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 1a5m_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 GVIGLAIHED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMVCHH 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 0.000 174.617 174.600 0.028 0.000 1.055 2 S CA 0.000 58.220 58.200 0.033 0.000 1.107 2 S CB 0.000 63.222 63.200 0.037 0.000 0.593 3 N N 0.033 118.750 118.700 0.028 0.000 2.329 3 N HA 0.750 5.490 4.740 -0.000 0.000 0.282 3 N C -1.924 173.606 175.510 0.034 0.000 1.198 3 N CA -0.326 52.733 53.050 0.015 0.000 0.790 3 N CB 2.634 41.123 38.487 0.004 0.000 1.579 3 N HN 0.721 nan 8.380 nan 0.000 0.475 4 I N 0.625 121.213 120.570 0.030 0.000 2.752 4 I HA 0.248 4.418 4.170 -0.000 0.000 0.295 4 I C -0.193 175.950 176.117 0.044 0.000 1.219 4 I CA -0.449 60.893 61.300 0.070 0.000 1.030 4 I CB 1.937 40.035 38.000 0.163 0.000 1.259 4 I HN 0.620 nan 8.210 nan 0.000 0.423 5 S N 5.971 121.704 115.700 0.055 0.000 2.585 5 S HA 0.357 4.827 4.470 -0.000 0.000 0.273 5 S C 1.015 175.655 174.600 0.068 0.000 1.339 5 S CA -0.472 57.750 58.200 0.037 0.000 1.028 5 S CB 1.559 64.779 63.200 0.034 0.000 0.906 5 S HN 0.798 nan 8.310 nan 0.000 0.528 6 R N 0.449 120.966 120.500 0.029 0.000 2.105 6 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 6 R C 2.391 178.769 176.300 0.129 0.000 1.135 6 R CA 1.755 57.886 56.100 0.052 0.000 0.967 6 R CB -0.450 29.850 30.300 -0.001 0.000 0.861 6 R HN 0.796 nan 8.270 nan 0.000 0.442 7 Q N 0.718 120.571 119.800 0.089 0.000 2.046 7 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 7 Q C 1.917 177.971 176.000 0.091 0.000 0.975 7 Q CA 2.130 57.983 55.803 0.083 0.000 0.836 7 Q CB -0.331 28.438 28.738 0.052 0.000 0.896 7 Q HN 0.298 nan 8.270 nan 0.000 0.428 8 A N -0.669 122.204 122.820 0.087 0.000 1.933 8 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 8 A C 2.054 179.693 177.584 0.092 0.000 1.175 8 A CA 1.514 53.591 52.037 0.066 0.000 0.628 8 A CB -1.074 17.964 19.000 0.064 0.000 0.814 8 A HN 0.629 nan 8.150 nan 0.000 0.444 9 Y N 0.505 120.849 120.300 0.072 0.000 2.145 9 Y HA -0.088 4.462 4.550 -0.000 0.000 0.286 9 Y C 2.659 178.661 175.900 0.171 0.000 1.145 9 Y CA 1.405 59.609 58.100 0.174 0.000 1.148 9 Y CB -0.453 38.085 38.460 0.130 0.000 0.981 9 Y HN 0.306 nan 8.280 nan 0.000 0.507 10 A N -0.032 122.940 122.820 0.254 0.000 1.933 10 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 10 A C 1.800 179.398 177.584 0.024 0.000 1.175 10 A CA 2.010 54.146 52.037 0.165 0.000 0.628 10 A CB -0.778 18.320 19.000 0.164 0.000 0.814 10 A HN 0.535 nan 8.150 nan 0.000 0.444 11 D N -1.091 119.300 120.400 -0.015 0.000 2.219 11 D HA -0.059 4.581 4.640 -0.000 0.000 0.205 11 D C 1.877 178.070 176.300 -0.177 0.000 0.970 11 D CA 1.034 54.994 54.000 -0.066 0.000 0.851 11 D CB -0.161 40.610 40.800 -0.048 0.000 0.943 11 D HN 0.486 nan 8.370 nan 0.000 0.488 12 M N -1.406 117.994 119.600 -0.334 0.000 2.412 12 M HA 0.062 4.542 4.480 -0.000 0.000 0.263 12 M C 0.580 176.363 176.300 -0.862 0.000 1.122 12 M CA 0.902 55.781 55.300 -0.701 0.000 1.179 12 M CB 0.405 32.352 32.600 -1.088 0.000 1.335 12 M HN -0.089 nan 8.290 nan 0.000 0.465 13 F N -0.179 119.600 119.950 -0.285 0.000 2.706 13 F HA 0.483 5.010 4.527 -0.000 0.000 0.313 13 F C 0.952 176.696 175.800 -0.093 0.000 1.096 13 F CA 0.057 57.918 58.000 -0.232 0.000 1.219 13 F CB 0.092 38.839 39.000 -0.422 0.000 1.051 13 F HN 0.216 nan 8.300 nan 0.000 0.568 14 G N 1.403 110.242 108.800 0.064 0.000 2.712 14 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.683 14 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.683 14 G C -3.011 172.007 174.900 0.197 0.000 1.320 14 G CA -1.328 43.843 45.100 0.118 0.000 0.847 14 G HN -0.050 nan 8.290 nan 0.000 0.553 15 P HA 0.418 nan 4.420 nan 0.000 0.272 15 P C 0.086 177.535 177.300 0.248 0.000 1.223 15 P CA 0.453 63.675 63.100 0.203 0.000 0.784 15 P CB 1.635 33.416 31.700 0.135 0.000 0.923 16 T N 0.131 114.832 114.554 0.244 0.000 2.807 16 T HA 0.297 4.647 4.350 -0.000 0.000 0.277 16 T C -0.381 174.404 174.700 0.143 0.000 1.006 16 T CA -0.788 61.449 62.100 0.230 0.000 1.006 16 T CB 0.641 69.663 68.868 0.256 0.000 1.274 16 T HN 0.107 nan 8.240 nan 0.000 0.569 17 V N 2.231 122.226 119.914 0.135 0.000 2.625 17 V HA 0.330 4.450 4.120 -0.000 0.000 0.305 17 V C 1.876 178.010 176.094 0.067 0.000 1.055 17 V CA 1.612 63.969 62.300 0.094 0.000 1.209 17 V CB -0.220 31.659 31.823 0.094 0.000 0.877 17 V HN 1.324 nan 8.190 nan 0.000 0.489 18 G N 3.664 112.498 108.800 0.057 0.000 2.284 18 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.230 18 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.230 18 G C -0.044 174.882 174.900 0.044 0.000 1.021 18 G CA 0.032 45.156 45.100 0.040 0.000 0.619 18 G HN 0.673 nan 8.290 nan 0.000 0.510 19 D N 1.618 122.056 120.400 0.064 0.000 2.372 19 D HA 0.534 5.174 4.640 -0.000 0.000 0.243 19 D C 0.600 176.955 176.300 0.093 0.000 1.121 19 D CA 0.425 54.472 54.000 0.079 0.000 0.898 19 D CB 1.030 41.891 40.800 0.101 0.000 1.202 19 D HN 0.439 nan 8.370 nan 0.000 0.428 20 K N 0.250 120.725 120.400 0.125 0.000 2.208 20 K HA 0.692 5.012 4.320 -0.000 0.000 0.247 20 K C -0.942 175.824 176.600 0.277 0.000 0.953 20 K CA -0.981 55.428 56.287 0.203 0.000 0.837 20 K CB 2.207 34.840 32.500 0.220 0.000 1.131 20 K HN 0.082 nan 8.250 nan 0.000 0.431 21 V N 1.636 121.688 119.914 0.229 0.000 2.686 21 V HA 0.351 4.471 4.120 -0.000 0.000 0.306 21 V C -0.607 175.331 176.094 -0.259 0.000 1.065 21 V CA -0.980 61.334 62.300 0.023 0.000 0.894 21 V CB 1.750 33.538 31.823 -0.057 0.000 1.004 21 V HN 0.697 nan 8.190 nan 0.000 0.424 22 R N 4.086 124.175 120.500 -0.685 0.000 2.340 22 R HA 0.488 4.828 4.340 -0.000 0.000 0.300 22 R C -0.873 175.050 176.300 -0.627 0.000 1.069 22 R CA -0.487 54.949 56.100 -1.106 0.000 0.984 22 R CB 0.559 30.053 30.300 -1.344 0.000 1.003 22 R HN 0.717 nan 8.270 nan 0.000 0.459 23 L N 6.399 127.263 121.223 -0.598 0.000 2.342 23 L HA 0.233 4.573 4.340 -0.000 0.000 0.285 23 L C 1.162 177.823 176.870 -0.349 0.000 1.095 23 L CA 0.298 54.821 54.840 -0.530 0.000 0.843 23 L CB 0.488 42.142 42.059 -0.675 0.000 1.201 23 L HN 1.135 nan 8.230 nan 0.000 0.445 24 A N 4.208 126.881 122.820 -0.244 0.000 5.483 24 A HA -0.319 4.001 4.320 -0.000 0.000 0.309 24 A C 0.795 178.284 177.584 -0.157 0.000 1.898 24 A CA 1.506 53.443 52.037 -0.166 0.000 0.716 24 A CB -1.073 17.816 19.000 -0.185 0.000 1.309 24 A HN 0.956 nan 8.150 nan 0.000 0.380 25 D N 0.013 120.367 120.400 -0.076 0.000 2.615 25 D HA 0.358 4.998 4.640 -0.000 0.000 0.236 25 D C 0.623 176.848 176.300 -0.125 0.000 1.233 25 D CA 1.007 54.956 54.000 -0.087 0.000 0.829 25 D CB -0.953 39.835 40.800 -0.019 0.000 1.024 25 D HN 1.094 nan 8.370 nan 0.000 0.490 26 T N -2.830 111.628 114.554 -0.160 0.000 2.880 26 T HA 0.289 4.639 4.350 -0.000 0.000 0.279 26 T C 0.768 175.476 174.700 0.014 0.000 0.990 26 T CA -0.508 61.530 62.100 -0.103 0.000 0.938 26 T CB 1.682 70.518 68.868 -0.052 0.000 1.206 26 T HN -0.214 nan 8.240 nan 0.000 0.573 27 E N 0.006 120.375 120.200 0.282 0.000 2.463 27 E HA 0.277 4.627 4.350 -0.000 0.000 0.193 27 E C -0.023 176.671 176.600 0.157 0.000 1.041 27 E CA -0.095 56.426 56.400 0.201 0.000 0.879 27 E CB -0.150 29.660 29.700 0.185 0.000 0.997 27 E HN 0.541 nan 8.360 nan 0.000 0.478 28 L N 0.562 121.791 121.223 0.011 0.000 2.331 28 L HA 0.257 4.597 4.340 -0.000 0.000 0.278 28 L C -0.437 176.338 176.870 -0.158 0.000 1.106 28 L CA -0.306 54.530 54.840 -0.007 0.000 0.824 28 L CB 0.477 42.498 42.059 -0.063 0.000 1.142 28 L HN -0.079 nan 8.230 nan 0.000 0.443 29 W N 4.669 125.922 121.300 -0.079 0.000 2.683 29 W HA 0.592 5.252 4.660 -0.000 0.000 0.329 29 W C -0.221 176.239 176.519 -0.099 0.000 1.037 29 W CA -0.472 56.819 57.345 -0.091 0.000 1.232 29 W CB 1.505 30.934 29.460 -0.052 0.000 1.390 29 W HN 0.243 nan 8.180 nan 0.000 0.465 30 I N -0.272 120.339 120.570 0.068 0.000 2.607 30 I HA 0.674 4.844 4.170 -0.000 0.000 0.305 30 I C -0.429 175.726 176.117 0.065 0.000 0.995 30 I CA -1.002 60.301 61.300 0.005 0.000 1.148 30 I CB 2.109 40.030 38.000 -0.131 0.000 1.323 30 I HN 0.416 nan 8.210 nan 0.000 0.461 31 E N 4.104 124.332 120.200 0.048 0.000 2.210 31 E HA 0.424 4.774 4.350 -0.000 0.000 0.266 31 E C -1.375 175.248 176.600 0.039 0.000 0.883 31 E CA -0.924 55.510 56.400 0.056 0.000 0.761 31 E CB 2.396 32.127 29.700 0.052 0.000 1.156 31 E HN 0.614 nan 8.360 nan 0.000 0.412 32 V N 5.118 125.062 119.914 0.049 0.000 2.450 32 V HA -0.036 4.084 4.120 -0.000 0.000 0.281 32 V C 0.958 177.084 176.094 0.054 0.000 1.019 32 V CA 0.636 62.967 62.300 0.052 0.000 1.062 32 V CB 0.594 32.463 31.823 0.077 0.000 0.979 32 V HN 0.831 nan 8.190 nan 0.000 0.477 33 E N 2.412 122.642 120.200 0.049 0.000 2.170 33 E HA 0.029 4.379 4.350 -0.000 0.000 0.191 33 E C 0.189 176.829 176.600 0.067 0.000 0.981 33 E CA 0.551 56.985 56.400 0.057 0.000 0.830 33 E CB 0.346 30.082 29.700 0.060 0.000 0.775 33 E HN 0.759 nan 8.360 nan 0.000 0.470 34 D N -0.690 119.755 120.400 0.074 0.000 2.654 34 D HA 0.176 4.816 4.640 -0.000 0.000 0.231 34 D C -2.028 174.317 176.300 0.076 0.000 1.239 34 D CA -0.582 53.462 54.000 0.074 0.000 0.790 34 D CB 1.917 42.769 40.800 0.085 0.000 1.480 34 D HN -0.212 nan 8.370 nan 0.000 0.442 35 D N 2.266 122.697 120.400 0.051 0.000 2.696 35 D HA 0.243 4.883 4.640 -0.000 0.000 0.251 35 D C 0.124 176.411 176.300 -0.022 0.000 1.188 35 D CA -0.417 53.605 54.000 0.037 0.000 0.876 35 D CB 1.631 42.461 40.800 0.049 0.000 1.334 35 D HN 0.143 nan 8.370 nan 0.000 0.540 36 L N 2.438 123.664 121.223 0.003 0.000 2.591 36 L HA 0.155 4.495 4.340 -0.000 0.000 0.228 36 L C 1.403 178.237 176.870 -0.059 0.000 1.133 36 L CA 0.476 55.307 54.840 -0.016 0.000 0.880 36 L CB -0.518 41.559 42.059 0.030 0.000 1.033 36 L HN 0.367 nan 8.230 nan 0.000 0.450 37 T N -1.054 113.437 114.554 -0.106 0.000 2.847 37 T HA 0.284 4.634 4.350 -0.000 0.000 0.279 37 T C 0.181 174.720 174.700 -0.268 0.000 0.984 37 T CA -0.204 61.814 62.100 -0.138 0.000 0.988 37 T CB 0.691 69.505 68.868 -0.090 0.000 1.040 37 T HN 0.071 nan 8.240 nan 0.000 0.528 38 T N 3.652 118.090 114.554 -0.193 0.000 2.821 38 T HA 0.341 4.691 4.350 -0.000 0.000 0.307 38 T C -1.027 173.605 174.700 -0.115 0.000 1.034 38 T CA -0.268 61.723 62.100 -0.182 0.000 0.953 38 T CB -0.239 68.583 68.868 -0.077 0.000 0.968 38 T HN 0.459 nan 8.240 nan 0.000 0.462 39 Y N 2.181 122.461 120.300 -0.033 0.000 2.852 39 Y HA 0.260 4.810 4.550 -0.000 0.000 0.343 39 Y C 1.679 177.560 175.900 -0.031 0.000 1.280 39 Y CA 1.225 59.299 58.100 -0.043 0.000 1.604 39 Y CB -0.465 37.950 38.460 -0.077 0.000 1.216 39 Y HN 1.001 nan 8.280 nan 0.000 0.541 40 G N 2.204 111.080 108.800 0.126 0.000 2.238 40 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 40 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 40 G C 0.717 175.627 174.900 0.017 0.000 0.996 40 G CA -0.026 45.111 45.100 0.062 0.000 0.632 40 G HN 0.486 nan 8.290 nan 0.000 0.503 41 E N 1.112 121.311 120.200 -0.002 0.000 2.499 41 E HA 0.240 4.589 4.350 -0.000 0.000 0.199 41 E C 0.189 176.775 176.600 -0.024 0.000 1.016 41 E CA -0.012 56.385 56.400 -0.005 0.000 0.933 41 E CB 0.477 30.177 29.700 0.001 0.000 1.050 41 E HN 0.670 nan 8.360 nan 0.000 0.462 42 E N 0.825 120.969 120.200 -0.094 0.000 2.413 42 E HA 0.060 4.410 4.350 -0.000 0.000 0.263 42 E C 0.172 176.789 176.600 0.029 0.000 1.015 42 E CA -0.111 56.232 56.400 -0.096 0.000 0.916 42 E CB 0.854 30.320 29.700 -0.390 0.000 0.947 42 E HN -0.079 nan 8.360 nan 0.000 0.440 43 V N 0.277 120.238 119.914 0.079 0.000 2.509 43 V HA 0.517 4.637 4.120 -0.000 0.000 0.284 43 V C 0.010 176.209 176.094 0.174 0.000 1.047 43 V CA -0.614 61.756 62.300 0.117 0.000 0.952 43 V CB 1.102 32.983 31.823 0.097 0.000 0.988 43 V HN 0.515 nan 8.190 nan 0.000 0.469 44 K N 3.311 123.823 120.400 0.186 0.000 2.464 44 K HA 0.596 4.916 4.320 -0.000 0.000 0.253 44 K C -1.897 174.818 176.600 0.190 0.000 0.933 44 K CA -0.682 55.721 56.287 0.193 0.000 0.801 44 K CB 2.609 35.221 32.500 0.188 0.000 1.271 44 K HN 0.730 nan 8.250 nan 0.000 0.430 45 F N 1.372 121.347 119.950 0.041 0.000 2.492 45 F HA 0.748 5.275 4.527 -0.000 0.000 0.327 45 F C 0.101 175.907 175.800 0.011 0.000 1.079 45 F CA 0.313 58.327 58.000 0.024 0.000 0.967 45 F CB 1.887 40.898 39.000 0.019 0.000 1.169 45 F HN 0.665 nan 8.300 nan 0.000 0.472 46 G N 2.092 110.186 108.800 -1.177 0.000 2.368 46 G HA2 0.362 4.322 3.960 -0.000 0.000 0.302 46 G HA3 0.362 4.322 3.960 -0.000 0.000 0.302 46 G C -0.851 173.706 174.900 -0.570 0.000 1.329 46 G CA -0.487 44.113 45.100 -0.833 0.000 0.935 46 G HN 1.071 nan 8.290 nan 0.000 0.590 47 G N -0.734 107.859 108.800 -0.346 0.000 2.335 47 G HA2 0.559 4.519 3.960 -0.000 0.000 0.268 47 G HA3 0.559 4.519 3.960 -0.000 0.000 0.268 47 G C 1.401 176.210 174.900 -0.152 0.000 1.228 47 G CA 1.708 46.681 45.100 -0.212 0.000 0.968 47 G HN 2.437 nan 8.290 nan 0.000 