.000 0.878 429 L CB 0.409 42.508 42.059 0.066 0.000 1.127 429 L HN 0.757 nan 8.230 nan 0.000 0.492 430 A N 3.897 126.770 122.820 0.089 0.000 3.048 430 A HA 0.173 4.493 4.320 -0.000 0.000 0.264 430 A C -0.349 177.289 177.584 0.091 0.000 1.796 430 A CA -0.396 51.698 52.037 0.096 0.000 1.445 430 A CB -1.181 17.874 19.000 0.091 0.000 1.074 430 A HN 0.690 nan 8.150 nan 0.000 0.621 431 D N 1.380 121.841 120.400 0.102 0.000 2.428 431 D HA 0.527 5.167 4.640 -0.000 0.000 0.221 431 D C -0.306 176.061 176.300 0.111 0.000 1.123 431 D CA 0.465 54.526 54.000 0.100 0.000 0.869 431 D CB 0.877 41.746 40.800 0.114 0.000 1.032 431 D HN 0.397 nan 8.370 nan 0.000 0.506 432 L N 1.149 122.425 121.223 0.089 0.000 2.354 432 L HA 0.652 4.992 4.340 -0.000 0.000 0.264 432 L C -0.555 176.337 176.870 0.036 0.000 1.008 432 L CA -1.206 53.690 54.840 0.094 0.000 0.819 432 L CB 2.405 44.521 42.059 0.095 0.000 1.339 432 L HN -0.091 nan 8.230 nan 0.000 0.420 433 V N 2.147 122.078 119.914 0.028 0.000 2.531 433 V HA 0.433 4.553 4.120 -0.000 0.000 0.301 433 V C -0.302 175.651 176.094 -0.235 0.000 1.034 433 V CA -0.685 61.502 62.300 -0.188 0.000 0.865 433 V CB 2.159 33.819 31.823 -0.272 0.000 0.995 433 V HN 0.412 nan 8.190 nan 0.000 0.424 434 V N 3.991 123.723 119.914 -0.303 0.000 2.427 434 V HA 0.537 4.657 4.120 -0.000 0.000 0.286 434 V C -0.848 175.113 176.094 -0.223 0.000 1.034 434 V CA -0.465 61.761 62.300 -0.123 0.000 0.893 434 V CB 1.391 33.194 31.823 -0.033 0.000 0.982 434 V HN 0.916 nan 8.190 nan 0.000 0.452 435 W N 1.794 123.172 121.300 0.130 0.000 2.844 435 W HA 0.639 5.299 4.660 -0.000 0.000 0.340 435 W C 0.171 176.785 176.519 0.159 0.000 1.093 435 W CA -0.673 56.761 57.345 0.149 0.000 1.212 435 W CB 1.765 31.355 29.460 0.218 0.000 1.422 435 W HN 0.449 nan 8.180 nan 0.000 0.515 436 S N 2.161 118.120 115.700 0.431 0.000 2.499 436 S HA 0.317 4.787 4.470 -0.000 0.000 0.279 436 S C -1.530 173.275 174.600 0.343 0.000 1.219 436 S CA -1.328 57.070 58.200 0.330 0.000 1.062 436 S CB 1.095 64.502 63.200 0.345 0.000 0.978 436 S HN 0.211 nan 8.310 nan 0.000 0.489 437 P HA -0.124 nan 4.420 nan 0.000 0.217 437 P C 1.157 178.474 177.300 0.027 0.000 1.151 437 P CA 1.649 64.791 63.100 0.070 0.000 0.849 437 P CB 0.042 31.734 31.700 -0.013 0.000 0.787 438 A N -2.303 120.541 122.820 0.041 0.000 2.067 438 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 438 A C 1.306 178.699 177.584 -0.318 0.000 1.158 438 A CA 1.190 53.133 52.037 -0.156 0.000 0.661 438 A CB -1.280 17.588 19.000 -0.220 0.000 0.801 438 A HN 0.192 nan 8.150 nan 0.000 0.452 439 F N -2.395 117.637 119.950 0.136 0.000 2.683 439 F HA 0.325 4.852 4.527 -0.000 0.000 0.306 439 F C 0.282 176.083 175.800 0.002 0.000 1.102 439 F CA -1.162 56.877 58.000 0.065 0.000 1.244 439 F CB 0.061 39.151 39.000 0.149 0.000 1.029 439 F HN 0.151 nan 8.300 nan 0.000 0.545 440 F N 1.570 121.471 119.950 -0.082 0.000 2.623 440 F HA 0.333 4.860 4.527 -0.000 0.000 0.383 440 F C 1.377 176.775 175.800 -0.670 0.000 1.077 440 F CA 1.068 58.806 58.000 -0.437 0.000 1.268 440 F CB 0.459 39.127 39.000 -0.554 0.000 1.053 440 F HN 0.326 nan 8.300 nan 0.000 0.571 441 G N 3.354 110.900 108.800 -2.090 0.000 2.189 441 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.267 441 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.267 441 G C 0.524 175.183 174.900 -0.400 0.000 0.975 441 G CA 0.514 44.824 45.100 -1.317 0.000 0.644 441 G HN 0.782 nan 8.290 nan 0.000 0.537 442 V N -0.844 118.963 119.914 -0.179 0.000 2.840 442 V HA 0.380 4.500 4.120 -0.000 0.000 0.234 442 V C 0.979 177.185 176.094 0.186 0.000 1.159 442 V CA 1.739 64.021 62.300 -0.029 0.000 1.194 442 V CB 0.384 31.956 31.823 -0.419 0.000 0.971 442 V HN 0.265 nan 8.190 nan 0.000 0.494 443 K N 1.200 121.780 120.400 0.301 0.000 2.640 443 K HA 0.447 4.767 4.320 -0.000 0.000 0.245 443 K C -2.925 173.861 176.600 0.310 0.000 0.962 443 K CA -1.617 54.838 56.287 0.280 0.000 0.896 443 K CB 2.542 35.166 32.500 0.206 0.000 1.147 443 K HN 0.156 nan 8.250 nan 0.000 0.445 444 P HA 0.045 nan 4.420 nan 0.000 0.272 444 P C -0.051 177.219 177.300 -0.050 0.000 1.223 444 P CA -0.100 62.825 63.100 -0.292 0.000 0.784 444 P CB 1.039 32.346 31.700 -0.655 0.000 0.923 445 A N 1.368 124.116 122.820 -0.120 0.000 1.984 445 A HA 0.179 4.499 4.320 -0.000 0.000 0.214 445 A C 0.432 177.960 177.584 -0.094 0.000 1.173 445 A CA 1.375 53.361 52.037 -0.084 0.000 0.673 445 A CB -0.319 18.662 19.000 -0.032 0.000 0.830 445 A HN 0.557 nan 8.150 nan 0.000 0.453 446 T N -0.781 113.695 114.554 -0.130 0.000 3.097 446 T HA 0.484 4.834 4.350 -0.000 0.000 0.332 446 T C -1.377 173.241 174.700 -0.135 0.000 1.269 446 T CA -0.407 61.637 62.100 -0.094 0.000 1.076 446 T CB 1.901 70.732 68.868 -0.061 0.000 1.209 446 T HN 0.022 nan 8.240 nan 0.000 0.474 447 V N 3.904 123.770 119.914 -0.080 0.000 2.378 447 