0.459 48 G N 1.591 110.319 108.800 -0.120 0.000 2.160 48 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.251 48 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.251 48 G C 0.750 175.613 174.900 -0.062 0.000 1.008 48 G CA 0.707 45.764 45.100 -0.072 0.000 0.724 48 G HN 0.710 nan 8.290 nan 0.000 0.514 49 K N -0.836 119.511 120.400 -0.089 0.000 2.836 49 K HA 0.647 4.966 4.320 -0.000 0.000 0.300 49 K C 1.908 178.513 176.600 0.009 0.000 1.004 49 K CA 0.038 56.299 56.287 -0.044 0.000 1.140 49 K CB -0.352 32.102 32.500 -0.077 0.000 1.458 49 K HN 0.091 nan 8.250 nan 0.000 0.550 50 V N 0.803 120.749 119.914 0.053 0.000 2.446 50 V HA -0.010 4.110 4.120 -0.000 0.000 0.244 50 V C 1.392 177.538 176.094 0.087 0.000 1.039 50 V CA 0.924 63.268 62.300 0.074 0.000 1.045 50 V CB -0.251 31.630 31.823 0.097 0.000 0.681 50 V HN 0.428 nan 8.190 nan 0.000 0.459 51 I N 2.543 123.194 120.570 0.134 0.000 2.501 51 I HA 0.126 4.296 4.170 -0.000 0.000 0.305 51 I C 0.350 176.566 176.117 0.164 0.000 1.197 51 I CA 0.718 62.119 61.300 0.168 0.000 1.793 51 I CB -0.775 37.376 38.000 0.252 0.000 1.521 51 I HN 0.240 nan 8.210 nan 0.000 0.843 52 R N 2.339 122.897 120.500 0.097 0.000 2.740 52 R HA 0.259 4.599 4.340 -0.000 0.000 0.273 52 R C -0.812 175.519 176.300 0.052 0.000 0.998 52 R CA -1.204 54.941 56.100 0.075 0.000 0.900 52 R CB 1.769 32.097 30.300 0.046 0.000 1.223 52 R HN 0.219 nan 8.270 nan 0.000 0.466 53 D N 0.524 120.950 120.400 0.043 0.000 2.752 53 D HA -0.023 4.617 4.640 -0.000 0.000 0.225 53 D C 1.243 177.558 176.300 0.024 0.000 1.104 53 D CA 2.670 56.687 54.000 0.029 0.000 0.832 53 D CB 0.379 41.192 40.800 0.023 0.000 1.161 53 D HN 0.698 nan 8.370 nan 0.000 0.505 54 G N 2.687 111.500 108.800 0.021 0.000 2.284 54 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.261 54 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.261 54 G C 0.866 175.780 174.900 0.022 0.000 0.997 54 G CA 0.987 46.098 45.100 0.019 0.000 0.621 54 G HN 0.525 nan 8.290 nan 0.000 0.534 55 M N -0.684 118.933 119.600 0.028 0.000 2.094 55 M HA 0.444 4.924 4.480 -0.000 0.000 0.163 55 M C 2.424 178.746 176.300 0.037 0.000 1.495 55 M CA 1.077 56.396 55.300 0.032 0.000 1.481 55 M CB -0.254 32.367 32.600 0.035 0.000 0.856 55 M HN 0.138 nan 8.290 nan 0.000 0.650 56 G N 0.164 108.993 108.800 0.048 0.000 3.026 56 G HA2 0.006 3.966 3.960 -0.000 0.000 0.208 56 G HA3 0.006 3.966 3.960 -0.000 0.000 0.208 56 G C 0.173 175.102 174.900 0.047 0.000 1.169 56 G CA 0.069 45.201 45.100 0.052 0.000 0.788 56 G HN 0.454 nan 8.290 nan 0.000 0.533 57 Q N -0.090 119.734 119.800 0.041 0.000 2.337 57 Q HA 0.569 4.909 4.340 -0.000 0.000 0.270 57 Q C 0.096 176.107 176.000 0.019 0.000 1.043 57 Q CA -0.740 55.081 55.803 0.030 0.000 0.794 57 Q CB 1.794 30.555 28.738 0.037 0.000 1.281 57 Q HN 0.133 nan 8.270 nan 0.000 0.446 58 G N 1.148 109.954 108.800 0.010 0.000 2.568 58 G HA2 0.154 4.114 3.960 -0.000 0.000 0.293 58 G HA3 0.154 4.114 3.960 -0.000 0.000 0.293 58 G C 0.040 174.941 174.900 0.002 0.000 1.347 58 G CA -0.200 44.904 45.100 0.006 0.000 1.039 58 G HN 0.663 nan 8.290 nan 0.000 0.523 59 Q N -0.167 119.633 119.800 0.001 0.000 2.247 59 Q HA 0.095 4.435 4.340 -0.000 0.000 0.204 59 Q C 1.125 177.122 176.000 -0.006 0.000 0.872 59 Q CA -0.298 55.504 55.803 -0.002 0.000 0.951 59 Q CB 0.191 28.930 28.738 0.001 0.000 1.099 59 Q HN 0.656 nan 8.270 nan 0.000 0.501 60 M N -0.379 119.215 119.600 -0.010 0.000 2.245 60 M HA 0.218 4.698 4.480 -0.000 0.000 0.330 60 M C -0.012 176.276 176.300 -0.021 0.000 1.098 60 M CA 0.097 55.389 55.300 -0.014 0.000 1.172 60 M CB 0.193 32.783 32.600 -0.017 0.000 1.467 60 M HN -0.091 nan 8.290 nan 0.000 0.454 61 L N 2.206 123.417 121.223 -0.020 0.000 2.475 61 L HA 0.273 4.613 4.340 -0.000 0.000 0.253 61 L C 1.920 178.769 176.870 -0.035 0.000 1.198 61 L CA -0.175 54.651 54.840 -0.023 0.000 0.814 61 L CB 0.291 42.340 42.059 -0.017 0.000 1.134 61 L HN 1.017 nan 8.230 nan 0.000 0.478 62 A N 1.483 124.280 122.820 -0.038 0.000 1.927 62 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 62 A C 2.265 179.814 177.584 -0.059 0.000 1.185 62 A CA 2.158 54.165 52.037 -0.051 0.000 0.639 62 A CB -0.851 18.123 19.000 -0.044 0.000 0.820 62 A HN 0.914 nan 8.150 nan 0.000 0.451 63 A N -0.814 121.982 122.820 -0.040 0.000 2.070 63 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 63 A C 1.381 178.939 177.584 -0.044 0.000 1.159 63 A CA 1.611 53.628 52.037 -0.033 0.000 0.656 63 A CB -0.281 18.712 19.000 -0.011 0.000 0.800 63 A HN 0.487 nan 8.150 nan 0.000 0.453 64 D N -0.972 119.399 120.400 -0.048 0.000 2.368 64 D HA 0.189 4.829 4.640 -0.000 0.000 0.218 64 D C 0.296 176.540 176.300 -0.093 0.000 1.112 64 D CA 0.623 54.595 54.000 -0.047 0.000 0.834 64 D CB -0.061 40.728 40.800 -0.018 0.000 0.953 64 D HN 0.615 nan 8.370 nan 0.000 0.505 65 C N -1.240 117.972 119.300 -0.147 0.000 3.171 65 C HA 0.760 5.220 4.460 -0.000 0.000 0.308 65 C C 0.321 175.139 174.990 -0.287 0.000 1.334 65 C CA -1.197 57.704 59.018 -0.194 0.000 1.473 65 C CB 1.108 28.780 27.740 -0.114 0.000 1.866 65 C HN 0.007 nan 8.230 nan 0.000 0.465 66 V N -0.025 119.694 119.914 -0.325 0.000 2.953 66 V HA 0.428 4.548 4.120 -0.000 0.000 0.304 66 V C 0.501 176.494 176.094 -0.169 0.000 1.073 66 V CA 0.448 62.555 62.300 -0.320 0.000 1.064 66 V CB 0.690 32.344 31.823 -0.281 0.000 1.047 66 V HN 0.910 nan 8.190 nan 0.000 0.478 67 D N 0.669 120.994 120.400 -0.126 0.000 2.213 67 D HA 0.182 4.821 4.640 -0.000 0.000 0.205 67 D C 0.200 176.458 176.300 -0.070 0.000 0.961 67 D CA 1.135 55.084 54.000 -0.084 0.000 0.853 67 D CB 0.573 41.339 40.800 -0.057 0.000 0.967 67 D HN 0.487 nan 8.370 nan 0.000 0.496 68 L N 0.236 121.426 121.223 -0.054 0.000 2.455 68 L HA 0.494 4.834 4.340 -0.000 0.000 0.264 68 L C -1.656 175.204 176.870 -0.017 0.000 0.968 68 L CA -0.884 53.933 54.840 -0.038 0.000 0.827 68 L CB 2.559 44.608 42.059 -0.016 0.000 1.317 68 L HN -0.270 nan 8.230 nan 0.000 0.407 69 V N 5.805 125.708 119.914 -0.018 0.000 2.638 69 V HA 0.615 4.735 4.120 -0.000 0.000 0.306 69 V C -1.392 174.716 176.094 0.023 0.000 1.052 69 V CA -0.468 61.839 62.300 0.013 0.000 0.885 69 V CB 1.994 33.823 31.823 0.010 0.000 0.999 69 V HN 0.712 nan 8.190 nan 0.000 0.424 70 L N 6.591 127.846 121.223 0.052 0.000 2.264 70 L HA 0.499 4.839 4.340 -0.000 0.000 0.287 70 L C 0.705 177.623 176.870 0.080 0.000 1.039 70 L CA 0.080 54.957 54.840 0.062 0.000 0.829 70 L CB 1.561 43.666 42.059 0.076 0.000 1.211 70 L HN 0.849 nan 8.230 nan 0.000 0.427 71 T N -0.273 114.329 114.554 0.081 0.000 2.884 71 T HA 0.229 4.579 4.350 -0.000 0.000 0.298 71 T C 0.625 175.395 174.700 0.118 0.000 0.998 71 T CA -0.677 61.484 62.100 0.102 0.000 1.124 71 T CB 0.394 69.331 68.868 0.114 0.000 0.931 71 T HN 0.592 nan 8.240 nan 0.000 0.531 72 N N 0.069 118.846 118.700 0.128 0.000 2.714 72 N HA -0.159 4.581 4.740 -0.000 0.000 0.252 72 N C 0.015 175.606 175.510 0.135 0.000 1.014 72 N CA 0.855 53.992 53.050 0.145 0.000 0.735 72 N CB -1.649 36.949 38.487 0.185 0.000 0.924 72 N HN 1.114 nan 8.380 nan 0.000 0.540 73 A N 0.068 122.964 122.820 0.126 0.000 2.316 73 A HA 0.587 4.907 4.320 -0.000 0.000 0.284 73 A C 0.405 178.062 177.584 0.121 0.000 1.115 73 A CA -0.542 51.570 52.037 0.125 0.000 0.812 73 A CB 0.837 19.913 19.000 0.126 0.000 1.064 73 A HN 0.306 nan 8.150 nan 0.000 0.489 74 L N 3.736 125.027 121.223 0.113 0.000 2.283 74 L HA 0.461 4.801 4.340 -0.000 0.000 0.281 74 L C -0.529 176.382 176.870 0.068 0.000 1.033 74 L CA -0.198 54.693 54.840 0.084 0.000 0.848 74 L CB -0.084 42.016 42.059 0.067 0.000 1.226 74 L HN 0.556 nan 8.230 nan 0.000 0.429 75 I N 5.209 125.807 120.570 0.047 0.000 2.496 75 I HA 0.209 4.379 4.170 -0.000 0.000 0.285 75 I C -0.348 175.696 176.117 -0.122 0.000 1.080 75 I CA -0.362 60.938 61.300 -0.002 0.000 1.404 75 I CB 1.057 39.059 38.000 0.004 0.000 1.403 75 I HN 0.238 nan 8.210 nan 0.000 0.539 76 V N 5.760 125.616 119.914 -0.097 0.000 2.357 76 V HA 0.396 4.516 4.120 -0.000 0.000 0.281 76 V C -0.584 175.412 176.094 -0.163 0.000 1.015 76 V CA -0.344 61.870 62.300 -0.144 0.000 0.827 76 V CB 1.427 33.203 31.823 -0.079 0.000 1.018 76 V HN 0.687 nan 8.190 nan 0.000 0.432 77 D N 0.825 120.977 120.400 -0.413 0.000 2.610 77 D HA 0.318 4.958 4.640 -0.000 0.000 0.271 77 D C 0.900 176.944 176.300 -0.427 0.000 1.174 77 D CA -0.438 53.289 54.000 -0.455 0.000 0.949 77 D CB 1.603 41.905 40.800 -0.830 0.000 1.430 77 D HN 0.675 nan 8.370 nan 0.000 0.467 78 H N -0.156 118.827 119.070 -0.145 0.000 2.489 78 H HA -0.059 4.497 4.556 -0.000 0.000 0.295 78 H C 1.426 176.857 175.328 0.172 0.000 1.082 78 H CA 1.770 57.853 56.048 0.058 0.000 1.295 78 H CB -0.318 29.500 29.762 0.092 0.000 1.380 78 H HN 0.504 nan 8.280 nan 0.000 0.548 79 W N 0.377 121.505 121.300 -0.286 0.000 3.077 79 W HA 0.587 5.246 4.660 -0.000 0.000 0.266 79 W C -0.133 176.395 176.519 0.015 0.000 1.300 79 W CA 0.165 57.460 57.345 -0.084 0.000 1.586 79 W CB 0.179 29.503 29.460 -0.227 0.000 1.103 79 W HN 0.389 nan 8.180 nan 0.000 0.652 80 G N 0.929 109.469 108.800 -0.433 0.000 2.355 80 G HA2 0.404 4.364 3.960 -0.000 0.000 0.296 80 G HA3 0.404 4.364 3.960 -0.000 0.000 0.296 80 G C -2.006 172.616 174.900 -0.463 0.000 1.507 80 G CA -1.049 43.889 45.100 -0.270 0.000 0.823 80 G HN 0.050 nan 8.290 nan 0.000 0.569 81 I N 1.636 122.086 120.570 -0.201 0.000 2.502 81 I HA 0.434 4.604 4.170 -0.000 0.000 0.276 81 I C 0.112 176.191 176.117 -0.063 0.000 1.057 81 I CA -0.920 60.285 61.300 -0.159 0.000 1.163 81 I CB 1.246 39.189 38.000 -0.096 0.000 1.288 81 I HN 0.526 nan 8.210 nan 0.000 0.479 82 V N 2.088 121.970 119.914 -0.053 0.000 3.001 82 V HA 0.656 4.776 4.120 -0.000 0.000 0.314 82 V C -0.584 175.557 176.094 0.077 0.000 1.099 82 V CA -1.050 61.282 62.300 0.053 0.000 0.989 82 V CB 2.216 34.127 31.823 0.146 0.000 1.040 82 V HN 0.503 nan 8.190 nan 0.000 0.434 83 K N 1.917 122.377 120.400 0.099 0.000 2.183 83 K HA 0.904 5.224 4.320 -0.000 0.000 0.274 83 K C -0.414 176.257 176.600 0.117 0.000 1.009 83 K CA 0.709 57.065 56.287 0.115 0.000 0.888 83 K CB 0.944 33.525 32.500 0.135 0.000 1.078 83 K HN 1.698 nan 8.250 nan 0.000 0.459 84 A N 3.127 126.020 122.820 0.123 0.000 2.522 84 A HA 0.360 4.680 4.320 -0.000 0.000 0.291 84 A C -1.788 175.866 177.584 0.118 0.000 1.039 84 A CA -0.966 51.140 52.037 0.115 0.000 0.643 84 A CB 0.623 19.702 19.000 0.131 0.000 1.310 84 A HN 0.667 nan 8.150 nan 0.000 0.436 85 D N 0.458 120.922 120.400 0.106 0.000 2.225 85 D HA 0.603 5.243 4.640 -0.000 0.000 0.249 85 D C -0.495 175.875 176.300 0.117 0.000 1.052 85 D CA 0.320 54.383 54.000 0.105 0.000 0.909 85 D CB 1.381 42.236 40.800 0.090 0.000 1.186 85 D HN 0.446 nan 8.370 nan 0.000 0.431 86 I N 0.747 121.388 120.570 0.117 0.000 2.406 86 I HA 0.372 4.542 4.170 -0.000 0.000 0.290 86 I C 0.704 176.897 176.117 0.126 0.000 0.999 86 I CA -0.810 60.569 61.300 0.131 0.000 1.124 86 I CB 2.055 40.136 38.000 0.135 0.000 1.289 86 I HN 0.190 nan 8.210 nan 0.000 0.441 87 G N 5.300 114.200 108.800 0.166 0.000 2.356 87 G HA2 0.620 4.580 3.960 -0.000 0.000 0.322 87 G HA3 0.620 4.580 3.960 -0.000 0.000 0.322 87 G C -0.972 174.047 174.900 0.198 0.000 1.125 87 G CA -0.349 44.859 45.100 0.179 0.000 0.885 87 G HN 0.344 nan 8.290 nan 0.000 0.467 88 V N 1.933 121.915 119.914 0.114 0.000 2.531 88 V HA 0.616 4.736 4.120 -0.000 0.000 0.301 88 V C -0.166 175.958 176.094 0.049 0.000 1.034 88 V CA -0.826 61.541 62.300 0.111 0.000 0.865 88 V CB 1.808 33.678 31.823 0.078 0.000 0.995 88 V HN 0.830 nan 8.190 nan 0.000 0.424 89 K N 2.910 123.364 120.400 0.089 0.000 2.501 89 K HA 0.431 4.751 4.320 -0.000 0.000 0.252 89 K C -0.675 175.972 176.600 0.077 0.000 0.934 89 K CA -0.495 55.806 56.287 0.025 0.000 0.797 89 K CB 1.524 33.985 32.500 -0.066 0.000 1.270 89 K HN 0.672 nan 8.250 nan 0.000 0.431 90 D N 2.946 123.378 120.400 0.053 0.000 2.837 90 D HA -0.186 4.454 4.640 -0.000 0.000 0.230 90 D C 0.594 176.952 176.300 0.096 0.000 1.152 90 D CA 1.845 55.892 54.000 0.080 0.000 0.736 90 D CB -1.111 39.739 40.800 0.083 0.000 1.084 90 D HN 1.099 nan 8.370 nan 0.000 0.429 91 G N -0.519 108.335 108.800 0.090 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 0.375 175.326 174.900 0.084 0.000 0.975 91 G CA 0.786 45.941 45.100 0.091 0.000 0.642 91 G HN 0.540 nan 8.290 nan 0.000 0.536 92 R N -0.860 119.697 120.500 0.095 0.000 2.854 92 R HA 0.640 4.980 4.340 -0.000 0.000 0.271 92 R C 0.080 176.458 176.300 0.129 0.000 0.996 92 R CA -1.204 54.957 56.100 0.101 0.000 0.961 92 R CB 1.368 31.724 30.300 0.093 0.000 1.182 92 R HN 0.157 nan 8.270 nan 0.000 0.479 93 I N 2.522 123.163 120.570 0.119 0.000 2.581 93 I HA -0.086 4.084 4.170 -0.000 0.000 0.285 93 I C 0.993 177.196 176.117 0.143 0.000 1.129 93 I CA 0.332 61.711 61.300 0.132 0.000 1.397 93 I CB 0.174 38.239 38.000 0.107 0.000 1.399 93 I HN 0.603 nan 8.210 nan 0.000 0.537 94 F N 7.035 127.006 119.950 0.035 0.000 2.147 94 F HA 