V HA 0.519 4.639 4.120 -0.000 0.000 0.288 447 V C -0.352 175.729 176.094 -0.023 0.000 1.016 447 V CA -0.730 61.523 62.300 -0.079 0.000 0.840 447 V CB 1.179 32.960 31.823 -0.070 0.000 0.994 447 V HN 0.782 nan 8.190 nan 0.000 0.431 448 I N 5.047 125.612 120.570 -0.008 0.000 2.336 448 I HA 0.463 4.633 4.170 -0.000 0.000 0.292 448 I C 0.168 176.308 176.117 0.040 0.000 0.991 448 I CA -0.430 60.883 61.300 0.021 0.000 1.227 448 I CB 1.265 39.282 38.000 0.029 0.000 1.366 448 I HN 0.383 nan 8.210 nan 0.000 0.466 449 K N 4.457 124.884 120.400 0.045 0.000 2.394 449 K HA 0.341 4.661 4.320 -0.000 0.000 0.260 449 K C 0.456 177.092 176.600 0.061 0.000 0.967 449 K CA -0.334 55.986 56.287 0.055 0.000 0.855 449 K CB 1.822 34.352 32.500 0.050 0.000 1.101 449 K HN 0.912 nan 8.250 nan 0.000 0.433 450 G N 2.020 110.858 108.800 0.064 0.000 2.321 450 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.287 450 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.287 450 G C 0.733 175.680 174.900 0.079 0.000 1.018 450 G CA 1.013 46.154 45.100 0.069 0.000 0.855 450 G HN 1.076 nan 8.290 nan 0.000 0.507 451 G N -2.151 106.690 108.800 0.068 0.000 2.175 451 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.244 451 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.244 451 G C 0.250 175.177 174.900 0.045 0.000 0.982 451 G CA 0.806 45.941 45.100 0.059 0.000 0.641 451 G HN 1.058 nan 8.290 nan 0.000 0.527 452 M N 0.432 120.063 119.600 0.051 0.000 2.465 452 M HA 0.542 5.022 4.480 -0.000 0.000 0.316 452 M C 0.189 176.518 176.300 0.049 0.000 1.121 452 M CA -0.878 54.451 55.300 0.049 0.000 0.934 452 M CB 2.219 34.855 32.600 0.060 0.000 1.692 452 M HN 0.052 nan 8.290 nan 0.000 0.444 453 I N 1.773 122.373 120.570 0.051 0.000 2.533 453 I HA 0.047 4.217 4.170 -0.000 0.000 0.284 453 I C 0.918 177.061 176.117 0.043 0.000 1.109 453 I CA 0.158 61.481 61.300 0.039 0.000 1.412 453 I CB 1.090 39.112 38.000 0.036 0.000 1.396 453 I HN 0.890 nan 8.210 nan 0.000 0.543 454 A N 7.164 129.999 122.820 0.026 0.000 2.035 454 A HA 0.418 4.738 4.320 -0.000 0.000 0.208 454 A C 0.629 178.215 177.584 0.004 0.000 1.206 454 A CA 0.542 52.590 52.037 0.018 0.000 0.773 454 A CB 0.432 19.446 19.000 0.024 0.000 0.878 454 A HN 0.648 nan 8.150 nan 0.000 0.469 455 I N -2.011 118.567 120.570 0.013 0.000 2.842 455 I HA 0.603 4.773 4.170 -0.000 0.000 0.297 455 I C -1.421 174.733 176.117 0.061 0.000 1.380 455 I CA -0.468 60.854 61.300 0.037 0.000 1.018 455 I CB 2.195 40.232 38.000 0.061 0.000 1.311 455 I HN 0.267 nan 8.210 nan 0.000 0.439 456 A N 5.698 128.556 122.820 0.065 0.000 2.586 456 A HA 0.810 5.130 4.320 -0.000 0.000 0.291 456 A C -3.110 174.336 177.584 -0.230 0.000 1.062 456 A CA -1.149 50.880 52.037 -0.013 0.000 0.666 456 A CB 1.583 20.543 19.000 -0.065 0.000 1.281 456 A HN 0.306 nan 8.150 nan 0.000 0.421 457 P HA 0.517 nan 4.420 nan 0.000 0.276 457 P C -0.765 176.305 177.300 -0.383 0.000 1.230 457 P CA 0.075 62.745 63.100 -0.717 0.000 0.776 457 P CB 0.602 31.877 31.700 -0.708 0.000 0.888 458 M N 2.987 122.369 119.600 -0.363 0.000 2.326 458 M HA 0.602 5.082 4.480 -0.000 0.000 0.292 458 M C -0.221 175.912 176.300 -0.277 0.000 1.081 458 M CA -0.402 54.735 55.300 -0.272 0.000 0.919 458 M CB 1.530 33.986 32.600 -0.241 0.000 1.634 458 M HN 0.408 nan 8.290 nan 0.000 0.451 459 G N 1.324 110.014 108.800 -0.184 0.000 2.510 459 G HA2 0.254 4.214 3.960 -0.000 0.000 0.280 459 G HA3 0.254 4.214 3.960 -0.000 0.000 0.280 459 G C -0.874 173.959 174.900 -0.112 0.000 1.386 459 G CA -0.576 44.442 45.100 -0.137 0.000 1.047 459 G HN 0.759 nan 8.290 nan 0.000 0.527 460 D N -0.143 120.219 120.400 -0.063 0.000 2.793 460 D HA -0.111 4.529 4.640 -0.000 0.000 0.230 460 D C 1.749 178.023 176.300 -0.044 0.000 1.139 460 D CA -0.238 53.740 54.000 -0.038 0.000 0.838 460 D CB 0.236 41.024 40.800 -0.020 0.000 1.149 460 D HN 0.045 nan 8.370 nan 0.000 0.526 461 I N 3.742 124.287 120.570 -0.042 0.000 2.361 461 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 461 I C 1.877 177.981 176.117 -0.021 0.000 1.133 461 I CA 1.047 62.324 61.300 -0.038 0.000 1.413 461 I CB -1.150 36.829 38.000 -0.035 0.000 1.073 461 I HN 0.464 nan 8.210 nan 0.000 0.424 462 N N 0.919 119.610 118.700 -0.014 0.000 2.336 462 N HA 0.117 4.857 4.740 -0.000 0.000 0.189 462 N C 0.661 176.166 175.510 -0.009 0.000 1.113 462 N CA 0.172 53.217 53.050 -0.008 0.000 0.858 462 N CB 0.226 38.710 38.487 -0.004 0.000 0.970 462 N HN 0.273 nan 8.380 nan 0.000 0.471 463 A N -0.457 122.355 122.820 -0.013 0.000 2.386 463 A HA 0.244 4.564 4.320 -0.000 0.000 0.246 463 A C 1.406 178.983 177.584 -0.011 0.000 1.089 463 A CA 0.242 52.271 52.037 -0.013 0.000 0.790 463 A CB 0.025 19.013 19.000 -0.019 0.000 1.042 463 A HN 0.468 nan 8.150 nan 0.000 0.497 464 S N -0.341 115.353 115.700 -0.010 0.000 2.489 464 S HA 0.166 4.636 4.470 -0.000 