0.369 4.896 4.527 -0.000 0.000 0.291 94 F C 1.053 176.863 175.800 0.017 0.000 1.093 94 F CA 0.847 58.861 58.000 0.024 0.000 1.263 94 F CB 0.285 39.298 39.000 0.023 0.000 1.036 94 F HN 0.458 nan 8.300 nan 0.000 0.481 95 A N -0.327 122.543 122.820 0.082 0.000 2.601 95 A HA 0.611 4.931 4.320 -0.000 0.000 0.291 95 A C -1.618 176.012 177.584 0.075 0.000 1.075 95 A CA -0.589 51.426 52.037 -0.037 0.000 0.671 95 A CB 0.593 19.554 19.000 -0.064 0.000 1.277 95 A HN 0.112 nan 8.150 nan 0.000 0.417 96 I N 1.451 122.039 120.570 0.030 0.000 2.448 96 I HA 0.617 4.787 4.170 -0.000 0.000 0.281 96 I C 0.655 176.807 176.117 0.057 0.000 1.027 96 I CA 0.268 61.613 61.300 0.074 0.000 1.111 96 I CB 1.544 39.588 38.000 0.073 0.000 1.236 96 I HN 1.055 nan 8.210 nan 0.000 0.452 97 G N 5.331 114.178 108.800 0.079 0.000 2.818 97 G HA2 0.224 4.184 3.960 -0.000 0.000 0.109 97 G HA3 0.224 4.184 3.960 -0.000 0.000 0.109 97 G C -1.465 173.471 174.900 0.061 0.000 1.206 97 G CA -0.360 44.776 45.100 0.059 0.000 1.243 97 G HN 0.259 nan 8.290 nan 0.000 0.609 98 K N 1.192 121.622 120.400 0.050 0.000 2.425 98 K HA 0.707 5.027 4.320 -0.000 0.000 0.259 98 K C -0.272 176.360 176.600 0.053 0.000 0.978 98 K CA -0.287 56.025 56.287 0.041 0.000 0.883 98 K CB 1.114 33.623 32.500 0.016 0.000 1.110 98 K HN 0.735 nan 8.250 nan 0.000 0.436 99 A N 2.479 125.334 122.820 0.058 0.000 2.286 99 A HA 0.841 5.160 4.320 -0.000 0.000 0.286 99 A C 0.368 177.980 177.584 0.046 0.000 1.097 99 A CA 0.426 52.497 52.037 0.057 0.000 0.821 99 A CB 0.792 19.828 19.000 0.060 0.000 1.076 99 A HN 0.902 nan 8.150 nan 0.000 0.490 100 G N 0.059 108.883 108.800 0.039 0.000 2.356 100 G HA2 0.288 4.248 3.960 -0.000 0.000 0.266 100 G HA3 0.288 4.248 3.960 -0.000 0.000 0.266 100 G C -1.533 173.384 174.900 0.028 0.000 1.312 100 G CA -0.268 44.854 45.100 0.036 0.000 0.922 100 G HN 1.061 nan 8.290 nan 0.000 0.480 101 N N 0.876 119.593 118.700 0.027 0.000 2.479 101 N HA 0.600 5.340 4.740 -0.000 0.000 0.261 101 N C -1.711 173.811 175.510 0.021 0.000 0.979 101 N CA -2.307 50.756 53.050 0.022 0.000 0.930 101 N CB 2.431 40.932 38.487 0.023 0.000 1.172 101 N HN 0.020 nan 8.380 nan 0.000 0.499 102 P HA -0.038 nan 4.420 nan 0.000 0.223 102 P C 0.231 177.541 177.300 0.017 0.000 1.144 102 P CA 0.833 63.945 63.100 0.020 0.000 0.783 102 P CB 0.449 32.161 31.700 0.021 0.000 0.771 103 D N -0.795 119.615 120.400 0.016 0.000 2.178 103 D HA -0.081 4.559 4.640 -0.000 0.000 0.202 103 D C 1.664 177.973 176.300 0.015 0.000 0.974 103 D CA 1.181 55.189 54.000 0.014 0.000 0.841 103 D CB -0.081 40.727 40.800 0.013 0.000 0.953 103 D HN 0.355 nan 8.370 nan 0.000 0.478 104 I N -3.734 116.846 120.570 0.017 0.000 4.655 104 I HA 0.238 4.408 4.170 -0.000 0.000 0.333 104 I C -0.012 176.116 176.117 0.019 0.000 1.312 104 I CA -0.415 60.896 61.300 0.018 0.000 1.270 104 I CB 0.403 38.414 38.000 0.019 0.000 1.318 104 I HN -0.325 nan 8.210 nan 0.000 0.456 105 Q N 3.506 123.318 119.800 0.019 0.000 2.306 105 Q HA 0.562 4.902 4.340 -0.000 0.000 0.265 105 Q C -2.559 173.450 176.000 0.015 0.000 1.022 105 Q CA -2.002 53.812 55.803 0.018 0.000 0.853 105 Q CB 2.086 30.837 28.738 0.021 0.000 1.327 105 Q HN 0.101 nan 8.270 nan 0.000 0.449 106 P HA 0.168 nan 4.420 nan 0.000 0.282 106 P C -1.036 176.267 177.300 0.005 0.000 1.259 106 P CA -0.298 62.807 63.100 0.008 0.000 0.826 106 P CB 0.680 32.383 31.700 0.004 0.000 1.064 107 N N -1.831 116.872 118.700 0.005 0.000 2.693 107 N HA -0.135 4.605 4.740 -0.000 0.000 0.249 107 N C -0.359 175.159 175.510 0.013 0.000 1.119 107 N CA 0.253 53.306 53.050 0.004 0.000 0.717 107 N CB -1.838 36.644 38.487 -0.008 0.000 1.071 107 N HN 0.154 nan 8.380 nan 0.000 0.555 108 V N 0.932 120.859 119.914 0.021 0.000 2.446 108 V HA 0.103 4.223 4.120 -0.000 0.000 0.276 108 V C 1.736 177.858 176.094 0.048 0.000 1.030 108 V CA 1.023 63.343 62.300 0.033 0.000 1.033 108 V CB 1.043 32.886 31.823 0.033 0.000 0.993 108 V HN 0.513 nan 8.190 nan 0.000 0.477 109 T N 1.707 116.298 114.554 0.062 0.000 2.990 109 T HA 0.366 4.716 4.350 -0.000 0.000 0.250 109 T C 0.381 175.180 174.700 0.164 0.000 1.041 109 T CA 0.215 62.368 62.100 0.088 0.000 1.010 109 T CB 0.136 69.039 68.868 0.059 0.000 1.003 109 T HN 0.359 nan 8.240 nan 0.000 0.499 110 I N 3.999 124.653 120.570 0.139 0.000 2.502 110 I HA 0.354 4.524 4.170 -0.000 0.000 0.276 110 I C -2.671 173.483 176.117 0.061 0.000 1.057 110 I CA -2.724 58.670 61.300 0.155 0.000 1.163 110 I CB 1.855 39.945 38.000 0.149 0.000 1.288 110 I HN -0.046 nan 8.210 nan 0.000 0.479 111 P HA 0.214 nan 4.420 nan 0.000 0.271 111 P C -0.509 176.765 177.300 -0.042 0.000 1.220 111 P CA 0.191 63.285 63.100 -0.009 0.000 0.768 111 P CB 1.252 32.943 31.700 -0.016 0.000 0.848 112 I N 2.639 123.197 120.570 -0.020 0.000 2.377 112 I HA 0.556 4.726 4.170 -0.000 0.000 0.293 112 I C 1.060 177.162 176.117 -0.024 0.000 0.987 112 I CA -0.131 61.153 61.300 -0.026 0.000 1.185 112 I CB 1.846 39.846 38.000 -0.001 0.000 1.341 112 I HN 0.442 nan 8.210 nan 0.000 0.455 113 G N 2.823 111.600 108.800 -0.038 0.000 3.086 113 G HA2 0.534 4.494 3.960 -0.000 0.000 0.282 113 G HA3 0.534 4.494 3.960 -0.000 0.000 0.282 113 G C 0.494 175.375 174.900 -0.032 0.000 1.343 113 G CA 0.054 45.136 45.100 -0.030 0.000 0.895 113 G HN 0.600 nan 8.290 nan 0.000 0.557 114 A N -0.816 121.988 122.820 -0.027 0.000 2.024 114 A HA 0.261 4.581 4.320 -0.000 0.000 0.220 114 A C 2.268 179.827 177.584 -0.043 0.000 1.164 114 A CA 2.534 54.554 52.037 -0.027 0.000 0.643 114 A CB -0.554 18.433 19.000 -0.022 0.000 0.806 114 A HN 1.544 nan 8.150 nan 0.000 0.451 115 A N -0.785 122.004 122.820 -0.051 0.000 2.302 115 A HA 0.371 4.691 4.320 -0.000 0.000 0.219 115 A C 0.663 178.202 177.584 -0.075 0.000 1.243 115 A CA 0.451 52.451 52.037 -0.062 0.000 0.856 115 A CB -0.428 18.535 19.000 -0.062 0.000 0.893 115 A HN 0.255 nan 8.150 nan 0.000 0.491 116 T N 0.882 115.391 114.554 -0.076 0.000 2.749 116 T HA 0.428 4.778 4.350 -0.000 0.000 0.287 116 T C -0.343 174.291 174.700 -0.109 0.000 0.970 116 T CA -0.339 61.709 62.100 -0.087 0.000 0.980 116 T CB 1.501 70.323 68.868 -0.077 0.000 0.924 116 T HN 0.445 nan 8.240 nan 0.000 0.456 117 E N 2.489 122.621 120.200 -0.114 0.000 2.283 117 E HA 0.514 4.864 4.350 -0.000 0.000 0.271 117 E C -1.152 175.351 176.600 -0.163 0.000 1.031 117 E CA -0.621 55.689 56.400 -0.150 0.000 0.868 117 E CB 0.901 30.529 29.700 -0.120 0.000 1.094 117 E HN 0.320 nan 8.360 nan 0.000 0.401 118 V N 4.990 124.753 119.914 -0.252 0.000 2.604 118 V HA 0.455 4.575 4.120 -0.000 0.000 0.305 118 V C -0.220 175.773 176.094 -0.168 0.000 1.043 118 V CA -0.681 61.483 62.300 -0.226 0.000 0.888 118 V CB 1.567 33.177 31.823 -0.354 0.000 0.995 118 V HN 0.675 nan 8.190 nan 0.000 0.429 119 I N 3.551 124.080 120.570 -0.067 0.000 2.410 119 I HA 0.562 4.732 4.170 -0.000 0.000 0.286 119 I C 0.380 176.511 176.117 0.024 0.000 1.009 119 I CA -0.642 60.646 61.300 -0.020 0.000 1.111 119 I CB 1.835 39.833 38.000 -0.004 0.000 1.262 119 I HN 0.710 nan 8.210 nan 0.000 0.443 120 A N 5.067 127.916 122.820 0.049 0.000 2.350 120 A HA 0.582 4.902 4.320 -0.000 0.000 0.293 120 A C 0.774 178.400 177.584 0.070 0.000 1.231 120 A CA -0.069 52.016 52.037 0.080 0.000 0.883 120 A CB 0.336 19.398 19.000 0.103 0.000 1.133 120 A HN 0.886 nan 8.150 nan 0.000 0.533 121 A N 2.931 125.800 122.820 0.082 0.000 2.465 121 A HA 0.277 4.597 4.320 -0.000 0.000 0.255 121 A C 0.666 178.309 177.584 0.097 0.000 1.274 121 A CA -0.252 51.838 52.037 0.088 0.000 0.920 121 A CB -0.113 18.945 19.000 0.095 0.000 1.033 121 A HN 0.822 nan 8.150 nan 0.000 0.516 122 E N 0.164 120.420 120.200 0.092 0.000 2.415 122 E HA 0.290 4.640 4.350 -0.000 0.000 0.260 122 E C 0.824 177.466 176.600 0.070 0.000 1.016 122 E CA 0.552 57.006 56.400 0.090 0.000 0.924 122 E CB 0.105 29.848 29.700 0.071 0.000 0.961 122 E HN 0.938 nan 8.360 nan 0.000 0.459 123 G N 2.885 111.734 108.800 0.082 0.000 2.176 123 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.253 123 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.253 123 G C -0.053 174.904 174.900 0.094 0.000 0.979 123 G CA 0.273 45.417 45.100 0.075 0.000 0.641 123 G HN 0.478 nan 8.290 nan 0.000 0.530 124 K N -0.135 120.332 120.400 0.111 0.000 2.267 124 K HA 0.735 5.055 4.320 -0.000 0.000 0.246 124 K C 0.002 176.700 176.600 0.164 0.000 0.954 124 K CA -0.880 55.495 56.287 0.147 0.000 0.824 124 K CB 2.049 34.633 32.500 0.139 0.000 1.167 124 K HN 0.206 nan 8.250 nan 0.000 0.431 125 I N 1.600 122.311 120.570 0.235 0.000 2.359 125 I HA 0.241 4.411 4.170 -0.000 0.000 0.294 125 I C -0.392 175.951 176.117 0.377 0.000 0.987 125 I CA -1.056 60.393 61.300 0.250 0.000 1.225 125 I CB 1.725 39.861 38.000 0.228 0.000 1.366 125 I HN 0.006 nan 8.210 nan 0.000 0.466 126 V N 5.041 125.128 119.914 0.288 0.000 2.459 126 V HA 0.580 4.700 4.120 -0.000 0.000 0.295 126 V C 0.162 176.445 176.094 0.313 0.000 1.029 126 V CA -0.346 62.128 62.300 0.291 0.000 0.874 126 V CB 1.918 33.853 31.823 0.188 0.000 0.985 126 V HN 0.912 nan 8.190 nan 0.000 0.438 127 T N 1.594 116.382 114.554 0.391 0.000 2.864 127 T HA 0.876 5.226 4.350 -0.000 0.000 0.289 127 T C -0.151 174.731 174.700 0.303 0.000 1.082 127 T CA -0.416 61.907 62.100 0.372 0.000 1.009 127 T CB 1.955 71.155 68.868 0.554 0.000 1.234 127 T HN 0.955 nan 8.240 nan 0.000 0.526 128 A N 0.208 123.191 122.820 0.271 0.000 2.304 128 A HA 0.734 5.054 4.320 -0.000 0.000 0.271 128 A C 0.913 178.656 177.584 0.265 0.000 1.091 128 A CA -0.217 51.961 52.037 0.235 0.000 0.812 128 A CB -0.491 18.637 19.000 0.212 0.000 1.056 128 A HN 1.357 nan 8.150 nan 0.000 0.489 129 G N -0.145 108.785 108.800 0.217 0.000 2.442 129 G HA2 0.472 4.432 3.960 -0.000 0.000 0.249 129 G HA3 0.472 4.432 3.960 -0.000 0.000 0.249 129 G C 0.543 175.601 174.900 0.264 0.000 1.263 129 G CA 0.229 45.461 45.100 0.220 0.000 0.846 129 G HN 1.123 nan 8.290 nan 0.000 0.555 130 G N -0.415 108.575 108.800 0.316 0.000 2.636 130 G HA2 0.459 4.419 3.960 -0.000 0.000 0.246 130 G HA3 0.459 4.419 3.960 -0.000 0.000 0.246 130 G C -0.303 174.744 174.900 0.245 0.000 1.216 130 G CA -0.514 44.813 45.100 0.379 0.000 0.854 130 G HN 0.651 nan 8.290 nan 0.000 0.572 131 I N 0.884 121.595 120.570 0.234 0.000 2.497 131 I HA 0.174 4.344 4.170 -0.000 0.000 0.284 131 I C -1.327 174.871 176.117 0.135 0.000 1.060 131 I CA -0.726 60.668 61.300 0.156 0.000 1.071 131 I CB 2.162 40.235 38.000 0.122 0.000 1.216 131 I HN 0.310 nan 8.210 nan 0.000 0.442 132 D N 4.492 124.950 120.400 0.097 0.000 2.280 132 D HA 0.227 4.867 4.640 -0.000 0.000 0.236 132 D C 0.784 177.115 176.300 0.051 0.000 1.082 132 D CA -0.169 53.875 54.000 0.073 0.000 0.834 132 D CB 1.641 42.458 40.800 0.027 0.000 1.100 132 D HN 0.615 nan 8.370 nan 0.000 0.486 133 T N 0.315 114.929 114.554 0.100 0.000 3.223 133 T HA 0.139 4.489 4.350 -0.000 0.000 0.259 133 T C 0.519 175.317 174.700 0.163 0.000 1.015 133 T CA -0.168 61.979 62.100 0.080 0.000 0.908 133 T CB -0.479 68.477 68.868 0.146 0.000 1.054 133 T HN 0.505 nan 8.240 nan 0.000 0.567 134 H N 0.602 119.643 119.070 -0.047 0.000 2.616 134 H HA 0.428 4.984 4.556 -0.000 0.000 0.229 134 H C -0.810 174.386 175.328 -0.221 0.000 1.418 134 H CA -0.903 55.003 56.048 -0.236 0.000 1.248 134 H CB -0.009 29.535 29.762 -0.363 0.000 1.822 134 H HN 0.205 nan 8.280 nan 0.000 0.522 135 I N 2.054 122.551 120.570 -0.121 0.000 2.365 135 I HA 0.128 4.298 4.170 -0.000 0.000 0.291 135 I C 0.328 176.218 176.117 -0.378 0.000 1.004 135 I CA -0.200 60.896 61.300 -0.340 0.000 1.311 135 I CB 0.998 38.545 38.000 -0.754 0.000 1.401 135 I HN 0.528 nan 8.210 nan 0.000 0.491 136 H N 5.448 124.322 119.070 -0.327 0.000 2.581 136 H HA 0.135 4.691 4.556 -0.000 0.000 0.308 136 H C -0.798 174.417 175.328 -0.188 0.000 1.040 136 H CA -0.382 55.562 56.048 -0.173 0.000 1.231 136 H CB 0.726 30.446 29.762 -0.071 0.000 1.396 136 H HN 0.568 nan 8.280 nan 0.000 0.467 137 W N 5.363 126.730 121.300 0.112 0.000 1.564 137 W HA 0.136 4.796 4.660 -0.000 0.000 0.480 137 W C 0.974 177.535 176.519 0.070 0.000 0.699 137 W CA -0.297 57.094 57.345 0.076 0.000 1.985 137 W CB -0.281 29.206 29.460 0.045 0.000 1.738 137 W HN 0.638 nan 8.180 nan 0.000 0.218 138 I N 1.247 121.977 120.570 0.267 0.000 2.584 138 I HA -0.075 4.095 4.170 -0.000 0.000 0.255 138 I C 1.070 177.299 176.117 0.187 0.000 1.145 138 I CA 0.619 62.041 61.300 0.203 0.000 1.462 138 I CB -0.131 37.983 38.000 0.190 0.000 1.102 138 I HN 0.232 nan 8.210 nan 0.000 0.433 139 C N -2.106 117.322 119.300 0.213 0.000 3.171 139 C HA 0.389 4.849 4.460 -0.000 0.000 0.336 139 C C -1.917 173.208 174.990 0.224 0.000 1.198 139 C CA -1.423 57.700 59.018 0.174 0.000 1.319 139 C CB 1.319 29.130 27.740 0.119 0.000 1.682 139 C HN -0.045 nan 8.230 nan 0.000 0.497 140 P HA -0.090 nan 4.420 nan 0.000 0.223 140 P C 1.100 178.491 177.300 0.151 0.000 1.151 140 P CA 1.564 64.750 63.100 0.142 0.000 0.787 140 P CB 0.225 31.956 31.700 0.052 0.000 0.788 141 Q N 0.118 119.989 119.800 0.118 0.000 2.368 141 Q HA -0.142 4.198 4.340 -0.000 0.000 0.210 141 Q C 2.371 178.433 176.000 0.103 0.000 0.982 141 Q CA 1.288 57.146 55.803 0.091 0.000 0.884 141 Q CB -0.830 27.946 28.738 0.063 0.000 0.933 141 Q HN 0.452 nan 8.270 nan 0.000 0.460 142 Q N -0.600 119.288 119.800 0.146 0.000 2.170 142 Q HA -0.134 4.206 4.340 -0.000 0.000 0.203 142 Q C 2.015 178.099 176.000 0.141 0.000 0.976 142 Q CA 1.197 57.072 55.803 0.121 0.000 0.858 142 Q CB -0.198 28.606 28.738 0.111 0.000 0.907 142 Q HN 0.494 nan 8.270 nan 0.000 0.433 143 A N 1.193 124.153 122.820 0.233 0.000 1.902 143 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 143 A C 1.900 179.551 177.584 0.112 0.000 1.181 143 A CA 1.694 53.861 52.037 0.216 0.000 0.623 143 A CB -0.480 18.661 19.000 0.235 0.000 0.818 143 A HN 0.448 nan 8.150 nan 0.000 0.443 144 E N -0.569 119.681 120.200 0.083 0.000 2.072 144 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 144 E C 1.955 178.563 176.600 0.014 0.000 0.985 144 E CA 1.341 57.768 56.400 0.045 0.000 0.801 144 E CB -0.126 29.600 29.700 0.044 0.000 0.750 144 E HN 0.554 nan 8.360 nan 0.000 0.452 145 E N 0.353 120.565 120.200 0.019 0.000 2.058 145 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 145 E C 1.741 178.326 176.600 -0.024 0.000 0.997 145 E CA 1.620 58.014 56.400 -0.009 0.000 0.801 145 E CB -0.312 29.388 29.700 -0.001 0.000 0.746 145 E HN 0.369 nan 8.360 nan 0.000 0.450 146 A N 0.043 122.864 122.820 0.002 0.000 1.898 146 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 146 A C 2.168 179.753 177.584 0.002 0.000 1.181 146 A CA 1.281 53.320 52.037 0.003 0.000 0.620 146 A CB -0.718 18.297 19.000 0.025 0.000 0.819 146 A HN 0.352 nan 8.150 nan 0.000 0.442 147 L N 0.004 121.233 121.223 0.010 0.000 2.012 147 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 147 L C 2.390 179.218 176.870 -0.071 0.000 1.073 147 L CA 1.872 56.712 54.840 -0.001 0.000 0.748 147 L CB -0.482 41.588 42.059 0.018 0.000 0.891 147 L HN 0.156 nan 8.230 nan 0.000 0.431 148 V N -0.335 119.500 119.914 -0.132 0.000 2.392 148 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 148 V C 2.694 178.611 176.094 -0.295 0.000 1.059 148 V CA 1.770 63.872 62.300 -0.331 0.000 1.051 148 V CB -0.903 30.642 31.823 -0.462 0.000 0.658 148 V HN 0.775 nan 8.190 nan 0.000 0.455 149 S N -0.230 115.390 115.700 -0.133 0.000 2.481 149 S HA 0.166 4.636 4.470 -0.000 0.000 0.231 149 S C 1.572 176.212 174.600 0.067 0.000 0.996 149 S CA 1.004 59.190 58.200 -0.023 0.000 0.942 149 S CB 0.460 63.659 63.200 -0.002 0.000 0.768 149 S HN 1.237 nan 8.310 nan 0.000 0.520 150 G N -0.322 108.478 108.800 0.000 0.000 2.148 150 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.157 150 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.157 150 G C -0.225 174.750 174.900 0.126 0.000 1.012 150 G CA -0.204 44.928 45.100 0.054 0.000 0.677 150 G HN 0.605 nan 8.290 nan 0.000 0.506 151 V N 1.992 121.957 119.914 0.085 0.000 2.370 151 V HA 0.574 4.694 4.120 -0.000 0.000 0.279 151 V C 1.389 177.546 176.094 0.105 0.000 1.029 151 V CA 0.611 62.978 62.300 0.111 0.000 0.870 151 V CB 1.372 33.242 31.823 0.077 0.000 0.984 151 V HN 0.589 nan 8.190 nan 0.000 0.451 152 T N -0.194 114.439 114.554 0.131 0.000 3.040 152 T HA 0.147 4.497 4.350 -0.000 0.000 0.250 152 T C 0.629 175.422 174.700 0.155 0.000 1.058 152 T CA -0.009 62.167 62.100 0.126 0.000 0.988 152 T CB 0.256 69.195 68.868 0.119 0.000 0.993 152 T HN 0.526 nan 8.240 nan 0.000 0.519 153 T N 2.303 116.960 114.554 0.171 0.000 2.848 153 T HA 0.677 5.027 4.350 -0.000 0.000 0.285 153 T C -1.029 173.779 174.700 0.181 0.000 0.995 153 T CA -0.562 61.664 62.100 0.210 0.000 0.970 153 T CB 1.730 70.732 68.868 0.222 0.000 0.976 153 T HN 0.191 nan 8.240 nan 0.000 0.441 154 M N 3.193 122.929 119.600 0.228 0.000 2.197 154 M HA 0.542 5.022 4.480 -0.000 0.000 0.301 154 M C -1.160 175.272 176.300 0.220 0.000 0.987 154 M CA -0.834 54.576 55.300 0.183 0.000 0.921 154 M CB 2.199 34.933 32.600 0.225 0.000 1.569 154 M HN 0.239 nan 8.290 nan 0.000 0.431 155 V N 2.500 122.456 119.914 0.069 0.000 2.495 155 V HA 1.012 5.132 4.120 -0.000 0.000 0.298 155 V C 0.257 176.338 176.094 -0.022 0.000 1.031 155 V CA -0.211 62.111 62.300 0.036 0.000 0.871 155 V CB 1.578 33.297 31.823 -0.174 0.000 0.988 155 V HN 1.076 nan 8.190 nan 0.000 0.432 156 G N 2.870 111.709 108.800 0.066 0.000 2.335 156 G HA2 0.646 4.606 3.960 -0.000 0.000 0.291 156 G HA3 0.646 4.606 3.960 -0.000 0.000 0.291 156 G C -0.616 174.372 174.900 0.146 0.000 1.261 156 G CA 0.151 45.236 45.100 -0.024 0.000 0.871 156 G HN 1.141 nan 8.290 nan 0.000 0.491 157 G N -2.064 106.785 108.800 0.081 0.000 2.692 157 G HA2 1.005 4.965 3.960 -0.000 0.000 0.291 157 G HA3 1.005 4.965 3.960 -0.000 0.000 0.291 157 G C -0.233 174.823 174.900 0.260 0.000 1.423 157 G CA 0.409 45.665 45.100 0.261 0.000 0.843 157 G HN 2.292 nan 8.290 nan 0.000 0.486 158 G N -1.838 107.129 108.800 0.279 0.000 2.352 158 G HA2 0.527 4.487 3.960 -0.000 0.000 0.302 158 G HA3 0.527 4.487 3.960 -0.000 0.000 0.302 158 G C 0.117 175.084 174.900 0.113 0.000 1.370 158 G CA 0.936 46.155 45.100 0.199 0.000 0.918 158 G HN 1.746 nan 8.290 nan 0.000 0.610 159 T N -2.962 111.592 114.554 0.000 0.000 3.087 159 T HA 0.642 4.992 4.350 -0.000 0.000 0.283 159 T C 1.226 175.923 174.700 -0.005 0.000 0.956 159 T CA 1.224 63.270 62.100 -0.090 0.000 0.894 159 T CB 0.556 69.115 68.868 -0.515 0.000 1.160 159 T HN 2.707 nan 8.240 nan 0.000 0.532 160 G N 2.373 111.198 108.800 0.041 0.000 2.293 160 G HA2 0.194 4.154 3.960 -0.000 0.000 0.282 160 G HA3 0.194 4.154 3.960 -0.000 0.000 0.282 160 G C -2.981 171.918 174.900 -0.001 0.000 1.299 160 G CA -0.435 44.698 45.100 0.056 0.000 1.018 160 G HN 0.039 nan 8.290 nan 0.000 0.478 161 P HA 0.475 nan 4.420 nan 0.000 0.226 161 P C 0.042 177.151 177.300 -0.318 0.000 1.783 161 P CA 0.987 64.055 63.100 -0.053 0.000 0.980 161 P CB 0.079 31.869 31.700 0.149 0.000 1.967 162 A N 1.241 123.785 122.820 -0.460 0.000 2.337 162 A HA 0.654 4.974 4.320 -0.000 0.000 0.331 162 A C 1.580 178.859 177.584 -0.508 0.000 1.137 162 A CA -0.183 51.643 52.037 -0.353 0.000 0.807 162 A CB 1.131 20.029 19.000 -0.170 0.000 1.250 162 A HN 0.219 nan 8.150 nan 0.000 0.468 163 A N 1.374 124.045 122.820 -0.250 0.000 1.903 163 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 163 A C 2.201 179.756 177.584 -0.049 0.000 1.191 163 A CA 2.816 54.757 52.037 -0.159 0.000 0.638 163 A CB -1.396 17.378 19.000 -0.376 0.000 0.823 163 A HN 1.636 nan 8.150 nan 0.000 0.451 164 G N -1.672 107.089 108.800 -0.064 0.000 2.440 164 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 164 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 164 G C 1.552 176.516 174.900 0.107 0.000 1.154 164 G CA 1.680 46.813 45.100 0.055 0.000 0.767 164 G HN 0.465 nan 8.290 nan 0.000 0.552 165 T N -0.028 114.553 114.554 0.046 0.000 2.942 165 T HA -0.004 4.346 4.350 -0.000 0.000 0.265 165 T C 2.105 176.934 174.700 0.215 0.000 1.062 165 T CA 0.937 63.095 62.100 0.097 0.000 1.139 165 T CB -0.250 68.638 68.868 0.032 0.000 0.883 165 T HN 0.281 nan 8.240 nan 0.000 0.468 166 H N 1.394 120.538 119.070 0.122 0.000 2.352 166 H HA 0.098 4.654 4.556 -0.000 0.000 0.299 166 H C 2.446 177.737 175.328 -0.062 0.000 1.097 166 H CA 1.402 57.470 56.048 0.034 0.000 1.311 166 H CB -0.553 29.263 29.762 0.090 0.000 1.377 166 H HN 0.420 nan 8.280 nan 0.000 0.504 167 A N 0.136 123.022 122.820 0.111 0.000 1.984 167 A HA 0.073 4.393 4.320 -0.000 0.000 0.214 167 A C 1.354 178.934 177.584 -0.008 0.000 1.173 167 A CA 1.078 53.042 52.037 -0.122 0.000 0.673 167 A CB -0.063 18.777 19.000 -0.265 0.000 0.830 167 A HN 0.481 nan 8.150 nan 0.000 0.453 168 T N -3.294 111.258 114.554 -0.003 0.000 2.916 168 T HA 0.461 4.811 4.350 -0.000 0.000 0.292 168 T C -0.033 174.414 174.700 -0.421 0.000 1.064 168 T CA 0.219 62.090 62.100 -0.382 0.000 1.011 168 T CB 1.397 70.121 68.868 -0.240 0.000 1.152 168 T HN 0.277 nan 8.240 nan 0.000 0.510 169 T N -0.409 113.776 114.554 -0.615 0.000 3.285 169 T HA 0.443 4.793 4.350 -0.000 0.000 0.232 169 T C 0.022 174.716 174.700 -0.010 0.000 0.973 169 T CA -0.685 61.214 62.100 -0.334 0.000 1.023 169 T CB -1.791 66.953 68.868 -0.205 0.000 1.158 169 T HN 0.683 nan 8.240 nan 0.000 0.590 170 C N 1.700 121.022 119.300 0.037 0.000 2.408 170 C HA 0.622 5.082 4.460 -0.000 0.000 0.321 170 C C 0.598 175.623 174.990 0.059 0.000 1.245 170 C CA -0.815 58.249 59.018 0.077 0.000 1.523 170 C CB 1.000 28.780 27.740 0.066 0.000 2.178 170 C HN 0.607 nan 8.230 nan 0.000 0.488 171 T N 4.693 119.283 114.554 0.061 0.000 2.910 171 T HA 0.286 4.636 4.350 -0.000 0.000 0.323 171 T C -2.654 172.072 174.700 0.042 0.000 1.091 171 T CA -0.749 61.387 62.100 0.060 0.000 0.960 171 T CB 0.242 69.173 68.868 0.105 0.000 1.024 171 T HN 0.427 nan 8.240 nan 0.000 0.509 172 P HA 0.361 nan 4.420 nan 0.000 0.269 172 P C 0.724 178.102 177.300 0.131 0.000 1.252 172 P CA 0.717 63.815 63.100 -0.003 0.000 0.780 172 P CB 0.214 31.874 31.700 -0.067 0.000 0.829 173 G N 5.464 114.307 108.800 0.071 0.000 2.846 173 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.660 173 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.660 173 G C -2.013 172.967 174.900 0.133 0.000 1.464 173 G CA -0.818 44.341 45.100 0.099 0.000 0.891 173 G HN 0.252 nan 8.290 nan 0.000 0.552 174 P HA -0.136 nan 4.420 nan 0.000 0.216 174 P C 1.663 179.029 177.300 0.110 0.000 1.157 174 P CA 2.241 65.395 63.100 0.090 0.000 0.880 174 P CB -0.012 31.734 31.700 0.077 0.000 0.791 175 W N -1.170 120.105 121.300 -0.043 0.000 2.354 175 W HA -0.210 4.450 4.660 -0.000 0.000 0.315 175 W C 2.184 178.634 176.519 -0.115 0.000 1.206 175 W CA 1.496 58.771 57.345 -0.115 0.000 1.290 175 W CB -1.068 28.267 29.460 -0.208 0.000 1.152 175 W HN -0.096 nan 8.180 nan 0.000 0.489 176 Y N 0.127 120.566 120.300 0.232 0.000 2.242 176 Y HA -0.173 4.377 4.550 -0.000 0.000 0.291 176 Y C 2.327 178.193 175.900 -0.057 0.000 1.137 176 Y CA 1.745 59.888 58.100 0.071 0.000 1.181 176 Y CB -0.939 37.621 38.460 0.167 0.000 0.989 176 Y HN -0.061 nan 8.280 nan 0.000 0.527 177 I N -1.256 119.391 120.570 0.129 0.000 2.179 177 I HA -0.344 3.826 4.170 -0.000 0.000 0.242 177 I C 2.342 178.433 176.117 -0.044 0.000 1.088 177 I CA 1.525 62.853 61.300 0.047 0.000 1.357 177 I CB -0.519 37.511 38.000 0.050 0.000 1.051 177 I HN 0.040 nan 8.210 nan 0.000 0.409 178 S N 0.297 115.935 115.700 -0.103 0.000 2.370 178 S HA -0.217 4.253 4.470 -0.000 0.000 0.226 178 S C 2.082 176.536 174.600 -0.243 0.000 1.033 178 S CA 1.345 59.442 58.200 -0.172 0.000 1.011 178 S CB -0.291 62.779 63.200 -0.218 0.000 0.852 178 S HN 0.267 nan 8.310 nan 0.000 0.457 179 R N 0.934 121.218 120.500 -0.360 0.000 2.081 179 R HA 0.117 4.457 4.340 -0.000 0.000 0.235 179 R C 2.275 178.451 176.300 -0.206 0.000 1.131 179 R CA 1.312 57.186 56.100 -0.377 0.000 0.960 179 R CB -0.369 29.604 30.300 -0.546 0.000 0.856 179 R HN 0.309 nan 8.270 nan 0.000 0.436 180 M N -0.279 119.241 119.600 -0.135 0.000 2.254 180 M HA -0.040 4.440 4.480 -0.000 0.000 0.265 180 M C 2.090 178.290 176.300 -0.166 0.000 1.066 180 M CA 1.274 56.487 55.300 -0.144 0.000 1.123 180 M CB -0.645 31.889 32.600 -0.109 0.000 1.388 180 M HN 0.158 nan 8.290 nan 0.000 0.425 181 L N -0.296 120.850 121.223 -0.128 0.000 2.083 181 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 181 L C 2.553 179.344 176.870 -0.132 0.000 1.083 181 L CA 1.205 55.977 54.840 -0.113 0.000 0.752 181 L CB -0.477 41.532 42.059 -0.083 0.000 0.899 181 L HN 0.400 nan 8.230 nan 0.000 0.433 182 Q N -0.465 119.248 119.800 -0.145 0.000 2.046 182 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 182 Q C 2.422 178.343 176.000 -0.132 0.000 0.975 182 Q CA 1.474 57.193 55.803 -0.141 0.000 0.836 182 Q CB -0.234 28.414 28.738 -0.151 0.000 0.896 182 Q HN 0.539 nan 8.270 nan 0.000 0.428 183 A N 1.109 123.842 122.820 -0.145 0.000 2.019 183 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 183 A C 2.262 179.751 177.584 -0.159 0.000 1.164 183 A CA 1.370 53.323 52.037 -0.140 0.000 0.644 183 A CB -0.617 18.290 19.000 -0.155 0.000 0.805 183 A HN 0.387 nan 8.150 nan 0.000 0.449 184 A N 0.031 122.738 122.820 -0.189 0.000 1.972 184 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 184 A C 1.667 179.193 177.584 -0.098 0.000 1.169 184 A CA 1.758 53.682 52.037 -0.188 0.000 0.635 184 A CB -0.517 18.376 19.000 -0.178 0.000 0.810 184 A HN 0.431 nan 8.150 nan 0.000 0.446 185 D N -0.100 120.253 120.400 -0.078 0.000 2.265 185 D HA -0.061 4.579 4.640 -0.000 0.000 0.208 185 D C 1.753 178.126 176.300 0.122 0.000 0.977 185 D CA 1.335 55.328 54.000 -0.011 0.000 0.871 185 D CB -0.091 40.624 40.800 -0.141 0.000 0.925 185 D HN 0.399 nan 8.370 nan 0.000 0.485 186 S N -0.511 115.212 115.700 0.038 0.000 2.558 186 S HA 0.122 4.592 4.470 -0.000 0.000 0.217 186 S C 0.914 175.519 174.600 