0.000 0.228 464 S C 0.536 175.132 174.600 -0.008 0.000 0.995 464 S CA 0.954 59.150 58.200 -0.007 0.000 0.934 464 S CB -0.954 62.242 63.200 -0.007 0.000 0.771 464 S HN 0.798 nan 8.310 nan 0.000 0.522 465 I N -3.098 117.465 120.570 -0.012 0.000 3.191 465 I HA 0.453 4.623 4.170 -0.000 0.000 0.313 465 I C -2.532 173.570 176.117 -0.024 0.000 1.193 465 I CA -2.724 58.567 61.300 -0.014 0.000 0.968 465 I CB 1.731 39.722 38.000 -0.014 0.000 1.262 465 I HN -0.361 nan 8.210 nan 0.000 0.456 466 P HA -0.017 nan 4.420 nan 0.000 0.245 466 P C 1.038 178.300 177.300 -0.063 0.000 1.206 466 P CA 0.909 63.981 63.100 -0.046 0.000 0.781 466 P CB 0.102 31.776 31.700 -0.043 0.000 0.994 467 T N -4.169 110.354 114.554 -0.051 0.000 3.054 467 T HA 0.178 4.528 4.350 -0.000 0.000 0.259 467 T C -1.505 173.164 174.700 -0.052 0.000 1.092 467 T CA -0.339 61.727 62.100 -0.057 0.000 1.121 467 T CB -2.009 66.833 68.868 -0.044 0.000 0.912 467 T HN 0.126 nan 8.240 nan 0.000 0.489 468 P HA 0.172 nan 4.420 nan 0.000 0.267 468 P C 0.113 177.394 177.300 -0.032 0.000 1.200 468 P CA -0.127 62.955 63.100 -0.031 0.000 0.772 468 P CB 0.356 32.043 31.700 -0.023 0.000 0.855 469 Q N 2.966 122.755 119.800 -0.020 0.000 2.421 469 Q HA 0.185 4.525 4.340 -0.000 0.000 0.255 469 Q C -1.879 174.126 176.000 0.008 0.000 1.013 469 Q CA -1.152 54.647 55.803 -0.007 0.000 0.895 469 Q CB -0.555 28.183 28.738 -0.001 0.000 1.271 469 Q HN 0.404 nan 8.270 nan 0.000 0.460 470 P HA 0.212 nan 4.420 nan 0.000 0.285 470 P C -0.846 176.493 177.300 0.065 0.000 1.259 470 P CA -0.348 62.797 63.100 0.075 0.000 0.794 470 P CB 0.933 32.714 31.700 0.135 0.000 0.940 471 V N 5.132 125.060 119.914 0.023 0.000 2.347 471 V HA 0.371 4.491 4.120 -0.000 0.000 0.280 471 V C 0.133 176.215 176.094 -0.021 0.000 1.021 471 V CA -0.146 62.105 62.300 -0.082 0.000 0.847 471 V CB 0.243 31.987 31.823 -0.132 0.000 0.990 471 V HN 0.877 nan 8.190 nan 0.000 0.444 472 H N 2.043 121.028 119.070 -0.142 0.000 3.008 472 H HA 0.632 5.188 4.556 -0.000 0.000 0.354 472 H C -1.541 173.691 175.328 -0.160 0.000 1.252 472 H CA -1.127 54.858 56.048 -0.105 0.000 1.117 472 H CB 0.763 30.534 29.762 0.016 0.000 1.857 472 H HN 0.369 nan 8.280 nan 0.000 0.547 473 Y N 1.244 121.589 120.300 0.075 0.000 2.544 473 Y HA 0.259 4.809 4.550 -0.000 0.000 0.330 473 Y C 0.607 176.507 175.900 -0.001 0.000 1.136 473 Y CA 0.318 58.419 58.100 0.001 0.000 1.417 473 Y CB 0.493 38.965 38.460 0.020 0.000 1.229 473 Y HN 0.372 nan 8.280 nan 0.000 0.532 474 R N 4.207 124.721 120.500 0.024 0.000 2.744 474 R HA 0.425 4.765 4.340 -0.000 0.000 0.279 474 R C -2.975 173.308 176.300 -0.028 0.000 0.977 474 R CA -2.355 53.733 56.100 -0.019 0.000 0.906 474 R CB 1.578 31.799 30.300 -0.131 0.000 1.197 474 R HN 0.320 nan 8.270 nan 0.000 0.463 475 P HA 0.051 nan 4.420 nan 0.000 0.268 475 P C -0.433 176.780 177.300 -0.145 0.000 1.204 475 P CA 0.195 63.258 63.100 -0.061 0.000 0.768 475 P CB 0.628 32.294 31.700 -0.057 0.000 0.842 476 M N 1.761 121.275 119.600 -0.143 0.000 2.840 476 M HA 0.340 4.820 4.480 -0.000 0.000 0.283 476 M C 1.378 177.523 176.300 -0.259 0.000 1.136 476 M CA -0.702 54.449 55.300 -0.249 0.000 0.857 476 M CB -0.433 32.105 32.600 -0.104 0.000 1.644 476 M HN 0.233 nan 8.290 nan 0.000 0.520 477 F N 0.632 120.566 119.950 -0.027 0.000 2.202 477 F HA -0.085 4.442 4.527 -0.000 0.000 0.301 477 F C 2.243 178.025 175.800 -0.031 0.000 1.082 477 F CA 1.470 59.451 58.000 -0.032 0.000 1.313 477 F CB -0.893 38.086 39.000 -0.035 0.000 1.024 477 F HN 0.753 nan 8.300 nan 0.000 0.495 478 G N -0.667 108.207 108.800 0.124 0.000 2.559 478 G HA2 0.018 3.978 3.960 -0.000 0.000 0.216 478 G HA3 0.018 3.978 3.960 -0.000 0.000 0.216 478 G C 1.484 176.403 174.900 0.030 0.000 1.126 478 G CA 0.604 45.747 45.100 0.073 0.000 0.778 478 G HN 0.429 nan 8.290 nan 0.000 0.543 479 A N -0.284 122.537 122.820 0.002 0.000 2.430 479 A HA 0.603 4.923 4.320 -0.000 0.000 0.243 479 A C 0.559 178.117 177.584 -0.045 0.000 1.254 479 A CA -0.326 51.698 52.037 -0.021 0.000 0.914 479 A CB 0.142 19.127 19.000 -0.025 0.000 0.998 479 A HN 0.244 nan 8.150 nan 0.000 0.515 480 L N -0.182 121.018 121.223 -0.037 0.000 2.295 480 L HA 0.489 4.829 4.340 -0.000 0.000 0.285 480 L C 1.626 178.436 176.870 -0.099 0.000 1.035 480 L CA -0.209 54.602 54.840 -0.050 0.000 0.806 480 L CB 1.154 43.213 42.059 -0.000 0.000 1.214 480 L HN 0.516 nan 8.230 nan 0.000 0.426 481 G N 2.325 111.039 108.800 -0.143 0.000 2.668 481 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.429 481 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.429 481 G C 1.144 175.766 174.900 -0.463 0.000 1.182 481 G CA 0.996 45.949 45.100 -0.245 0.000 0.911 481 G HN 0.630 nan 8.290 nan 0.000 0.631 482 S N 0.658 116.214 115.700 -0.241 0.000 2.419 482 S HA 0.056 4.526 4.470 -0.000 0.000 0.233 482 S C 2.725 177.292 174.600 -0.055 0.000 1.016 482 S CA 1.821 59.948 58.200 -0.121 0.000 0.974 482 S CB -0.504 62.710 63.200 0.024 0.000 0.786 482 S HN 1.169 nan 8.310 nan 0.000 0.492 483 A N 1.804 124.591 122.820 -0.056 0.000 1.930 483 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 483 A C 2.075 179.674 177.584 0.026 0.000 1.175 483 A CA 1.276 53.315 52.037 0.003 0.000 0.627 483 A CB -0.501 18.510 19.000 0.019 0.000 0.815 483 A HN 0.431 nan 8.150 nan 0.000 0.443 484 R N -0.630 119.832 120.500 -0.064 0.000 2.073 484 R HA -0.199 4.141 4.340 -0.000 0.000 0.234 484 R C 1.948 178.271 176.300 0.038 0.000 1.134 484 R CA 2.048 58.122 56.100 -0.044 0.000 0.952 484 R CB -0.622 29.608 30.300 -0.117 0.000 0.850 484 R HN 0.782 nan 8.270 nan 0.000 0.433 485 H N -2.043 117.051 119.070 0.040 0.000 2.387 485 H HA -0.186 4.370 4.556 -0.000 0.000 0.299 485 H C 1.979 177.319 175.328 0.019 0.000 1.099 485 H CA 1.647 57.705 56.048 0.017 0.000 1.315 485 H CB -0.133 29.640 29.762 0.018 0.000 1.380 485 H HN 0.462 nan 8.280 nan 0.000 0.513 486 H N -0.808 118.323 119.070 0.102 0.000 2.502 486 H HA 0.019 4.575 4.556 -0.000 0.000 0.283 486 H C 1.252 176.596 175.328 0.027 0.000 1.015 486 H CA 0.964 57.042 56.048 0.049 0.000 1.298 486 H CB 0.249 30.031 29.762 0.034 0.000 1.411 486 H HN 0.302 nan 8.280 nan 0.000 0.556 487 C N 1.373 120.751 119.300 0.130 0.000 2.906 487 C HA 0.273 4.733 4.460 -0.000 0.000 0.274 487 C C 0.680 175.687 174.990 0.030 0.000 1.257 487 C CA -0.344 58.724 59.018 0.084 0.000 1.695 487 C CB -1.171 26.627 27.740 0.097 0.000 1.958 487 C HN 0.517 nan 8.230 nan 0.000 0.619 488 R N 0.098 120.601 120.500 0.005 0.000 2.892 488 R HA 0.837 5.177 4.340 -0.000 0.000 0.265 488 R C -1.545 174.690 176.300 -0.108 0.000 1.025 488 R CA -0.663 55.421 56.100 -0.027 0.000 0.982 488 R CB 0.963 31.266 30.300 0.005 0.000 1.185 488 R HN 0.093 nan 8.270 nan 0.000 0.484 489 L N 0.707 121.813 121.223 -0.196 0.000 2.381 489 L HA 0.471 4.811 4.340 -0.000 0.000 0.268 489 L C -0.677 175.914 176.870 -0.464 0.000 0.997 489 L CA -0.903 53.706 54.840 -0.386 0.000 0.818 489 L CB 2.759 44.434 42.059 -0.640 0.000 1.310 489 L HN 0.742 nan 8.230 nan 0.000 0.416 490 T N 2.368 116.687 114.554 -0.392 0.000 2.772 490 T HA 0.513 4.863 4.350 -0.000 0.000 0.288 490 T C -0.491 174.046 174.700 -0.272 0.000 0.994 490 T CA -0.260 61.685 62.100 -0.259 0.000 0.951 490 T CB 0.289 69.076 68.868 -0.136 0.000 0.933 490 T HN 0.097 nan 8.240 nan 0.000 0.447 491 F N 3.407 123.376 119.950 0.030 0.000 2.396 491 F HA 0.542 5.069 4.527 -0.000 0.000 0.343 491 F C 0.450 176.275 175.800 0.043 0.000 1.104 491 F CA -0.771 57.257 58.000 0.046 0.000 1.161 491 F CB 0.658 39.697 39.000 0.065 0.000 1.146 491 F HN 0.185 nan 8.300 nan 0.000 0.522 492 L N 1.675 123.035 121.223 0.229 0.000 2.309 492 L HA 0.512 4.852 4.340 -0.000 0.000 0.261 492 L C -0.157 176.793 176.870 0.134 0.000 1.021 492 L CA -1.095 53.828 54.840 0.137 0.000 0.823 492 L CB 2.386 44.490 42.059 0.076 0.000 1.366 492 L HN 0.644 nan 8.230 nan 0.000 0.423 493 S N -0.559 115.196 115.700 0.092 0.000 2.603 493 S HA 0.172 4.642 4.470 -0.000 0.000 0.268 493 S C 0.528 175.163 174.600 0.058 0.000 1.317 493 S CA -0.558 57.685 58.200 0.073 0.000 1.012 493 S CB 1.351 64.582 63.200 0.052 0.000 0.926 493 S HN 0.687 nan 8.310 nan 0.000 0.539 494 Q N 0.937 120.764 119.800 0.046 0.000 2.135 494 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 494 Q C 2.468 178.482 176.000 0.024 0.000 0.981 494 Q CA 1.639 57.461 55.803 0.032 0.000 0.856 494 Q CB -0.610 28.139 28.738 0.019 0.000 0.902 494 Q HN 0.925 nan 8.270 nan 0.000 0.425 495 A N 1.000 123.832 122.820 0.020 0.000 1.902 495 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 495 A C 2.293 179.886 177.584 0.015 0.000 1.181 495 A CA 1.551 53.597 52.037 0.014 0.000 0.623 495 A CB -0.809 18.198 19.000 0.012 0.000 0.818 495 A HN 0.400 nan 8.150 nan 0.000 0.443 496 A N -0.111 122.721 122.820 0.020 0.000 1.902 496 A HA 0.177 4.497 4.320 -0.000 0.000 0.217 496 A C 2.515 180.107 177.584 0.013 0.000 1.181 496 A CA 2.060 54.106 52.037 0.016 0.000 0.623 496 A CB -1.051 17.963 19.000 0.022 0.000 0.818 496 A HN 1.048 nan 8.150 nan 0.000 0.443 497 A N -0.038 122.795 122.820 0.021 0.000 1.883 497 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 497 A C 2.511 180.101 177.584 0.010 0.000 1.186 497 A CA 2.316 54.363 52.037 0.018 0.000 0.624 497 A CB -1.062 17.956 19.000 0.030 0.000 0.822 497 A HN 1.101 nan 8.150 nan 0.000 0.444 498 A N -0.102 122.725 122.820 0.010 0.000 1.969 498 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 498 A C 1.736 179.321 177.584 0.003 0.000 1.169 498 A CA 1.589 53.630 52.037 0.006 0.000 0.635 498 A CB -0.551 18.453 19.000 0.006 0.000 0.810 498 A HN 0.525 nan 8.150 nan 0.000 0.445 499 N N -0.370 118.332 118.700 0.003 0.000 2.550 499 N HA 0.056 4.796 4.740 -0.000 0.000 0.186 