0.008 0.000 0.975 186 S CA -0.080 58.142 58.200 0.036 0.000 0.912 186 S CB 0.576 63.777 63.200 0.002 0.000 0.776 186 S HN 0.174 nan 8.310 nan 0.000 0.526 187 L N 2.990 124.207 121.223 -0.009 0.000 2.295 187 L HA 0.345 4.685 4.340 -0.000 0.000 0.285 187 L C -1.878 175.010 176.870 0.029 0.000 1.035 187 L CA -2.166 52.673 54.840 -0.001 0.000 0.806 187 L CB 1.163 43.194 42.059 -0.046 0.000 1.214 187 L HN -0.146 nan 8.230 nan 0.000 0.426 188 P HA 0.001 nan 4.420 nan 0.000 0.263 188 P C -0.397 176.942 177.300 0.066 0.000 1.386 188 P CA 0.330 63.458 63.100 0.045 0.000 0.797 188 P CB -0.127 31.594 31.700 0.035 0.000 1.381 189 V N -3.716 116.250 119.914 0.086 0.000 2.962 189 V HA 0.533 4.653 4.120 -0.000 0.000 0.313 189 V C -0.264 175.901 176.094 0.118 0.000 1.099 189 V CA -1.433 60.938 62.300 0.119 0.000 0.971 189 V CB 1.811 33.738 31.823 0.174 0.000 1.028 189 V HN -0.184 nan 8.190 nan 0.000 0.430 190 N N 1.990 120.773 118.700 0.139 0.000 2.518 190 N HA 0.558 5.298 4.740 -0.000 0.000 0.266 190 N C -0.733 174.931 175.510 0.257 0.000 1.196 190 N CA 0.205 53.334 53.050 0.131 0.000 0.947 190 N CB 1.291 39.912 38.487 0.222 0.000 1.098 190 N HN 0.728 nan 8.380 nan 0.000 0.450 191 I N -0.171 120.533 120.570 0.224 0.000 2.647 191 I HA 0.487 4.657 4.170 -0.000 0.000 0.295 191 I C 0.249 176.611 176.117 0.409 0.000 1.078 191 I CA -0.890 60.601 61.300 0.319 0.000 1.048 191 I CB 2.502 40.606 38.000 0.173 0.000 1.239 191 I HN 0.420 nan 8.210 nan 0.000 0.421 192 G N 5.797 114.834 108.800 0.396 0.000 2.719 192 G HA2 0.690 4.650 3.960 -0.000 0.000 0.298 192 G HA3 0.690 4.650 3.960 -0.000 0.000 0.298 192 G C -1.280 173.772 174.900 0.253 0.000 1.433 192 G CA -0.444 44.852 45.100 0.326 0.000 1.034 192 G HN 0.373 nan 8.290 nan 0.000 0.517 193 L N 1.331 122.678 121.223 0.207 0.000 2.360 193 L HA 0.610 4.950 4.340 -0.000 0.000 0.271 193 L C -0.152 176.814 176.870 0.159 0.000 1.057 193 L CA -0.888 54.074 54.840 0.203 0.000 0.803 193 L CB 1.715 43.864 42.059 0.151 0.000 1.207 193 L HN 0.216 nan 8.230 nan 0.000 0.445 194 L N 0.935 122.254 121.223 0.159 0.000 2.346 194 L HA 0.636 4.976 4.340 -0.000 0.000 0.276 194 L C 0.382 177.316 176.870 0.106 0.000 1.006 194 L CA -0.477 54.440 54.840 0.130 0.000 0.817 194 L CB 1.840 43.985 42.059 0.144 0.000 1.272 194 L HN 0.656 nan 8.230 nan 0.000 0.421 195 G N 0.951 109.796 108.800 0.074 0.000 2.531 195 G HA2 0.300 4.259 3.960 -0.000 0.000 0.313 195 G HA3 0.300 4.259 3.960 -0.000 0.000 0.313 195 G C -0.959 173.945 174.900 0.006 0.000 1.238 195 G CA -0.582 44.540 45.100 0.037 0.000 0.994 195 G HN 0.523 nan 8.290 nan 0.000 0.493 196 K N 0.179 120.536 120.400 -0.072 0.000 2.292 196 K HA 0.260 4.580 4.320 -0.000 0.000 0.290 196 K C 1.059 177.589 176.600 -0.116 0.000 1.083 196 K CA -0.018 56.167 56.287 -0.170 0.000 0.918 196 K CB 0.338 32.578 32.500 -0.432 0.000 1.089 196 K HN 0.450 nan 8.250 nan 0.000 0.473 197 G N 3.563 112.335 108.800 -0.047 0.000 3.042 197 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.212 197 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.212 197 G C -0.066 174.816 174.900 -0.030 0.000 1.166 197 G CA -0.333 44.748 45.100 -0.032 0.000 0.767 197 G HN 0.617 nan 8.290 nan 0.000 0.546 198 N N 0.851 119.526 118.700 -0.043 0.000 2.739 198 N HA 0.415 5.154 4.740 -0.000 0.000 0.266 198 N C -0.905 174.589 175.510 -0.026 0.000 1.168 198 N CA 0.126 53.176 53.050 -0.001 0.000 1.055 198 N CB 1.247 39.783 38.487 0.082 0.000 1.393 198 N HN 0.034 nan 8.380 nan 0.000 0.514 199 V N -0.976 118.926 119.914 -0.020 0.000 3.147 199 V HA 0.339 4.459 4.120 -0.000 0.000 0.299 199 V C 0.209 176.296 176.094 -0.011 0.000 1.302 199 V CA -0.947 61.340 62.300 -0.021 0.000 1.015 199 V CB 2.084 33.885 31.823 -0.037 0.000 1.086 199 V HN 0.248 nan 8.190 nan 0.000 0.437 200 S N 0.737 116.432 115.700 -0.008 0.000 2.575 200 S HA 0.189 4.659 4.470 -0.000 0.000 0.237 200 S C 0.134 174.729 174.600 -0.008 0.000 0.975 200 S CA -0.028 58.168 58.200 -0.006 0.000 0.960 200 S CB 0.003 63.201 63.200 -0.002 0.000 0.822 200 S HN 0.813 nan 8.310 nan 0.000 0.472 201 Q N 1.589 121.382 119.800 -0.011 0.000 2.339 201 Q HA 0.430 4.770 4.340 -0.000 0.000 0.268 201 Q C -2.502 173.490 176.000 -0.013 0.000 1.027 201 Q CA -2.086 53.711 55.803 -0.011 0.000 0.759 201 Q CB 1.564 30.295 28.738 -0.011 0.000 1.244 201 Q HN -0.109 nan 8.270 nan 0.000 0.464 202 P HA -0.173 nan 4.420 nan 0.000 0.215 202 P C 0.221 177.515 177.300 -0.011 0.000 1.157 202 P CA 1.343 64.436 63.100 -0.011 0.000 0.874 202 P CB 0.348 32.042 31.700 -0.010 0.000 0.790 203 D N -0.707 119.688 120.400 -0.009 0.000 2.190 203 D HA -0.158 4.482 4.640 -0.000 0.000 0.200 203 D C 1.905 178.200 176.300 -0.009 0.000 0.992 203 D CA 1.604 55.600 54.000 -0.007 0.000 0.854 203 D CB -0.594 40.203 40.800 -0.006 0.000 0.936 203 D HN 0.122 nan 8.370 nan 0.000 0.462 204 A N 0.313 123.126 122.820 -0.013 0.000 2.015 204 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 204 A C 2.352 179.925 177.584 -0.019 0.000 1.163 204 A CA 0.725 52.751 52.037 -0.017 0.000 0.646 204 A CB -0.414 18.571 19.000 -0.025 0.000 0.806 204 A HN 0.202 nan 8.150 nan 0.000 0.448 205 L N -1.618 119.595 121.223 -0.017 0.000 2.127 205 L HA -0.031 4.309 4.340 -0.000 0.000 0.203 205 L C 2.745 179.611 176.870 -0.006 0.000 1.080 205 L CA 0.722 55.553 54.840 -0.016 0.000 0.768 205 L CB -0.482 41.567 42.059 -0.017 0.000 0.924 205 L HN 0.283 nan 8.230 nan 0.000 0.444 206 R N 0.457 120.954 120.500 -0.005 0.000 2.091 206 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 206 R C 2.121 178.423 176.300 0.004 0.000 1.136 206 R CA 1.509 57.609 56.100 -0.001 0.000 0.959 206 R CB -0.332 29.967 30.300 -0.002 0.000 0.856 206 R HN 0.447 nan 8.270 nan 0.000 0.437 207 E N 0.705 120.907 120.200 0.003 0.000 2.058 207 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 207 E C 2.175 178.783 176.600 0.013 0.000 0.997 207 E CA 1.303 57.707 56.400 0.008 0.000 0.801 207 E CB -0.028 29.676 29.700 0.008 0.000 0.746 207 E HN 0.436 nan 8.360 nan 0.000 0.450 208 Q N 0.211 120.018 119.800 0.012 0.000 2.050 208 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 208 Q C 2.430 178.444 176.000 0.023 0.000 0.980 208 Q CA 1.396 57.211 55.803 0.019 0.000 0.840 208 Q CB -0.039 28.705 28.738 0.011 0.000 0.898 208 Q HN 0.171 nan 8.270 nan 0.000 0.424 209 V N 1.049 120.974 119.914 0.019 0.000 2.343 209 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 209 V C 2.255 178.363 176.094 0.024 0.000 1.051 209 V CA 1.796 64.111 62.300 0.024 0.000 1.036 209 V CB -0.952 30.882 31.823 0.018 0.000 0.654 209 V HN 0.380 nan 8.190 nan 0.000 0.451 210 A N -0.149 122.681 122.820 0.017 0.000 2.015 210 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 210 A C 2.320 179.913 177.584 0.015 0.000 1.163 210 A CA 1.676 53.722 52.037 0.015 0.000 0.646 210 A CB -0.510 18.496 19.000 0.010 0.000 0.806 210 A HN 0.563 nan 8.150 nan 0.000 0.448 211 A N -2.041 120.790 122.820 0.018 0.000 2.067 211 A HA 0.390 4.710 4.320 -0.000 0.000 0.217 211 A C 1.775 179.367 177.584 0.014 0.000 1.156 211 A CA 1.727 53.773 52.037 0.015 0.000 0.683 211 A CB -0.377 18.635 19.000 0.021 0.000 0.808 211 A HN 1.568 nan 8.150 nan 0.000 0.455 212 G N -1.844 106.972 108.800 0.026 0.000 2.935 212 G HA2 0.047 4.007 3.960 -0.000 0.000 0.213 212 G HA3 0.047 4.007 3.960 -0.000 0.000 0.213 212 G C 0.322 175.257 174.900 0.057 0.000 0.984 212 G CA 0.068 45.189 45.100 0.034 0.000 0.790 212 G HN 1.346 nan 8.290 nan 0.000 0.538 213 V N 1.133 121.082 119.914 0.059 0.000 2.843 213 V HA 0.580 4.700 4.120 -0.000 0.000 0.305 213 V C 1.688 177.834 176.094 0.087 0.000 1.065 213 V CA 0.237 62.584 62.300 0.079 0.000 1.116 213 V CB 1.136 33.002 31.823 0.072 0.000 0.968 213 V HN 0.819 nan 8.190 nan 0.000 0.487 214 I N 0.105 120.741 120.570 0.110 0.000 3.956 214 I HA 0.753 4.923 4.170 -0.000 0.000 0.333 214 I C 0.650 176.837 176.117 0.118 0.000 1.302 214 I CA 0.373 61.742 61.300 0.116 0.000 1.122 214 I CB -0.128 37.954 38.000 0.137 0.000 1.013 214 I HN 0.899 nan 8.210 nan 0.000 0.405 215 G N 1.209 110.075 108.800 0.109 0.000 2.506 215 G HA2 0.600 4.560 3.960 -0.000 0.000 0.292 215 G HA3 0.600 4.560 3.960 -0.000 0.000 0.292 215 G C -1.954 172.989 174.900 0.072 0.000 1.425 215 G CA -0.766 44.394 45.100 0.101 0.000 0.788 215 G HN 0.078 nan 8.290 nan 0.000 0.490 216 L N 0.621 121.868 121.223 0.041 0.000 2.376 216 L HA 0.704 5.044 4.340 -0.000 0.000 0.275 216 L C 0.301 177.179 176.870 0.013 0.000 0.987 216 L CA -0.962 53.893 54.840 0.025 0.000 0.828 216 L CB 2.100 44.158 42.059 -0.001 0.000 1.249 216 L HN 0.779 nan 8.230 nan 0.000 0.409 217 A N 4.359 127.219 122.820 0.067 0.000 2.274 217 A HA 0.756 5.076 4.320 -0.000 0.000 0.309 217 A C -0.644 177.018 177.584 0.130 0.000 1.226 217 A CA -0.349 51.746 52.037 0.096 0.000 0.853 217 A CB 0.319 19.507 19.000 0.314 0.000 1.146 217 A HN 0.533 nan 8.150 nan 0.000 0.518 218 I N 3.749 124.311 120.570 -0.015 0.000 2.321 218 I HA 0.311 4.481 4.170 -0.000 0.000 0.291 218 I C 0.121 176.228 176.117 -0.018 0.000 0.998 218 I CA 0.309 61.630 61.300 0.036 0.000 1.227 218 I CB 0.831 38.821 38.000 -0.018 0.000 1.368 218 I HN 0.589 nan 8.210 nan 0.000 0.466 219 H N 5.024 124.207 119.070 0.187 0.000 2.637 219 H HA 0.213 4.769 4.556 -0.000 0.000 0.363 219 H C 0.499 175.807 175.328 -0.033 0.000 1.131 219 H CA -0.434 55.665 56.048 0.085 0.000 1.183 219 H CB 2.090 31.931 29.762 0.132 0.000 1.637 219 H HN 0.712 nan 8.280 nan 0.000 0.531 220 E N 1.367 121.463 120.200 -0.172 0.000 2.267 220 E HA -0.190 4.160 4.350 -0.000 0.000 0.197 220 E C -0.082 176.480 176.600 -0.063 0.000 0.998 220 E CA 1.692 58.038 56.400 -0.090 0.000 0.830 220 E CB 0.009 29.661 29.700 -0.081 0.000 0.751 220 E HN 0.542 nan 8.360 nan 0.000 0.491 221 D N 0.357 120.676 120.400 -0.134 0.000 2.218 221 D HA -0.142 4.498 4.640 -0.000 0.000 0.204 221 D C 0.633 176.785 176.300 -0.247 0.000 0.976 221 D CA 1.252 55.106 54.000 -0.243 0.000 0.853 221 D CB -0.183 40.340 40.800 -0.461 0.000 0.939 221 D HN 0.467 nan 8.370 nan 0.000 0.481 222 W N 0.403 121.707 121.300 0.005 0.000 3.239 222 W HA 0.427 5.087 4.660 -0.000 0.000 0.348 222 W C 0.557 177.076 176.519 0.001 0.000 1.183 222 W CA -0.138 57.212 57.345 0.008 0.000 1.819 222 W CB 0.650 30.125 29.460 0.024 0.000 1.091 222 W HN -0.056 nan 8.180 nan 0.000 0.629 223 G N 1.383 110.279 108.800 0.161 0.000 2.897 223 G HA2 0.075 4.035 3.960 -0.000 0.000 0.436 223 G HA3 0.075 4.035 3.960 -0.000 0.000 0.436 223 G C -0.271 174.677 174.900 0.080 0.000 1.079 223 G CA -0.608 44.545 45.100 0.089 0.000 1.090 223 G HN 0.444 nan 8.290 nan 0.000 0.480 224 A N 2.648 125.495 122.820 0.045 0.000 3.126 224 A HA 0.707 5.027 4.320 -0.000 0.000 0.268 224 A C 1.186 178.786 177.584 0.027 0.000 1.605 224 A CA 0.778 52.840 52.037 0.040 0.000 1.305 224 A CB -0.414 18.608 19.000 0.036 0.000 1.160 224 A HN 2.057 nan 8.150 nan 0.000 0.609 225 T N -1.860 112.710 114.554 0.027 0.000 2.899 225 T HA 0.448 4.798 4.350 -0.000 0.000 0.284 225 T C -1.849 172.863 174.700 0.020 0.000 1.004 225 T CA -1.690 60.422 62.100 0.020 0.000 1.043 225 T CB 1.173 70.048 68.868 0.013 0.000 1.013 225 T HN 0.097 nan 8.240 nan 0.000 0.518 226 P HA -0.086 nan 4.420 nan 0.000 0.216 226 P C 1.674 178.976 177.300 0.003 0.000 1.153 226 P CA 1.574 64.680 63.100 0.011 0.000 0.858 226 P CB -0.251 31.453 31.700 0.006 0.000 0.789 227 A N -0.133 122.689 122.820 0.002 0.000 1.877 227 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 227 A C 2.327 179.911 177.584 -0.000 0.000 1.186 227 A CA 2.182 54.219 52.037 -0.000 0.000 0.620 227 A CB -1.623 17.377 19.000 0.000 0.000 0.822 227 A HN 0.193 nan 8.150 nan 0.000 0.443 228 A N -0.054 122.769 122.820 0.005 0.000 1.877 228 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 228 A C 2.142 179.724 177.584 -0.002 0.000 1.186 228 A CA 1.563 53.603 52.037 0.005 0.000 0.620 228 A CB -0.656 18.355 19.000 0.019 0.000 0.822 228 A HN 0.494 nan 8.150 nan 0.000 0.443 229 I N -0.217 120.352 120.570 -0.001 0.000 2.163 229 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 229 I C 2.349 178.455 176.117 -0.019 0.000 1.085 229 I CA 2.030 63.323 61.300 -0.012 0.000 1.347 229 I CB -0.436 37.559 38.000 -0.007 0.000 1.044 229 I HN 0.459 nan 8.210 nan 0.000 0.408 230 D N 0.086 120.477 120.400 -0.014 0.000 2.117 230 D HA -0.239 4.401 4.640 -0.000 0.000 0.197 230 D C 2.310 178.600 176.300 -0.017 0.000 0.987 230 D CA 1.360 55.350 54.000 -0.016 0.000 0.829 230 D CB -0.160 40.632 40.800 -0.012 0.000 0.961 230 D HN 0.406 nan 8.370 nan 0.000 0.460 231 C N 0.046 119.338 119.300 -0.014 0.000 2.413 231 C HA 0.006 4.466 4.460 -0.000 0.000 0.277 231 C C 2.931 177.910 174.990 -0.018 0.000 1.228 231 C CA 1.632 60.642 59.018 -0.014 0.000 1.731 231 C CB -1.507 26.226 27.740 -0.012 0.000 2.042 231 C HN 0.463 nan 8.230 nan 0.000 0.468 232 A N 0.016 122.824 122.820 -0.021 0.000 1.908 232 