499 N C 1.106 176.614 175.510 -0.004 0.000 1.110 499 N CA 1.094 54.144 53.050 -0.000 0.000 0.912 499 N CB -0.128 38.360 38.487 0.001 0.000 0.968 499 N HN 0.677 nan 8.380 nan 0.000 0.448 500 G N -0.045 108.752 108.800 -0.005 0.000 2.182 500 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.248 500 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.248 500 G C 0.952 175.843 174.900 -0.016 0.000 1.042 500 G CA 0.363 45.457 45.100 -0.010 0.000 0.775 500 G HN 0.209 nan 8.290 nan 0.000 0.501 501 V N 0.052 119.957 119.914 -0.015 0.000 2.407 501 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 501 V C 3.188 179.261 176.094 -0.035 0.000 1.055 501 V CA 3.084 65.371 62.300 -0.023 0.000 1.049 501 V CB -0.822 30.990 31.823 -0.017 0.000 0.662 501 V HN 0.999 nan 8.190 nan 0.000 0.455 502 A N -0.203 122.597 122.820 -0.034 0.000 1.933 502 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 502 A C 2.104 179.658 177.584 -0.049 0.000 1.175 502 A CA 1.973 53.982 52.037 -0.047 0.000 0.628 502 A CB -0.409 18.565 19.000 -0.044 0.000 0.814 502 A HN 0.558 nan 8.150 nan 0.000 0.444 503 E N -0.602 119.575 120.200 -0.038 0.000 2.072 503 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 503 E C 2.147 178.725 176.600 -0.037 0.000 0.982 503 E CA 1.152 57.531 56.400 -0.035 0.000 0.803 503 E CB -0.282 29.403 29.700 -0.025 0.000 0.755 503 E HN 0.618 nan 8.360 nan 0.000 0.453 504 R N 0.350 120.829 120.500 -0.035 0.000 2.073 504 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 504 R C 1.866 178.137 176.300 -0.048 0.000 1.134 504 R CA 1.194 57.273 56.100 -0.035 0.000 0.952 504 R CB -0.215 30.067 30.300 -0.030 0.000 0.850 504 R HN 0.194 nan 8.270 nan 0.000 0.433 505 L N 0.459 121.646 121.223 -0.060 0.000 2.554 505 L HA 0.027 4.367 4.340 -0.000 0.000 0.226 505 L C 0.605 177.426 176.870 -0.081 0.000 1.137 505 L CA 0.219 55.012 54.840 -0.079 0.000 0.863 505 L CB -0.340 41.664 42.059 -0.093 0.000 0.985 505 L HN 0.459 nan 8.230 nan 0.000 0.451 506 N N 1.183 119.840 118.700 -0.071 0.000 2.756 506 N HA -0.174 4.566 4.740 -0.000 0.000 0.248 506 N C -0.452 174.997 175.510 -0.102 0.000 1.062 506 N CA -0.153 52.852 53.050 -0.074 0.000 0.696 506 N CB -0.431 38.018 38.487 -0.064 0.000 0.946 506 N HN 0.035 nan 8.380 nan 0.000 0.548 507 L N 1.416 122.573 121.223 -0.109 0.000 2.455 507 L HA 0.062 4.402 4.340 -0.000 0.000 0.272 507 L C 1.827 178.592 176.870 -0.175 0.000 1.174 507 L CA 0.794 55.547 54.840 -0.144 0.000 0.869 507 L CB 0.848 42.835 42.059 -0.121 0.000 1.130 507 L HN 0.173 nan 8.230 nan 0.000 0.474 508 R N 0.397 120.724 120.500 -0.287 0.000 2.223 508 R HA 0.167 4.507 4.340 -0.000 0.000 0.198 508 R C 0.597 176.731 176.300 -0.278 0.000 0.984 508 R CA 0.184 56.073 56.100 -0.352 0.000 1.018 508 R CB 0.029 29.914 30.300 -0.691 0.000 0.945 508 R HN 0.634 nan 8.270 nan 0.000 0.479 509 S N 0.338 115.883 115.700 -0.257 0.000 2.624 509 S HA 0.506 4.976 4.470 -0.000 0.000 0.263 509 S C 0.127 174.658 174.600 -0.115 0.000 1.287 509 S CA -0.494 57.638 58.200 -0.114 0.000 0.990 509 S CB 1.125 64.274 63.200 -0.085 0.000 0.950 509 S HN 0.382 nan 8.310 nan 0.000 0.561 510 A N 1.440 124.187 122.820 -0.122 0.000 2.445 510 A HA 0.452 4.772 4.320 -0.000 0.000 0.242 510 A C -0.128 177.364 177.584 -0.154 0.000 1.075 510 A CA -0.167 51.782 52.037 -0.146 0.000 0.777 510 A CB -0.196 18.696 19.000 -0.181 0.000 1.013 510 A HN 0.588 nan 8.150 nan 0.000 0.493 511 I N 0.800 121.297 120.570 -0.122 0.000 2.460 511 I HA 0.619 4.789 4.170 -0.000 0.000 0.298 511 I C 0.505 176.573 176.117 -0.081 0.000 0.989 511 I CA -0.148 61.087 61.300 -0.109 0.000 1.173 511 I CB 1.207 39.173 38.000 -0.057 0.000 1.338 511 I HN 0.749 nan 8.210 nan 0.000 0.456 512 A N 5.813 128.587 122.820 -0.077 0.000 2.435 512 A HA 0.820 5.140 4.320 -0.000 0.000 0.304 512 A C -1.096 176.636 177.584 0.247 0.000 1.064 512 A CA -0.513 51.571 52.037 0.078 0.000 0.727 512 A CB 1.790 20.803 19.000 0.022 0.000 1.284 512 A HN 0.370 nan 8.150 nan 0.000 0.415 513 V N 1.735 121.835 119.914 0.310 0.000 2.581 513 V HA 0.563 4.683 4.120 -0.000 0.000 0.303 513 V C 0.327 176.622 176.094 0.335 0.000 1.041 513 V CA -0.571 61.887 62.300 0.264 0.000 0.907 513 V CB 1.581 33.492 31.823 0.146 0.000 0.994 513 V HN 1.047 nan 8.190 nan 0.000 0.442 514 V N 2.399 122.455 119.914 0.238 0.000 2.686 514 V HA 0.804 4.924 4.120 -0.000 0.000 0.295 514 V C -0.367 175.773 176.094 0.077 0.000 1.057 514 V CA -0.500 61.909 62.300 0.182 0.000 1.012 514 V CB 0.942 32.825 31.823 0.099 0.000 1.006 514 V HN 1.081 nan 8.190 nan 0.000 0.477 515 K N 1.841 122.256 120.400 0.025 0.000 2.578 515 K HA 0.687 5.007 4.320 -0.000 0.000 0.269 515 K C 0.074 176.646 176.600 -0.047 0.000 0.941 515 K CA -0.544 55.714 56.287 -0.048 0.000 0.847 515 K CB 1.439 33.859 32.500 -0.133 0.000 1.397 515 K HN 1.946 nan 8.250 nan 0.000 0.422 516 G N 