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 232 A C 2.181 179.747 177.584 -0.030 0.000 1.181 232 A CA 1.859 53.880 52.037 -0.025 0.000 0.627 232 A CB -0.724 18.259 19.000 -0.029 0.000 0.818 232 A HN 0.693 nan 8.150 nan 0.000 0.445 233 L N -0.898 120.304 121.223 -0.034 0.000 2.141 233 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 233 L C 2.719 179.571 176.870 -0.030 0.000 1.094 233 L CA 1.547 56.364 54.840 -0.038 0.000 0.763 233 L CB -0.654 41.380 42.059 -0.041 0.000 0.908 233 L HN 0.348 nan 8.230 nan 0.000 0.437 234 T N -0.710 113.830 114.554 -0.024 0.000 2.777 234 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 234 T C 1.975 176.664 174.700 -0.018 0.000 1.040 234 T CA 1.264 63.352 62.100 -0.020 0.000 1.141 234 T CB -0.093 68.765 68.868 -0.016 0.000 0.868 234 T HN 0.058 nan 8.240 nan 0.000 0.444 235 V N 1.636 121.540 119.914 -0.018 0.000 2.427 235 V HA -0.107 4.013 4.120 -0.000 0.000 0.248 235 V C 2.858 178.943 176.094 -0.016 0.000 1.051 235 V CA 1.513 63.804 62.300 -0.015 0.000 1.048 235 V CB -1.161 30.654 31.823 -0.013 0.000 0.666 235 V HN 0.504 nan 8.190 nan 0.000 0.456 236 A N -0.080 122.727 122.820 -0.022 0.000 1.902 236 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 236 A C 2.001 179.569 177.584 -0.026 0.000 1.181 236 A CA 2.083 54.105 52.037 -0.025 0.000 0.623 236 A CB -0.666 18.311 19.000 -0.038 0.000 0.818 236 A HN 0.504 nan 8.150 nan 0.000 0.443 237 D N -0.291 120.093 120.400 -0.027 0.000 2.178 237 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 237 D C 1.961 178.249 176.300 -0.020 0.000 0.980 237 D CA 1.567 55.551 54.000 -0.025 0.000 0.842 237 D CB -0.190 40.595 40.800 -0.025 0.000 0.948 237 D HN 0.890 nan 8.370 nan 0.000 0.472 238 E N -0.843 119.347 120.200 -0.016 0.000 2.415 238 E HA 0.052 4.402 4.350 -0.000 0.000 0.197 238 E C 1.476 178.070 176.600 -0.010 0.000 1.007 238 E CA 0.170 56.562 56.400 -0.013 0.000 0.890 238 E CB 0.060 29.753 29.700 -0.011 0.000 0.891 238 E HN 0.194 nan 8.360 nan 0.000 0.496 239 M N 0.821 120.415 119.600 -0.009 0.000 2.313 239 M HA 0.144 4.624 4.480 -0.000 0.000 0.273 239 M C -0.319 175.980 176.300 -0.002 0.000 1.049 239 M CA -0.103 55.196 55.300 -0.003 0.000 1.004 239 M CB 0.540 33.141 32.600 0.001 0.000 1.461 239 M HN -0.110 nan 8.290 nan 0.000 0.514 240 D N 2.951 123.345 120.400 -0.010 0.000 2.705 240 D HA -0.153 4.487 4.640 -0.000 0.000 0.240 240 D C -1.029 175.267 176.300 -0.006 0.000 1.137 240 D CA 0.639 54.631 54.000 -0.013 0.000 0.677 240 D CB -0.806 39.986 40.800 -0.013 0.000 1.049 240 D HN 0.521 nan 8.370 nan 0.000 0.427 241 I N -2.594 117.971 120.570 -0.009 0.000 3.002 241 I HA 0.719 4.889 4.170 -0.000 0.000 0.310 241 I C -0.019 176.082 176.117 -0.027 0.000 1.087 241 I CA -1.162 60.139 61.300 0.003 0.000 1.017 241 I CB 1.524 39.537 38.000 0.021 0.000 1.226 241 I HN -0.128 nan 8.210 nan 0.000 0.443 242 Q N 1.661 121.443 119.800 -0.031 0.000 2.214 242 Q HA 0.723 5.063 4.340 -0.000 0.000 0.251 242 Q C -1.442 174.510 176.000 -0.080 0.000 0.936 242 Q CA -0.601 55.136 55.803 -0.110 0.000 0.894 242 Q CB 1.895 30.455 28.738 -0.297 0.000 1.252 242 Q HN 0.651 nan 8.270 nan 0.000 0.448 243 V N 2.151 121.989 119.914 -0.128 0.000 2.459 243 V HA 0.847 4.967 4.120 -0.000 0.000 0.295 243 V C -0.745 175.202 176.094 -0.244 0.000 1.029 243 V CA -0.670 61.548 62.300 -0.137 0.000 0.874 243 V CB 1.396 33.148 31.823 -0.119 0.000 0.985 243 V HN 0.844 nan 8.190 nan 0.000 0.438 244 A N 5.189 127.799 122.820 -0.350 0.000 2.318 244 A HA 0.860 5.180 4.320 -0.000 0.000 0.317 244 A C -1.153 175.976 177.584 -0.757 0.000 1.159 244 A CA -0.470 51.073 52.037 -0.823 0.000 0.799 244 A CB 1.188 19.474 19.000 -1.190 0.000 1.194 244 A HN 0.777 nan 8.150 nan 0.000 0.479 245 L N 2.109 122.891 121.223 -0.735 0.000 2.329 245 L HA 0.565 4.905 4.340 -0.000 0.000 0.279 245 L C -0.346 176.379 176.870 -0.241 0.000 1.014 245 L CA -0.179 54.428 54.840 -0.388 0.000 0.814 245 L CB 1.504 43.435 42.059 -0.213 0.000 1.257 245 L HN 0.781 nan 8.230 nan 0.000 0.424 246 H N 3.240 122.202 119.070 -0.180 0.000 2.866 246 H HA 0.501 5.057 4.556 -0.000 0.000 0.287 246 H C -0.396 174.979 175.328 0.079 0.000 1.106 246 H CA -0.471 55.620 56.048 0.071 0.000 1.396 246 H CB 0.830 30.662 29.762 0.115 0.000 1.469 246 H HN 0.839 nan 8.280 nan 0.000 0.500 247 S N 2.585 118.470 115.700 0.309 0.000 2.606 247 S HA -0.070 4.400 4.470 -0.000 0.000 0.257 247 S C 0.435 175.064 174.600 0.048 0.000 1.327 247 S CA -0.785 57.506 58.200 0.151 0.000 0.984 247 S CB 0.983 64.278 63.200 0.158 0.000 0.941 247 S HN 0.745 nan 8.310 nan 0.000 0.576 248 D N 0.518 120.759 120.400 -0.266 0.000 2.367 248 D HA 0.172 4.812 4.640 -0.000 0.000 0.255 248 D C 1.038 177.060 176.300 -0.463 0.000 1.300 248 D CA 0.111 53.907 54.000 -0.340 0.000 0.959 248 D CB -0.053 40.570 40.800 -0.295 0.000 1.064 248 D HN 0.545 nan 8.370 nan 0.000 0.509 249 T N 3.712 118.201 114.554 -0.109 0.000 2.746 249 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 249 T C 1.963 176.670 174.700 0.012 0.000 1.039 249 T CA 0.795 62.914 62.100 0.032 0.000 1.142 249 T CB -0.064 68.983 68.868 0.298 0.000 0.866 249 T HN 0.438 nan 8.240 nan 0.000 0.444 250 L N 1.069 122.226 121.223 -0.110 0.000 2.450 250 L HA -0.017 4.323 4.340 -0.000 0.000 0.224 250 L C 0.756 177.614 176.870 -0.019 0.000 1.149 250 L CA 0.314 55.083 54.840 -0.118 0.000 0.816 250 L CB -0.815 41.089 42.059 -0.259 0.000 0.932 250 L HN 0.291 nan 8.230 nan 0.000 0.449 251 N N -0.062 118.646 118.700 0.013 0.000 2.714 251 N HA -0.275 4.465 4.740 -0.000 0.000 0.250 251 N C 1.152 176.613 175.510 -0.081 0.000 1.117 251 N CA 1.302 54.401 53.050 0.081 0.000 0.719 251 N CB -1.032 37.584 38.487 0.215 0.000 1.081 251 N HN 0.595 nan 8.380 nan 0.000 0.557 252 E N 0.540 120.692 120.200 -0.079 0.000 2.077 252 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 252 E C 1.421 177.966 176.600 -0.093 0.000 0.989 252 E CA 1.758 58.103 56.400 -0.092 0.000 0.800 252 E CB 0.115 29.759 29.700 -0.093 0.000 0.746 252 E HN 0.554 nan 8.360 nan 0.000 0.452 253 S N -1.257 114.402 115.700 -0.068 0.000 2.524 253 S HA 0.409 4.879 4.470 -0.000 0.000 0.215 253 S C 0.569 175.119 174.600 -0.083 0.000 0.986 253 S CA 0.007 58.172 58.200 -0.057 0.000 0.911 253 S CB 1.325 64.514 63.200 -0.018 0.000 0.805 253 S HN 0.421 nan 8.310 nan 0.000 0.501 254 G N 0.222 108.945 108.800 -0.129 0.000 2.339 254 G HA2 0.383 4.343 3.960 -0.000 0.000 0.295 254 G HA3 0.383 4.343 3.960 -0.000 0.000 0.295 254 G C -1.277 173.492 174.900 -0.218 0.000 1.310 254 G CA -1.069 43.882 45.100 -0.249 0.000 0.870 254 G HN 0.081 nan 8.290 nan 0.000 0.559 255 F N -0.948 118.985 119.950 -0.027 0.000 2.321 255 F HA 0.586 5.113 4.527 -0.000 0.000 0.318 255 F C 1.905 177.291 175.800 -0.690 0.000 1.129 255 F CA 0.071 57.958 58.000 -0.188 0.000 1.074 255 F CB 0.796 39.742 39.000 -0.089 0.000 1.432 255 F HN 0.335 nan 8.300 nan 0.000 0.502 256 V N 1.396 120.971 119.914 -0.565 0.000 2.392 256 V HA -0.229 3.891 4.120 -0.000 0.000 0.249 256 V C 2.209 178.157 176.094 -0.244 0.000 1.059 256 V CA 2.457 64.402 62.300 -0.592 0.000 1.051 256 V CB -0.630 31.076 31.823 -0.195 0.000 0.658 256 V HN 0.820 nan 8.190 nan 0.000 0.455 257 E N -1.019 119.124 120.200 -0.095 0.000 2.204 257 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 257 E C 1.658 178.237 176.600 -0.036 0.000 0.990 257 E CA 1.720 58.099 56.400 -0.034 0.000 0.821 257 E CB -0.640 29.074 29.700 0.023 0.000 0.750 257 E HN 0.681 nan 8.360 nan 0.000 0.477 258 D N 0.910 121.286 120.400 -0.040 0.000 2.123 258 D HA -0.064 4.576 4.640 -0.000 0.000 0.200 258 D C 1.767 178.049 176.300 -0.031 0.000 0.976 258 D CA 1.602 55.586 54.000 -0.027 0.000 0.831 258 D CB -0.031 40.753 40.800 -0.027 0.000 0.974 258 D HN 0.204 nan 8.370 nan 0.000 0.469 259 T N 1.683 116.208 114.554 -0.049 0.000 2.708 259 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 259 T C 2.289 176.963 174.700 -0.043 0.000 1.037 259 T CA 0.538 62.642 62.100 0.006 0.000 1.146 259 T CB -0.264 68.663 68.868 0.098 0.000 0.865 259 T HN 0.087 nan 8.240 nan 0.000 0.435 260 L N 0.737 121.904 121.223 -0.093 0.000 2.079 260 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 260 L C 2.971 179.787 176.870 -0.090 0.000 1.081 260 L CA 1.187 55.940 54.840 -0.145 0.000 0.752 260 L CB -0.621 41.300 42.059 -0.231 0.000 0.896 260 L HN 0.246 nan 8.230 nan 0.000 0.433 261 A N -0.064 122.725 122.820 -0.051 0.000 1.898 261 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 261 A C 2.547 180.117 177.584 -0.024 0.000 1.181 261 A CA 1.595 53.617 52.037 -0.026 0.000 0.620 261 A CB -0.693 18.300 19.000 -0.012 0.000 0.819 261 A HN 0.383 nan 8.150 nan 0.000 0.442 262 A N 0.040 122.846 122.820 -0.023 0.000 1.933 262 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 262 A C 2.079 179.647 177.584 -0.026 0.000 1.175 262 A CA 1.508 53.535 52.037 -0.018 0.000 0.628 262 A CB -0.650 18.345 19.000 -0.008 0.000 0.814 262 A HN 0.506 nan 8.150 nan 0.000 0.444 263 I N -0.453 120.094 120.570 -0.040 0.000 2.335 263 I HA -0.144 4.026 4.170 -0.000 0.000 0.251 263 I C 1.790 177.882 176.117 -0.042 0.000 1.129 263 I CA 0.951 62.221 61.300 -0.050 0.000 1.402 263 I CB -0.728 37.227 38.000 -0.076 0.000 1.069 263 I HN 0.495 nan 8.210 nan 0.000 0.424 264 G N 1.108 109.887 108.800 -0.035 0.000 2.356 264 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.296 264 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.296 264 G C 0.976 175.865 174.900 -0.018 0.000 1.022 264 G CA 0.445 45.532 45.100 -0.022 0.000 0.961 264 G HN 0.942 nan 8.290 nan 0.000 0.510 265 G N -1.774 107.015 108.800 -0.019 0.000 2.155 265 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.257 265 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.257 265 G C 0.521 175.409 174.900 -0.020 0.000 0.983 265 G CA 1.082 46.178 45.100 -0.007 0.000 0.676 265 G HN 1.023 nan 8.290 nan 0.000 0.528 266 R N 0.270 120.750 120.500 -0.033 0.000 2.500 266 R HA 0.492 4.832 4.340 -0.000 0.000 0.275 266 R C 0.425 176.694 176.300 -0.052 0.000 1.051 266 R CA -0.184 55.892 56.100 -0.039 0.000 1.088 266 R CB 0.553 30.828 30.300 -0.041 0.000 1.063 266 R HN 0.144 nan 8.270 nan 0.000 0.511 267 T N 2.962 117.482 114.554 -0.056 0.000 2.902 267 T HA 0.200 4.550 4.350 -0.000 0.000 0.301 267 T C 0.124 174.770 174.700 -0.090 0.000 1.012 267 T CA 0.473 62.530 62.100 -0.072 0.000 1.151 267 T CB 0.031 68.853 68.868 -0.076 0.000 0.946 267 T HN 0.378 nan 8.240 nan 0.000 0.542 268 I N 1.787 122.297 120.570 -0.100 0.000 2.787 268 I HA 0.235 4.405 4.170 -0.000 0.000 0.294 268 I C -0.835 175.219 176.117 -0.105 0.000 1.365 268 I CA -0.861 60.367 61.300 -0.119 0.000 1.029 268 I CB 2.139 40.066 38.000 -0.123 0.000 1.313 268 I HN 0.735 nan 8.210 nan 0.000 0.431 269 H N 5.636 124.533 119.070 -0.288 0.000 2.594 269 H HA 0.409 4.965 4.556 -0.000 0.000 0.304 269 H C -0.889 174.204 175.328 -0.392 0.000 1.068 269 H CA -0.550 55.307 56.048 -0.319 0.000 1.308 269 H CB 0.997 30.541 29.762 -0.363 0.000 1.409 269 H HN 0.604 nan 8.280 nan 0.000 0.460 270 T N 3.353 117.832 114.554 -0.126 0.000 2.749 270 T HA 0.197 4.547 4.350 -0.000 0.000 0.295 270 T C -0.102 174.443 174.700 -0.258 0.000 0.936 270 T CA -0.752 61.193 62.100 -0.259 0.000 1.060 270 T CB 0.263 69.043 68.868 -0.147 0.000 0.904 270 T HN 0.200 nan 8.240 nan 0.000 0.500 271 F N 3.550 123.193 119.950 -0.512 0.000 2.418 271 F HA 0.263 4.790 4.527 -0.000 0.000 0.341 271 F C 1.440 176.797 175.800 -0.738 0.000 1.120 271 F CA -0.957 56.641 58.000 -0.670 0.000 1.232 271 F CB -0.099 38.333 39.000 -0.947 0.000 1.175 271 F HN 0.928 nan 8.300 nan 0.000 0.569 272 H N -0.717 118.541 119.070 0.313 0.000 2.166 272 H HA -0.206 4.350 4.556 -0.000 0.000 0.323 272 H C 0.777 176.197 175.328 0.153 0.000 0.936 272 H CA 0.412 56.583 56.048 0.206 0.000 1.073 272 H CB -2.438 27.398 29.762 0.123 0.000 1.592 272 H HN 0.560 nan 8.280 nan 0.000 0.346 273 T N -0.825 113.841 114.554 0.186 0.000 2.946 273 T HA -0.225 4.125 4.350 -0.000 0.000 0.271 273 T C 1.746 176.622 174.700 0.294 0.000 1.104 273 T CA 1.268 63.429 62.100 0.102 0.000 1.114 273 T CB 0.046 68.723 68.868 -0.317 0.000 0.867 273 T HN 0.704 nan 8.240 nan 0.000 0.513 274 E N 0.805 121.256 120.200 0.419 0.000 2.152 274 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 274 E C 1.919 178.604 176.600 0.141 0.000 0.983 274 E CA 1.138 57.710 56.400 0.286 0.000 0.818 274 E CB -0.267 29.548 29.700 0.192 0.000 0.758 274 E HN 0.590 nan 8.360 nan 0.000 0.467 275 G N -0.061 108.822 108.800 0.139 0.000 2.307 275 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.210 275 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.210 275 G C 1.387 176.250 174.900 -0.061 0.000 1.005 275 G CA 0.627 45.754 45.100 0.046 0.000 0.634 275 G HN 0.553 nan 8.290 nan 0.000 0.496 276 A N 0.801 123.582 122.820 -0.065 0.000 1.917 276 A HA 0.274 4.594 4.320 -0.000 0.000 0.219 276 A C 2.687 180.171 177.584 -0.168 0.000 1.182 276 A CA 2.562 54.538 52.037 -0.101 0.000 0.633 276 A CB -1.007 17.944 19.000 -0.082 0.000 0.819 276 A HN 1.694 nan 8.150 nan 0.000 0.448 277 G N -1.656 106.986 108.800 -0.263 0.000 2.744 277 G HA2 0.427 4.387 3.960 -0.000 0.000 0.211 277 G HA3 0.427 4.387 3.960 -0.000 0.000 0.211 277 G C 0.700 174.998 174.900 -1.004 0.000 1.143 277 G CA 0.814 45.574 45.100 -0.567 0.000 0.788 277 G HN 1.680 nan 8.290 nan 0.000 0.534 278 G N -2.261 106.112 108.800 -0.712 0.000 2.435 278 G HA2 0.570 4.530 3.960 -0.000 0.000 0.603 278 G HA3 0.570 4.530 3.960 -0.000 0.000 0.603 278 G C -0.323 174.489 174.900 -0.146 0.000 1.496 278 G CA -0.112 44.709 45.100 -0.464 0.000 0.896 278 G HN 1.750 nan 8.290 nan 0.000 0.657 279 G N 0.471 109.330 108.800 0.099 0.000 2.333 279 G HA2 0.493 4.453 3.960 -0.000 0.000 0.330 279 G HA3 0.493 4.453 3.960 -0.000 0.000 0.330 279 G C -0.556 174.417 174.900 0.122 0.000 1.465 279 G CA -0.544 44.644 45.100 0.146 0.000 0.996 279 G HN 1.309 nan 8.290 nan 0.000 0.655 280 H N 0.166 119.319 119.070 0.140 0.000 3.214 280 H HA 0.256 4.812 4.556 -0.000 0.000 0.291 280 H C 1.076 176.464 175.328 0.099 0.000 0.926 280 H CA 1.508 57.634 56.048 0.130 0.000 1.409 280 H CB 0.602 30.443 29.762 0.131 0.000 1.406 280 H HN 0.912 nan 8.280 nan 0.000 0.561 281 A N 6.950 129.886 122.820 0.193 0.000 2.328 281 A HA 0.276 4.596 4.320 -0.000 0.000 0.284 281 A C -1.553 176.091 177.584 0.100 0.000 1.160 281 A CA -1.226 50.864 52.037 0.088 0.000 0.818 281 A CB 0.663 19.702 19.000 0.065 0.000 1.087 281 A HN 0.546 nan 8.150 nan 0.000 0.504 282 P HA 0.164 nan 4.420 nan 0.000 0.290 282 P C -0.627 176.661 177.300 -0.019 0.000 1.447 282 P CA 0.157 63.191 63.100 -0.111 0.000 1.127 282 P CB 0.534 32.011 31.700 -0.371 0.000 1.555 283 D N -0.744 119.687 120.400 0.053 0.000 2.559 283 D HA 0.031 4.671 4.640 -0.000 0.000 0.234 283 D C 1.290 177.646 176.300 0.092 0.000 1.226 283 D CA -0.659 53.380 54.000 0.064 0.000 0.830 283 D CB -0.528 40.300 40.800 0.046 0.000 1.028 283 D HN -0.030 nan 8.370 nan 0.000 0.492 284 I N 0.534 121.179 120.570 0.125 0.000 2.454 284 I HA -0.102 4.068 4.170 -0.000 0.000 0.254 284 I C 1.673 177.860 176.117 0.116 0.000 1.156 284 I CA 0.801 62.186 61.300 0.142 0.000 1.433 284 I CB -0.164 37.940 38.000 0.173 0.000 1.082 284 I HN 0.199 nan 8.210 nan 0.000 0.432 285 I N 0.410 121.058 120.570 0.131 0.000 2.530 285 I HA -0.314 3.856 4.170 -0.000 0.000 0.257 285 I C 2.086 178.296 176.117 0.155 0.000 1.179 285 I CA 1.785 63.194 61.300 0.181 0.000 1.440 285 I CB -0.320 37.794 38.000 0.189 0.000 1.087 285 I HN 0.501 nan 8.210 nan 0.000 0.440 286 T N -1.576 113.047 114.554 0.115 0.000 3.051 286 T HA 0.043 4.393 4.350 -0.000 0.000 0.269 286 T C 1.817 176.607 174.700 0.150 0.000 1.127 286 T CA 0.680 62.850 62.100 0.116 0.000 1.107 286 T CB -0.385 68.542 68.868 0.099 0.000 0.898 286 T HN 0.384 nan 8.240 nan 0.000 0.517 287 A N 1.395 124.275 122.820 0.100 0.000 2.019 287 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 287 A C 2.632 180.287 177.584 0.119 0.000 1.164 287 A CA 1.317 53.399 52.037 0.075 0.000 0.644 287 A CB -1.544 17.434 19.000 -0.036 0.000 0.805 287 A HN 0.996 nan 8.150 nan 0.000 0.449 288 C N -1.724 117.601 119.300 0.042 0.000 2.460 288 C HA 0.391 4.851 4.460 -0.000 0.000 0.291 288 C C 2.312 177.330 174.990 0.047 0.000 1.493 288 C CA 0.061 59.076 59.018 -0.006 0.000 1.748 288 C CB -1.822 25.905 27.740 -0.021 0.000 1.656 288 C HN 0.635 nan 8.230 nan 0.000 0.576 289 A N -0.732 122.140 122.820 0.087 0.000 2.178 289 A HA 0.175 4.495 4.320 -0.000 0.000 0.211 289 A C 0.915 178.419 177.584 -0.133 0.000 1.157 289 A CA 0.076 52.093 52.037 -0.034 0.000 0.780 289 A CB -0.562 18.380 19.000 -0.096 0.000 0.828 289 A HN 0.852 nan 8.150 nan 0.000 0.476 290 H N 0.124 119.178 119.070 -0.026 0.000 2.525 290 H HA 0.152 4.708 4.556 -0.000 0.000 0.339 290 H C -1.596 173.710 175.328 -0.037 0.000 1.109 290 H CA -1.480 54.551 56.048 -0.029 0.000 1.352 290 H CB 1.203 30.946 29.762 -0.032 0.000 1.461 290 H HN 0.165 nan 8.280 nan 0.000 0.533 291 P HA -0.150 nan 4.420 nan 0.000 0.219 291 P C 0.842 178.147 177.300 0.008 0.000 1.150 291 P CA 1.135 64.244 63.100 0.015 0.000 0.814 291 P CB 0.346 32.048 31.700 0.003 0.000 0.787 292 N N -0.381 118.333 118.700 0.023 0.000 2.398 292 N HA -0.002 4.738 4.740 -0.000 0.000 0.188 292 N C 0.374 175.864 175.510 -0.034 0.000 1.122 292 N CA 0.239 53.282 53.050 -0.012 0.000 0.866 292 N CB -0.218 38.261 38.487 -0.012 0.000 0.970 292 N HN 0.108 nan 8.380 nan 0.000 0.462 293 I N 1.947 122.506 120.570 -0.019 0.000 2.331 293 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 293 I C 0.067 176.139 176.117 -0.074 0.000 0.998 293 I CA -0.794 60.475 61.300 -0.052 0.000 1.267 293 I CB 1.375 39.352 38.000 -0.039 0.000 1.386 293 I HN -0.037 nan 8.210 nan 0.000 0.476 294 L N 8.672 129.839 121.223 -0.092 0.000 2.297 294 L HA 0.368 4.708 4.340 -0.000 0.000 0.277 294 L C -2.279 174.532 176.870 -0.099 0.000 1.040 294 L CA -1.576 53.190 54.840 -0.123 0.000 0.867 294 L CB 1.158 43.113 42.059 -0.174 0.000 1.244 294 L HN 0.310 nan 8.230 nan 0.000 0.433 295 P HA 0.256 nan 4.420 nan 0.000 0.290 295 P C -0.814 176.357 177.300 -0.216 0.000 1.276 295 P CA -0.251 62.684 63.100 -0.274 0.000 0.808 295 P CB 1.914 33.274 31.700 -0.568 0.000 0.966 296 S N 1.499 117.162 115.700 -0.062 0.000 2.627 296 S HA 0.725 5.195 4.470 -0.000 0.000 0.283 296 S C -0.554 174.202 174.600 0.259 0.000 1.127 296 S CA -0.669 57.628 58.200 0.161 0.000 0.863 296 S CB 1.264 64.696 63.200 0.386 0.000 1.121 296 S HN 0.323 nan 8.310 nan 0.000 0.479 297 S N 1.105 117.062 115.700 0.428 0.000 2.568 297 S HA 0.822 5.292 4.470 -0.000 0.000 0.302 297 S C -0.284 174.501 174.600 0.308 0.000 1.082 297 S CA -0.764 57.714 58.200 0.462 0.000 1.009 297 S CB 1.669 65.248 63.200 0.631 0.000 1.069 297 S HN 1.000 nan 8.310 nan 0.000 0.500 298 T N 0.005 114.707 114.554 0.248 0.000 2.929 298 T HA 0.316 4.666 4.350 -0.000 0.000 0.284 298 T C 0.983 175.735 174.700 0.087 0.000 1.014 298 T CA -0.896 61.275 62.100 0.118 0.000 1.051 298 T CB 0.714 69.622 68.868 0.066 0.000 1.028 298 T HN 0.579 nan 8.240 nan 0.000 0.485 299 N N 1.114 119.826 118.700 0.021 0.000 2.396 299 N HA -0.015 4.725 4.740 -0.000 0.000 0.180 299 N C -0.837 174.685 175.510 0.020 0.000 1.028 299 N CA 0.119 53.174 53.050 0.008 0.000 0.893 299 N CB -1.465 37.003 38.487 -0.032 0.000 0.967 299 N HN 0.457 nan 8.380 nan 0.000 0.440 300 P HA -0.072 nan 4.420 nan 0.000 0.225 300 P C 0.541 177.951 177.300 0.183 0.000 1.148 300 P CA 1.373 64.513 63.100 0.065 0.000 0.779 300 P CB -0.246 31.440 31.700 -0.023 0.000 0.780 301 T N -3.670 110.972 114.554 0.147 0.000 3.086 301 T HA 0.245 4.595 4.350 -0.000 0.000 0.250 301 T C 0.683 175.428 174.700 0.076 0.000 1.074 301 T CA -0.160 61.993 62.100 0.088 0.000 0.988 301 T CB -0.424 68.458 68.868 0.025 0.000 0.988 301 T HN -0.014 nan 8.240 nan 0.000 0.530 302 L N 3.367 124.629 121.223 0.065 0.000 2.276 302 L HA 0.537 4.877 4.340 -0.000 0.000 0.286 302 L C -2.511 174.381 176.870 0.036 0.000 1.024 302 L CA -2.260 52.604 54.840 0.040 0.000 0.826 302 L CB 1.736 43.792 42.059 -0.005 0.000 1.211 302 L HN -0.003 nan 8.230 nan 0.000 0.422 303 P HA 0.129 nan 4.420 nan 0.000 0.288 303 P C -1.308 176.076 177.300 0.140 0.000 1.297 303 P CA -0.785 62.369 63.100 0.089 0.000 0.864 303 P CB 1.209 32.959 31.700 0.084 0.000 1.237 304 Y N 1.748 122.051 120.300 0.006 0.000 2.713 304 Y HA 0.244 4.794 4.550 -0.000 0.000 0.341 304 Y C 0.347 176.251 175.900 0.007 0.000 1.167 304 Y CA 0.404 58.501 58.100 -0.005 0.000 1.503 304 Y CB -0.794 37.660 38.460 -0.010 0.000 1.199 304 Y HN 0.395 nan 8.280 nan 0.000 0.525 305 T N 2.590 117.094 114.554 -0.083 0.000 2.858 305 T HA 0.387 4.737 4.350 -0.000 0.000 0.285 305 T C 1.017 175.583 174.700 -0.224 0.000 1.052 305 T CA -0.848 61.140 62.100 -0.187 0.000 1.009 305 T CB 0.839 69.676 68.868 -0.051 0.000 1.241 305 T HN 0.576 nan 8.240 nan 0.000 0.542 306 L N 0.529 121.655 121.223 -0.163 0.000 2.127 306 L HA -0.040 4.300 4.340 -0.000 0.000 0.211 306 L C 2.117 178.964 176.870 -0.039 0.000 1.089 306 L CA 1.172 55.946 54.840 -0.110 0.000 0.757 306 L CB -0.431 41.583 42.059 -0.075 0.000 0.899 306 L HN 0.664 nan 8.230 nan 0.000 0.434 307 N N -1.427 117.265 118.700 -0.013 0.000 2.299 307 N HA -0.011 4.729 4.740 -0.000 0.000 0.187 307 N C 1.574 177.119 175.510 0.057 0.000 1.099 307 N CA 0.487 53.547 53.050 0.018 0.000 0.867 307 N CB 0.351 38.844 38.487 0.011 0.000 0.974 307 N HN 0.225 nan 8.380 nan 0.000 0.477 308 T N 2.350 116.952 114.554 0.079 0.000 2.597 308 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 308 T C 1.996 176.781 174.700 0.142 0.000 1.053 308 T CA 0.897 63.078 62.100 0.135 0.000 1.165 308 T CB 0.003 68.959 68.868 0.145 0.000 0.863 308 T HN 0.104 nan 8.240 nan 0.000 0.427 309 I N 2.090 122.709 120.570 0.081 0.000 2.142 309 I HA -0.160 4.010 4.170 -0.000 0.000 0.240 309 I C 2.304 178.464 176.117 0.072 0.000 1.078 309 I CA 1.485 62.811 61.300 0.043 0.000 1.343 309 I CB -1.346 36.681 38.000 0.046 0.000 1.046 309 I HN 0.344 nan 8.210 nan 0.000 0.405 310 D N 0.537 120.973 120.400 0.060 0.000 2.133 310 D HA -0.271 4.369 4.640 -0.000 0.000 0.195 310 D C 1.979 178.303 176.300 0.040 0.000 0.997 310 D CA 1.605 55.629 54.000 0.040 0.000 0.840 310 D CB -0.147 40.669 40.800 0.026 0.000 0.947 310 D HN 0.569 nan 8.370 nan 0.000 0.452 311 E N 0.353 120.592 120.200 0.065 0.000 2.152 311 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 311 E C 1.812 178.407 176.600 -0.008 0.000 0.983 311 E CA 0.796 57.212 56.400 0.026 0.000 0.818 311 E CB 0.020 29.737 29.700 0.028 0.000 0.758 311 E HN 0.337 nan 8.360 nan 0.000 0.467 312 H N 0.202 119.238 119.070 -0.056 0.000 2.387 312 H HA -0.109 4.447 4.556 -0.000 0.000 0.299 312 H C 1.902 177.166 175.328 -0.106 0.000 1.090 312 H CA 1.471 57.469 56.048 -0.083 0.000 1.332 312 H CB -0.145 29.569 29.762 -0.081 0.000 1.386 312 H HN 0.164 nan 8.280 nan 0.000 0.516 313 L N 0.702 121.931 121.223 0.010 0.000 1.990 313 L HA -0.209 4.131 4.340 -0.000 0.000 0.213 313 L C 1.536 178.353 176.870 -0.089 0.000 1.072 313 L CA 1.994 56.804 54.840 -0.051 0.000 0.755 313 L CB -0.490 41.547 42.059 -0.037 0.000 0.889 313 L HN 0.264 nan 8.230 nan 0.000 0.432 314 D N -1.073 119.278 120.400 -0.082 0.000 2.183 314 D HA -0.192 4.448 4.640 -0.000 0.000 0.203 314 D C 2.169 178.393 176.300 -0.127 0.000 0.969 314 D CA 1.394 55.338 54.000 -0.093 0.000 0.842 314 D CB 0.003 40.758 40.800 -0.076 0.000 0.957 314 D HN 0.474 nan 8.370 nan 0.000 0.484 315 M N 0.502 120.008 119.600 -0.156 0.000 2.086 315 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 315 M C 1.997 178.178 176.300 -0.198 0.000 1.067 315 M CA 0.993 56.173 55.300 -0.201 0.000 1.116 315 M CB 0.025 32.452 32.600 -0.289 0.000 1.348 315 M HN -0.031 nan 8.290 nan 0.000 0.407 316 L N 1.241 122.343 121.223 -0.202 0.000 1.989 316 L HA -0.256 4.084 4.340 -0.000 0.000 0.211 316 L C 2.332 179.076 176.870 -0.210 0.000 1.071 316 L CA 2.031 56.727 54.840 -0.239 0.000 0.749 316 L CB -1.135 40.760 42.059 -0.275 0.000 0.890 316 L HN 0.446 nan 8.230 nan 0.000 0.431 317 M N -1.230 118.265 119.600 -0.174 0.000 2.082 317 M HA -0.211 4.269 4.480 -0.000 0.000 0.258 317 M C 2.278 178.508 176.300 -0.117 0.000 1.071 317 M CA 1.640 56.864 55.300 -0.127 0.000 1.103 317 M CB -1.225 31.317 32.600 -0.096 0.000 1.307 317 M HN 0.127 nan 8.290 nan 0.000 0.409 318 V N 0.161 119.991 119.914 -0.138 0.000 2.332 318 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 318 V C 2.705 178.632 176.094 -0.278 0.000 1.055 318 V CA 1.972 64.168 62.300 -0.174 0.000 1.038 318 V CB -0.912 30.810 31.823 -0.167 0.000 0.651 318 V HN 0.702 nan 8.190 nan 0.000 0.450 319 C N 0.250 119.415 119.300 -0.226 0.000 2.413 319 C HA -0.219 4.241 4.460 -0.000 0.000 0.278 319 C C 2.509 177.298 174.990 -0.335 0.000 1.224 319 C CA 1.328 60.209 59.018 -0.228 0.000 1.732 319 C CB -1.300 26.414 27.740 -0.043 0.000 2.050 319 C HN 0.673 nan 8.230 nan 0.000 0.463 320 H N -0.682 118.196 119.070 -0.320 0.000 2.536 320 H HA 0.072 4.628 4.556 -0.000 0.000 0.276 320 H C -0.009 175.228 175.328 -0.151 0.000 1.019 320 H CA 0.599 56.520 56.048 -0.211 0.000 1.159 320 H CB -0.334 29.409 29.762 -0.032 0.000 1.373 320 H HN 0.683 nan 8.280 nan 0.000 0.584 321 H N -0.815 118.285 119.070 0.050 0.000 2.770 321 H HA -0.152 4.404 4.556 -0.000 0.000 0.309 321 H C 0.068 175.421 175.328 0.041 0.000 1.206 321 H CA 0.400 56.460 56.048 0.019 0.000 1.147 321 H CB -2.159 27.598 29.762 -0.009 0.000 1.422 321 H HN 0.387 nan 8.280 nan 0.000 0.420 322 L N 0.434 121.714 121.223 0.095 0.000 2.439 322 L HA 0.337 4.677 4.340 -0.000 0.000 0.259 322 L C 1.018 177.921 176.870 0.055 0.000 1.129 322 L CA -0.241 54.655 54.840 0.093 0.000 0.803 322 L CB 0.825 42.920 42.059 0.060 0.000 1.161 322 L HN 0.029 nan 8.230 nan 0.000 0.462 323 D N 1.755 122.189 