0.818 109.591 108.800 -0.046 0.000 2.149 516 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.235 516 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.235 516 G C 0.523 175.396 174.900 -0.045 0.000 1.018 516 G CA 0.110 45.185 45.100 -0.043 0.000 0.728 516 G HN 0.672 nan 8.290 nan 0.000 0.508 517 C N -0.353 118.919 119.300 -0.046 0.000 2.485 517 C HA 0.153 4.613 4.460 -0.000 0.000 0.277 517 C C 2.563 177.508 174.990 -0.074 0.000 1.376 517 C CA 0.988 59.963 59.018 -0.070 0.000 1.759 517 C CB -0.438 27.264 27.740 -0.065 0.000 1.970 517 C HN 0.590 nan 8.230 nan 0.000 0.509 518 R N 1.235 121.703 120.500 -0.055 0.000 2.210 518 R HA -0.004 4.336 4.340 -0.000 0.000 0.203 518 R C 1.980 178.251 176.300 -0.047 0.000 1.010 518 R CA 1.573 57.643 56.100 -0.050 0.000 1.008 518 R CB -1.331 28.946 30.300 -0.039 0.000 0.923 518 R HN 0.692 nan 8.270 nan 0.000 0.469 519 T N -0.859 113.667 114.554 -0.045 0.000 3.081 519 T HA 0.090 4.440 4.350 -0.000 0.000 0.255 519 T C 1.172 175.845 174.700 -0.045 0.000 1.113 519 T CA -0.133 61.943 62.100 -0.040 0.000 1.082 519 T CB -0.390 68.458 68.868 -0.035 0.000 0.939 519 T HN -0.020 nan 8.240 nan 0.000 0.506 520 V N 1.572 121.452 119.914 -0.057 0.000 2.686 520 V HA 0.540 4.660 4.120 -0.000 0.000 0.295 520 V C -0.284 175.772 176.094 -0.063 0.000 1.055 520 V CA -1.048 61.214 62.300 -0.064 0.000 1.050 520 V CB 0.557 32.330 31.823 -0.084 0.000 0.984 520 V HN 0.686 nan 8.190 nan 0.000 0.482 521 Q N 1.809 121.575 119.800 -0.057 0.000 2.615 521 Q HA 0.533 4.873 4.340 -0.000 0.000 0.298 521 Q C 0.366 176.335 176.000 -0.051 0.000 1.023 521 Q CA -1.110 54.663 55.803 -0.049 0.000 0.768 521 Q CB 1.603 30.321 28.738 -0.033 0.000 1.500 521 Q HN 0.359 nan 8.270 nan 0.000 0.441 522 K N 0.809 121.184 120.400 -0.042 0.000 2.113 522 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 522 K C 1.767 178.347 176.600 -0.034 0.000 1.047 522 K CA 2.374 58.636 56.287 -0.041 0.000 0.928 522 K CB -0.854 31.629 32.500 -0.027 0.000 0.716 522 K HN 0.674 nan 8.250 nan 0.000 0.446 523 A N 0.491 123.295 122.820 -0.026 0.000 2.125 523 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 523 A C 1.282 178.850 177.584 -0.027 0.000 1.156 523 A CA 1.818 53.844 52.037 -0.019 0.000 0.671 523 A CB -0.366 18.626 19.000 -0.013 0.000 0.794 523 A HN 0.387 nan 8.150 nan 0.000 0.459 524 D N -0.610 119.765 120.400 -0.042 0.000 2.348 524 D HA 0.045 4.685 4.640 -0.000 0.000 0.211 524 D C 0.339 176.593 176.300 -0.077 0.000 0.998 524 D CA 0.246 54.213 54.000 -0.055 0.000 0.873 524 D CB -0.089 40.678 40.800 -0.056 0.000 0.925 524 D HN 0.280 nan 8.370 nan 0.000 0.524 525 M N 1.741 121.297 119.600 -0.074 0.000 2.251 525 M HA 0.063 4.543 4.480 -0.000 0.000 0.346 525 M C 0.024 176.262 176.300 -0.104 0.000 1.499 525 M CA -0.218 55.029 55.300 -0.089 0.000 1.128 525 M CB 0.752 33.309 32.600 -0.072 0.000 1.809 525 M HN -0.322 nan 8.290 nan 0.000 0.464 526 V N 6.388 126.194 119.914 -0.180 0.000 2.493 526 V HA -0.077 4.043 4.120 -0.000 0.000 0.292 526 V C 1.112 177.078 176.094 -0.213 0.000 1.016 526 V CA 0.315 62.428 62.300 -0.311 0.000 1.097 526 V CB -0.846 30.671 31.823 -0.510 0.000 0.947 526 V HN 0.902 nan 8.190 nan 0.000 0.479 527 H N 2.688 121.778 119.070 0.033 0.000 3.329 527 H HA -0.163 4.393 4.556 -0.000 0.000 0.245 527 H C 0.587 175.940 175.328 0.042 0.000 1.099 527 H CA 1.376 57.472 56.048 0.079 0.000 1.186 527 H CB -1.321 28.420 29.762 -0.035 0.000 1.243 527 H HN 0.852 nan 8.280 nan 0.000 0.319 528 N N 0.019 118.771 118.700 0.088 0.000 2.687 528 N HA 0.127 4.867 4.740 -0.000 0.000 0.275 528 N C 0.167 175.689 175.510 0.020 0.000 1.789 528 N CA 0.654 53.730 53.050 0.042 0.000 0.806 528 N CB 0.998 39.484 38.487 -0.002 0.000 1.256 528 N HN 0.292 nan 8.380 nan 0.000 0.500 529 S N -0.739 114.984 115.700 0.039 0.000 2.593 529 S HA 0.153 4.622 4.470 -0.000 0.000 0.236 529 S C 0.420 175.033 174.600 0.022 0.000 0.991 529 S CA -0.412 57.798 58.200 0.018 0.000 0.963 529 S CB 0.275 63.487 63.200 0.019 0.000 0.865 529 S HN 0.251 nan 8.310 nan 0.000 0.488 530 L N 2.705 123.948 121.223 0.034 0.000 2.455 530 L HA 0.307 4.646 4.340 -0.000 0.000 0.272 530 L C -0.137 176.743 176.870 0.017 0.000 1.174 530 L CA 0.910 55.769 54.840 0.030 0.000 0.869 530 L CB 0.433 42.517 42.059 0.042 0.000 1.130 530 L HN 0.293 nan 8.230 nan 0.000 0.474 531 Q N 7.067 126.870 119.800 0.004 0.000 2.571 531 Q HA 0.384 4.724 4.340 -0.000 0.000 0.243 531 Q C -2.240 173.750 176.000 -0.017 0.000 1.055 531 Q CA -1.722 54.073 55.803 -0.014 0.000 0.815 531 Q CB 1.003 29.722 28.738 -0.033 0.000 1.151 531 Q HN 0.547 nan 8.270 nan 0.000 0.519 532 P HA 0.065 nan 4.420 nan 0.000 0.277 532 P C -0.589 176.700 177.300 -0.018 0.000 1.240 532 P CA -0.493 62.606 63.100 -0.001 0.000 0.798 532 P CB 0.900 32.611 31.700 0.019 0.000 0.979 533 N N 2.503 121.192 118.700 -0.018 0.000 2.739 533 N HA 0.127 4.867 4.740 -0.000 0.000 0.266 533 N C -0.541 174.964 175.510 -0.009 0.000 1.168 533 N CA -0.173 52.862 53.050 -0.025 0.000 1.055 533 N CB -1.026 37.448 38.487 -0.022 0.000 1.393 533 N HN 0.422 nan 8.380 nan 0.000 0.514 534 I N 2.182 122.751 120.570 -0.001 0.000 2.392 534 I HA 0.455 4.625 4.170 -0.000 0.000 0.295 534 I C -0.331 175.798 176.117 0.020 0.000 0.985 534 I CA -0.342 60.969 61.300 0.017 0.000 1.221 534 I CB 1.129 39.152 38.000 0.039 0.000 1.366 534 I HN 0.472 nan 8.210 nan 0.000 0.467 535 T N 3.943 118.509 114.554 0.021 0.000 2.906 535 T HA 0.685 5.035 4.350 -0.000 0.000 0.295 535 T C -0.931 173.785 174.700 0.027 0.000 1.061 535 T CA -0.717 61.395 62.100 0.020 0.000 1.000 535 T CB 1.824 70.698 68.868 0.010 0.000 1.103 535 T HN 0.287 nan 8.240 nan 0.000 0.486 536 V N 2.020 121.953 119.914 0.031 0.000 2.531 536 V HA 0.399 4.519 4.120 -0.000 0.000 0.301 536 V C -0.345 175.777 176.094 0.046 0.000 1.034 536 V CA -0.897 61.430 62.300 0.046 0.000 0.865 536 V CB 1.721 33.578 31.823 0.055 0.000 0.995 536 V HN 1.063 nan 8.190 nan 0.000 0.424 537 D N 3.542 123.974 120.400 0.054 0.000 2.358 537 D HA 0.228 4.868 4.640 -0.000 0.000 0.258 537 D C 1.100 177.443 176.300 0.072 0.000 1.223 537 D CA 0.402 54.422 54.000 0.033 0.000 0.886 537 D CB 2.092 42.895 40.800 0.005 0.000 1.120 537 D HN 0.670 nan 8.370 nan 0.000 0.482 538 A N 4.253 127.096 122.820 0.038 0.000 1.978 538 A HA -0.257 4.062 4.320 -0.000 0.000 0.220 538 A C 1.904 179.522 177.584 0.057 0.000 1.170 538 A CA 1.615 53.690 52.037 0.063 0.000 0.636 538 A CB -0.090 18.898 19.000 -0.020 0.000 0.810 538 A HN 0.673 nan 8.150 nan 0.000 0.448 539 Q N -1.299 118.463 119.800 -0.065 0.000 2.178 539 Q HA -0.011 4.329 4.340 -0.000 0.000 0.195 539 Q C 2.214 177.933 176.000 -0.469 0.000 0.960 539 Q CA 1.650 57.336 55.803 -0.195 0.000 0.843 539 Q CB -0.250 28.411 28.738 -0.128 0.000 0.927 539 Q HN 0.761 nan 8.270 nan 0.000 0.487 540 T N -3.150 111.211 114.554 -0.322 0.000 3.067 540 T HA -0.024 4.326 4.350 -0.000 0.000 0.257 540 T C -0.118 174.412 174.700 -0.283 0.000 1.105 540 T CA 0.248 62.144 62.100 -0.340 0.000 1.104 540 T CB -0.008 68.775 68.868 -0.142 0.000 0.925 540 T HN 0.277 nan 8.240 nan 0.000 0.498 541 Y N 0.451 120.740 120.300 -0.017 0.000 4.907 541 Y HA -0.179 4.371 4.550 -0.000 0.000 0.246 541 Y C 0.215 176.101 175.900 -0.023 0.000 0.968 541 Y CA -0.374 57.714 58.100 -0.019 0.000 1.961 541 Y CB -2.931 35.516 38.460 -0.022 0.000 1.487 541 Y HN 0.499 nan 8.280 nan 0.000 0.575 542 E N 0.599 120.854 120.200 0.091 0.000 2.376 542 E HA 0.341 4.691 4.350 -0.000 0.000 0.266 542 E C 0.019 176.644 176.600 0.041 0.000 1.009 542 E CA -0.105 56.323 56.400 0.046 0.000 0.902 542 E CB 1.108 30.817 29.700 0.014 0.000 0.972 542 E HN 0.034 nan 8.360 nan 0.000 0.439 543 V N 4.834 124.763 119.914 0.026 0.000 2.439 543 V HA 0.335 4.454 4.120 -0.000 0.000 0.282 543 V C 0.190 176.291 176.094 0.012 0.000 1.039 543 V CA -0.334 61.977 62.300 0.019 0.000 0.913 543 V CB 1.029 32.855 31.823 0.005 0.000 0.983 543 V HN 0.613 nan 8.190 nan 0.000 0.460 544 R N 3.014 123.522 120.500 0.013 0.000 2.686 544 R HA 0.773 5.113 4.340 -0.000 0.000 0.283 544 R C -1.721 174.585 176.300 0.010 0.000 0.978 544 R CA -0.753 55.352 56.100 0.009 0.000 0.897 544 R CB 2.658 32.962 30.300 0.007 0.000 1.192 544 R HN 0.478 nan 8.270 nan 0.000 0.457 545 V N 2.990 122.908 119.914 0.008 0.000 2.407 545 V HA 0.166 4.286 4.120 -0.000 0.000 0.291 545 V C -0.326 175.771 176.094 0.004 0.000 1.018 545 V CA -0.530 61.774 62.300 0.007 0.000 0.842 545 V CB 1.539 33.368 31.823 0.010 0.000 0.996 545 V HN 0.874 nan 8.190 nan 0.000 0.426 546 D N 4.385 124.786 120.400 0.001 0.000 2.837 546 D HA -0.213 4.427 4.640 -0.000 0.000 0.230 546 D C 1.349 177.649 176.300 0.000 0.000 1.152 546 D CA 1.673 55.673 54.000 -0.001 0.000 0.736 546 D CB -1.016 39.784 40.800 -0.000 0.000 1.084 546 D HN 1.369 nan 8.370 nan 0.000 0.429 547 G N 0.031 108.831 108.800 0.001 0.000 2.304 547 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.252 547 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.252 547 G C 0.166 175.067 174.900 0.002 0.000 1.014 547 G CA 0.787 45.888 45.100 0.001 0.000 0.619 547 G HN 0.709 nan 8.290 nan 0.000 0.525 548 E N 1.069 121.271 120.200 0.003 0.000 2.331 548 E HA 0.563 4.913 4.350 -0.000 0.000 0.272 548 E C 0.107 176.710 176.600 0.006 0.000 1.036 548 E CA -0.987 55.416 56.400 0.005 0.000 0.864 548 E CB 1.616 31.320 29.700 0.006 0.000 1.035 548 E HN 0.422 nan 8.360 nan 0.000 0.408 549 L N 4.243 125.469 121.223 0.006 0.000 2.410 549 L HA 0.193 4.533 4.340 -0.000 0.000 0.273 549 L C -0.825 176.049 176.870 0.007 0.000 1.152 549 L CA -0.138 54.706 54.840 0.006 0.000 0.855 549 L CB 0.524 42.587 42.059 0.007 0.000 1.129 549 L HN 0.572 nan 8.230 nan 0.000 0.463 550 I N 5.148 125.721 120.570 0.004 0.000 2.354 550 I HA 0.504 4.674 4.170 -0.000 0.000 0.292 550 I C 0.300 176.415 176.117 -0.003 0.000 0.989 550 I CA -0.081 61.219 61.300 0.000 0.000 1.188 550 I CB 0.832 38.827 38.000 -0.008 0.000 1.342 550 I HN 0.711 nan 8.210 nan 0.000 0.457 551 T N 4.021 118.579 114.554 0.007 0.000 2.718 551 T HA 0.680 5.030 4.350 -0.000 0.000 0.306 551 T C -1.179 173.548 174.700 0.045 0.000 1.485 551 T CA -0.295 61.814 62.100 0.015 0.000 0.997 551 T CB 1.483 70.365 68.868 0.024 0.000 1.504 551 T HN 0.811 nan 8.240 nan 0.000 0.497 552 S N 0.833 116.587 115.700 0.089 0.000 2.643 552 S HA 0.755 5.225 4.470 -0.000 0.000 0.270 552 S C -1.836 172.892 174.600 0.214 0.000 1.166 552 S CA -0.978 57.300 58.200 0.131 0.000 0.815 552 S CB 1.870 65.152 63.200 0.135 0.000 1.139 552 S HN 0.638 nan 8.310 nan 0.000 0.472 553 E N 1.856 122.140 120.200 0.140 0.000 2.204 553 E HA 0.514 4.864 4.350 -0.000 0.000 0.276 553 E C -2.600 173.943 176.600 -0.095 0.000 0.974 553 E CA -2.243 54.192 56.400 0.060 0.000 0.815 553 E CB 1.466 31.174 29.700 0.013 0.000 1.119 553 E HN 0.496 nan 8.360 nan 0.000 0.393 554 P HA 0.141 nan 4.420 nan 0.000 0.276 554 P C -0.836 176.283 177.300 -0.302 0.000 1.235 554 P CA -0.263 62.392 63.100 -0.741 0.000 0.772 554 P CB 0.843 31.911 31.700 -1.053 0.000 0.871 555 A N 3.407 126.108 122.820 -0.199 0.000 2.388 555 A HA 0.209 4.529 4.320 -0.000 0.000 0.257 555 A C 1.247 178.784 177.584 -0.079 0.000 1.095 555 A CA -0.355 51.633 52.037 -0.082 0.000 0.791 555 A CB 0.075 19.066 19.000 -0.016 0.000 1.029 555 A HN 0.661 nan 8.150 nan 0.000 0.489 556 D N 0.767 121.140 120.400 -0.044 0.000 2.338 556 D HA 0.085 4.725 4.640 -0.000 0.000 0.208 556 D C 0.103 176.395 176.300 -0.013 0.000 0.997 556 D CA 0.588 54.568 54.000 -0.034 0.000 0.880 556 D CB 0.027 40.812 40.800 -0.026 0.000 0.980 556 D HN 0.206 nan 8.370 nan 0.000 0.509 557 V N 0.823 120.737 119.914 -0.000 0.000 2.888 557 V HA 0.428 4.548 4.120 -0.000 0.000 0.309 557 V C -0.639 175.464 176.094 0.015 0.000 1.114 557 V CA -0.878 61.426 62.300 0.008 0.000 0.940 557 V CB 2.710 34.539 31.823 0.010 0.000 1.021 557 V HN 0.060 nan 8.190 nan 0.000 0.426 558 L N 4.070 125.295 121.223 0.004 0.000 2.354 558 L HA 0.662 5.002 4.340 -0.000 0.000 0.264 558 L C -2.485 174.351 176.870 -0.056 0.000 1.008 558 L CA -1.754 53.072 54.840 -0.022 0.000 0.819 558 L CB 2.875 44.934 42.059 -0.001 0.000 1.339 558 L HN 0.459 nan 8.230 nan 0.000 0.420 559 P HA 0.354 nan 4.420 nan 0.000 0.279 559 P C -0.316 176.981 177.300 -0.004 0.000 1.282 559 P CA -0.549 62.470 63.100 -0.136 0.000 0.788 559 P CB 0.393 31.878 31.700 -0.358 0.000 1.139 560 M N -2.645 117.014 119.600 0.099 0.000 2.393 560 M HA -0.280 4.200 4.480 -0.000 0.000 0.201 560 M C 0.246 176.705 176.300 0.264 0.000 0.403 560 M CA 0.787 56.135 55.300 0.081 0.000 0.471 560 M CB -2.205 30.365 32.600 -0.050 0.000 1.669 560 M HN 0.491 nan 8.290 nan 0.000 0.864 561 A N -0.238 122.779 122.820 0.329 0.000 2.751 561 A HA 0.305 4.625 4.320 -0.000 0.000 0.201 561 A C 1.062 178.870 177.584 0.373 0.000 1.619 561 A CA 0.219 52.449 52.037 0.320 0.000 1.607 561 A CB 0.041 19.128 19.000 0.145 0.000 1.580 561 A HN 0.451 nan 8.150 nan 0.000 0.499 562 Q N -0.232 119.685 119.800 0.196 0.000 2.439 562 Q HA -0.111 4.229 4.340 -0.000 0.000 0.211 562 Q C 1.913 177.945 176.000 0.053 0.000 0.978 562 Q CA 1.270 57.154 55.803 0.135 0.000 0.897 562 Q CB -0.098 28.678 28.738 0.064 0.000 0.956 562 Q HN 0.543 nan 8.270 nan 0.000 0.483 563 R N -0.558 119.933 120.500 -0.014 0.000 2.193 563 R HA -0.098 4.242 4.340 -0.000 0.000 0.213 563 R C 0.730 176.776 176.300 -0.422 0.000 1.055 563 R CA 0.964 56.900 56.100 -0.272 0.000 0.995 563 R CB 0.291 30.315 30.300 -0.459 0.000 0.893 563 R HN 0.270 nan 8.270 nan 0.000 0.459 564 Y N -1.818 118.427 120.300 -0.092 0.000 2.535 564 Y HA 0.264 4.814 4.550 -0.000 0.000 0.266 564 Y C -0.073 175.570 175.900 -0.428 0.000 1.088 564 Y CA -0.452 57.487 58.100 -0.268 0.000 1.285 564 Y CB 0.509 38.694 38.460 -0.459 0.000 1.166 564 Y HN -0.165 nan 8.280 nan 0.000 0.525 565 F N -0.034 120.033 119.950 0.194 0.000 2.421 565 F HA 0.272 4.799 4.527 -0.000 0.000 0.337 565 F C 0.827 176.649 175.800 0.037 0.000 1.105 565 F CA -0.842 57.237 58.000 0.132 0.000 1.049 565 F CB 1.389 40.468 39.000 0.132 0.000 1.139 565 F HN -0.205 nan 8.300 nan 0.000 0.479 566 L N 2.196 123.529 121.223 0.183 0.000 2.217 566 L HA 0.170 4.510 4.340 -0.000 0.000 0.211 566 L C -0.499 176.159 176.870 -0.354 0.000 1.107 566 L CA 1.727 56.506 54.840 -0.102 0.000 0.783 566 L CB -0.409 41.593 42.059 -0.095 0.000 0.919 566 L HN 0.458 nan 8.230 nan 0.000 0.442 567 F N 0.000 120.041 119.950 0.152 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.051 58.000 0.085 0.000 1.383 567 F CB 0.000 39.030 39.000 0.050 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574