120.400 0.056 0.000 2.381 323 D HA 0.228 4.868 4.640 -0.000 0.000 0.235 323 D C -1.785 174.530 176.300 0.025 0.000 1.068 323 D CA -1.970 52.051 54.000 0.036 0.000 0.832 323 D CB 2.062 42.886 40.800 0.039 0.000 1.101 323 D HN 0.173 nan 8.370 nan 0.000 0.515 324 P HA -0.054 nan 4.420 nan 0.000 0.228 324 P C 0.322 177.627 177.300 0.008 0.000 1.151 324 P CA 0.604 63.705 63.100 0.001 0.000 0.770 324 P CB 0.673 32.367 31.700 -0.010 0.000 0.786 325 D N -0.485 119.923 120.400 0.013 0.000 2.339 325 D HA 0.151 4.791 4.640 -0.000 0.000 0.217 325 D C 0.755 177.067 176.300 0.020 0.000 1.050 325 D CA 0.201 54.209 54.000 0.014 0.000 0.856 325 D CB 0.335 41.142 40.800 0.012 0.000 0.922 325 D HN 0.288 nan 8.370 nan 0.000 0.518 326 I N 1.201 121.788 120.570 0.027 0.000 2.330 326 I HA 0.179 4.349 4.170 -0.000 0.000 0.286 326 I C 1.497 177.639 176.117 0.042 0.000 1.025 326 I CA -0.600 60.720 61.300 0.034 0.000 1.197 326 I CB 1.841 39.866 38.000 0.042 0.000 1.358 326 I HN -0.191 nan 8.210 nan 0.000 0.467 327 A N 5.144 127.986 122.820 0.036 0.000 1.915 327 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 327 A C 1.993 179.611 177.584 0.058 0.000 1.198 327 A CA 2.033 54.093 52.037 0.040 0.000 0.647 327 A CB -0.357 18.663 19.000 0.034 0.000 0.825 327 A HN 0.748 nan 8.150 nan 0.000 0.456 328 E N -0.017 120.221 120.200 0.063 0.000 2.153 328 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 328 E C 1.542 178.231 176.600 0.149 0.000 0.988 328 E CA 1.261 57.712 56.400 0.086 0.000 0.811 328 E CB -0.243 29.491 29.700 0.057 0.000 0.746 328 E HN 0.623 nan 8.360 nan 0.000 0.466 329 D N -0.760 119.723 120.400 0.139 0.000 2.149 329 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 329 D C 2.018 178.389 176.300 0.118 0.000 0.972 329 D CA 1.323 55.441 54.000 0.196 0.000 0.835 329 D CB -0.091 40.786 40.800 0.129 0.000 0.966 329 D HN 0.247 nan 8.370 nan 0.000 0.476 330 V N -1.063 118.887 119.914 0.060 0.000 2.591 330 V HA 0.067 4.187 4.120 -0.000 0.000 0.249 330 V C 2.193 178.297 176.094 0.017 0.000 1.053 330 V CA 1.378 63.683 62.300 0.009 0.000 1.068 330 V CB -0.810 31.017 31.823 0.007 0.000 0.689 330 V HN 0.085 nan 8.190 nan 0.000 0.462 331 A N 0.775 123.637 122.820 0.070 0.000 1.898 331 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 331 A C 2.063 179.721 177.584 0.123 0.000 1.181 331 A CA 1.812 53.899 52.037 0.084 0.000 0.620 331 A CB -0.849 18.208 19.000 0.096 0.000 0.819 331 A HN 0.794 nan 8.150 nan 0.000 0.442 332 F N 1.076 121.026 119.950 -0.000 0.000 2.325 332 F HA 0.132 4.659 4.527 -0.000 0.000 0.299 332 F C 2.162 177.941 175.800 -0.034 0.000 1.090 332 F CA 0.746 58.740 58.000 -0.009 0.000 1.392 332 F CB -0.540 38.457 39.000 -0.004 0.000 1.053 332 F HN 0.213 nan 8.300 nan 0.000 0.521 333 A N 0.657 123.242 122.820 -0.391 0.000 1.872 333 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 333 A C 2.165 179.605 177.584 -0.241 0.000 1.187 333 A CA 1.520 53.267 52.037 -0.482 0.000 0.614 333 A CB -0.862 17.937 19.000 -0.335 0.000 0.826 333 A HN 0.521 nan 8.150 nan 0.000 0.442 334 E N 0.485 120.614 120.200 -0.118 0.000 2.153 334 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 334 E C 2.141 178.710 176.600 -0.051 0.000 0.988 334 E CA 1.343 57.707 56.400 -0.060 0.000 0.811 334 E CB -0.203 29.491 29.700 -0.011 0.000 0.746 334 E HN 0.769 nan 8.360 nan 0.000 0.466 335 S N 0.377 116.059 115.700 -0.029 0.000 2.547 335 S HA -0.039 4.431 4.470 -0.000 0.000 0.235 335 S C 1.754 176.290 174.600 -0.106 0.000 0.980 335 S CA 0.469 58.650 58.200 -0.033 0.000 0.941 335 S CB 0.047 63.282 63.200 0.058 0.000 0.763 335 S HN 0.126 nan 8.310 nan 0.000 0.532 336 R N 0.009 120.436 120.500 -0.123 0.000 2.189 336 R HA 0.402 4.742 4.340 -0.000 0.000 0.203 336 R C -0.090 176.117 176.300 -0.155 0.000 1.012 336 R CA 0.341 56.355 56.100 -0.143 0.000 1.015 336 R CB 0.108 30.291 30.300 -0.194 0.000 0.938 336 R HN 0.428 nan 8.270 nan 0.000 0.472 337 I N 2.217 122.700 120.570 -0.144 0.000 2.282 337 I HA 0.194 4.363 4.170 -0.000 0.000 0.290 337 I C -0.587 175.450 176.117 -0.132 0.000 1.090 337 I CA -0.124 61.090 61.300 -0.142 0.000 1.231 337 I CB 0.934 38.873 38.000 -0.101 0.000 1.434 337 I HN -0.130 nan 8.210 nan 0.000 0.487 338 R N 4.789 125.191 120.500 -0.162 0.000 2.393 338 R HA 0.380 4.720 4.340 -0.000 0.000 0.315 338 R C 1.013 177.232 176.300 -0.135 0.000 0.952 338 R CA -0.783 55.243 56.100 -0.122 0.000 0.842 338 R CB 1.973 32.154 30.300 -0.198 0.000 1.163 338 R HN 0.463 nan 8.270 nan 0.000 0.450 339 R N 1.944 122.386 120.500 -0.096 0.000 2.117 339 R HA -0.228 4.112 4.340 -0.000 0.000 0.243 339 R C 0.614 176.763 176.300 -0.252 0.000 1.143 339 R CA 1.927 57.918 56.100 -0.182 0.000 0.968 339 R CB 0.250 30.521 30.300 -0.049 0.000 0.863 339 R HN 0.581 nan 8.270 nan 0.000 0.444 340 E N -0.444 119.695 120.200 -0.102 0.000 2.038 340 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 340 E C 2.031 178.563 176.600 -0.114 0.000 1.000 340 E CA 2.369 58.726 56.400 -0.071 0.000 0.803 340 E CB -0.351 29.378 29.700 0.048 0.000 0.750 340 E HN 0.588 nan 8.360 nan 0.000 0.448 341 T N -1.063 113.425 114.554 -0.110 0.000 2.904 341 T HA -0.010 4.340 4.350 -0.000 0.000 0.267 341 T C 2.029 176.627 174.700 -0.169 0.000 1.059 341 T CA 0.690 62.726 62.100 -0.107 0.000 1.137 341 T CB -0.347 68.475 68.868 -0.076 0.000 0.879 341 T HN 0.037 nan 8.240 nan 0.000 0.467 342 I N 1.940 122.360 120.570 -0.250 0.000 2.179 342 I HA -0.144 4.026 4.170 -0.000 0.000 0.242 342 I C 3.197 179.090 176.117 -0.373 0.000 1.088 342 I CA 1.367 62.480 61.300 -0.312 0.000 1.357 342 I CB -0.599 37.157 38.000 -0.405 0.000 1.051 342 I HN 0.342 nan 8.210 nan 0.000 0.409 343 A N 0.627 123.118 122.820 -0.549 0.000 1.930 343 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 343 A C 2.525 180.025 177.584 -0.140 0.000 1.175 343 A CA 1.692 53.497 52.037 -0.387 0.000 0.627 343 A CB -0.737 18.040 19.000 -0.371 0.000 0.815 343 A HN 0.435 nan 8.150 nan 0.000 0.443 344 A N -0.257 122.476 122.820 -0.145 0.000 1.930 344 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 344 A C 1.991 179.477 177.584 -0.163 0.000 1.175 344 A CA 1.719 53.692 52.037 -0.107 0.000 0.627 344 A CB -0.548 18.401 19.000 -0.086 0.000 0.815 344 A HN 0.687 nan 8.150 nan 0.000 0.443 345 E N 0.047 120.112 120.200 -0.225 0.000 2.097 345 E HA -0.294 4.056 4.350 -0.000 0.000 0.196 345 E C 1.209 177.677 176.600 -0.220 0.000 1.000 345 E CA 1.687 57.853 56.400 -0.390 0.000 0.804 345 E CB -0.195 29.340 29.700 -0.274 0.000 0.740 345 E HN 0.552 nan 8.360 nan 0.000 0.454 346 D N -0.134 120.237 120.400 -0.049 0.000 2.117 346 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 346 D C 2.036 178.384 176.300 0.080 0.000 0.987 346 D CA 1.176 55.217 54.000 0.068 0.000 0.829 346 D CB -0.154 40.701 40.800 0.092 0.000 0.961 346 D HN 0.135 nan 8.370 nan 0.000 0.460 347 V N 0.722 120.647 119.914 0.019 0.000 2.379 347 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 347 V C 2.568 178.664 176.094 0.003 0.000 1.044 347 V CA 0.964 63.283 62.300 0.032 0.000 1.036 347 V CB -0.482 31.350 31.823 0.015 0.000 0.664 347 V HN 0.191 nan 8.190 nan 0.000 0.453 348 L N -0.751 120.411 121.223 -0.102 0.000 2.131 348 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 348 L C 2.472 179.271 176.870 -0.119 0.000 1.092 348 L CA 1.684 56.441 54.840 -0.138 0.000 0.759 348 L CB -0.672 41.203 42.059 -0.305 0.000 0.903 348 L HN 0.419 nan 8.230 nan 0.000 0.435 349 H N -1.045 117.948 119.070 -0.129 0.000 2.333 349 H HA -0.180 4.376 4.556 -0.000 0.000 0.302 349 H C 1.951 177.199 175.328 -0.133 0.000 1.075 349 H CA 1.643 57.633 56.048 -0.097 0.000 1.348 349 H CB 0.178 29.892 29.762 -0.080 0.000 1.393 349 H HN 0.193 nan 8.280 nan 0.000 0.509 350 D N -0.070 120.422 120.400 0.153 0.000 2.178 350 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 350 D C 1.674 178.051 176.300 0.129 0.000 0.980 350 D CA 0.748 54.874 54.000 0.210 0.000 0.842 350 D CB -0.002 40.953 40.800 0.257 0.000 0.948 350 D HN 0.327 nan 8.370 nan 0.000 0.472 351 L N -1.486 119.788 121.223 0.084 0.000 2.418 351 L HA 0.215 4.555 4.340 -0.000 0.000 0.218 351 L C 1.655 178.570 176.870 0.074 0.000 1.125 351 L CA 0.559 55.448 54.840 0.081 0.000 0.835 351 L CB 0.001 42.096 42.059 0.059 0.000 0.953 351 L HN 0.252 nan 8.230 nan 0.000 0.454 352 G N -0.587 108.237 108.800 0.039 0.000 2.141 352 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.231 352 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.231 352 G C 0.908 175.834 174.900 0.043 0.000 0.984 352 G CA 0.365 45.486 45.100 0.035 0.000 0.660 352 G HN 0.386 nan 8.290 nan 0.000 0.525 353 A N -0.870 121.988 122.820 0.063 0.000 1.970 353 A HA 0.608 4.928 4.320 -0.000 0.000 0.216 353 A C 0.694 178.372 177.584 0.158 0.000 1.170 353 A CA 0.873 52.976 52.037 0.109 0.000 0.645 353 A CB 0.002 19.090 19.000 0.147 0.000 0.816 353 A HN 0.606 nan 8.150 nan 0.000 0.447 354 F N -0.104 119.702 119.950 -0.241 0.000 2.415 354 F HA 0.416 4.943 4.527 -0.000 0.000 0.348 354 F C 1.173 176.822 175.800 -0.251 0.000 1.119 354 F CA -0.790 56.995 58.000 -0.358 0.000 1.069 354 F CB 1.953 40.420 39.000 -0.889 0.000 1.124 354 F HN -0.020 nan 8.300 nan 0.000 0.472 355 S N 2.513 118.192 115.700 -0.036 0.000 2.502 355 S HA 0.324 4.794 4.470 -0.000 0.000 0.215 355 S C -0.129 174.496 174.600 0.042 0.000 1.009 355 S CA 0.059 58.254 58.200 -0.008 0.000 0.908 355 S CB 0.265 63.431 63.200 -0.058 0.000 0.801 355 S HN 0.256 nan 8.310 nan 0.000 0.505 356 L N 1.317 122.608 121.223 0.113 0.000 2.376 356 L HA 0.596 4.936 4.340 -0.000 0.000 0.258 356 L C -0.207 176.843 176.870 0.300 0.000 1.013 356 L CA -0.366 54.568 54.840 0.155 0.000 0.822 356 L CB 1.950 44.054 42.059 0.074 0.000 1.388 356 L HN 0.035 nan 8.230 nan 0.000 0.413 357 T N -2.046 112.646 114.554 0.231 0.000 2.876 357 T HA 0.926 5.276 4.350 -0.000 0.000 0.289 357 T C -0.452 174.351 174.700 0.171 0.000 1.014 357 T CA -0.567 61.651 62.100 0.197 0.000 0.986 357 T CB 1.802 70.716 68.868 0.078 0.000 1.021 357 T HN 0.756 nan 8.240 nan 0.000 0.458 358 S N 0.714 116.504 115.700 0.150 0.000 2.705 358 S HA 0.701 5.171 4.470 -0.000 0.000 0.280 358 S C 0.919 175.539 174.600 0.033 0.000 1.174 358 S CA -0.093 58.178 58.200 0.119 0.000 0.823 358 S CB 1.218 64.543 63.200 0.208 0.000 1.162 358 S HN 1.115 nan 8.310 nan 0.000 0.487 359 S N 0.099 115.787 115.700 -0.019 0.000 2.357 359 S HA 0.251 4.721 4.470 -0.000 0.000 0.209 359 S C 0.281 174.769 174.600 -0.187 0.000 1.023 359 S CA 1.182 59.330 58.200 -0.087 0.000 0.933 359 S CB -0.787 62.359 63.200 -0.090 0.000 0.897 359 S HN 1.277 nan 8.310 nan 0.000 0.529 360 D N 1.439 121.669 120.400 -0.283 0.000 2.838 360 D HA -0.127 4.513 4.640 -0.000 0.000 0.237 360 D C -0.406 175.749 176.300 -0.242 0.000 1.059 360 D CA 0.689 54.390 54.000 -0.500 0.000 0.763 360 D CB -1.929 38.493 40.800 -0.629 0.000 1.070 360 D HN 0.672 nan 8.370 nan 0.000 0.437 361 S N 0.894 116.510 115.700 -0.139 0.000 2.885 361 S HA -0.018 4.452 4.470 -0.000 0.000 0.334 361 S C 1.028 175.513 174.600 -0.192 0.000 1.224 361 S CA 1.072 59.188 58.200 -0.141 0.000 1.080 361 S CB 0.769 63.893 63.200 -0.127 0.000 0.801 361 S HN 0.464 nan 8.310 nan 0.000 0.510 362 Q N 0.102 119.789 119.800 -0.189 0.000 2.468 362 Q HA -0.276 4.064 4.340 -0.000 0.000 0.256 362 Q C 0.239 176.060 176.000 -0.299 0.000 0.984 362 Q CA 1.026 56.709 55.803 -0.198 0.000 1.110 362 Q CB -2.067 26.599 28.738 -0.120 0.000 1.527 362 Q HN 1.280 nan 8.270 nan 0.000 0.535 363 A N 0.217 122.800 122.820 -0.395 0.000 3.474 363 A HA 0.556 4.876 4.320 -0.000 0.000 0.251 363 A C 0.377 177.778 177.584 -0.305 0.000 1.062 363 A CA 0.083 51.849 52.037 -0.452 0.000 0.945 363 A CB 0.433 18.850 19.000 -0.972 0.000 1.296 363 A HN 0.341 nan 8.150 nan 0.000 0.592 364 M N -1.135 118.316 119.600 -0.249 0.000 2.575 364 M HA -0.154 4.326 4.480 -0.000 0.000 0.212 364 M C 0.256 176.434 176.300 -0.205 0.000 0.479 364 M CA 1.087 56.251 55.300 -0.226 0.000 0.603 364 M CB -1.520 30.970 32.600 -0.183 0.000 2.193 364 M HN 1.349 nan 8.290 nan 0.000 0.810 365 G N 0.531 109.208 108.800 -0.205 0.000 2.556 365 G HA2 0.652 4.612 3.960 -0.000 0.000 0.294 365 G HA3 0.652 4.612 3.960 -0.000 0.000 0.294 365 G C -1.346 173.462 174.900 -0.154 0.000 1.516 365 G CA -1.133 43.865 45.100 -0.171 0.000 0.824 365 G HN 0.260 nan 8.290 nan 0.000 0.535 366 R N 1.750 122.175 120.500 -0.125 0.000 2.275 366 R HA 0.382 4.722 4.340 -0.000 0.000 0.326 366 R C 1.052 177.293 176.300 -0.100 0.000 0.973 366 R CA -0.726 55.306 56.100 -0.114 0.000 0.854 366 R CB 2.043 32.276 30.300 -0.112 0.000 1.156 366 R HN 0.332 nan 8.270 nan 0.000 0.487 367 V N 2.828 122.685 119.914 -0.094 0.000 2.546 367 V HA -0.160 3.960 4.120 -0.000 0.000 0.254 367 V C 1.422 177.478 176.094 -0.063 0.000 1.076 367 V CA 2.551 64.803 62.300 -0.080 0.000 1.087 367 V CB -0.063 31.716 31.823 -0.073 0.000 0.674 367 V HN 0.991 nan 8.190 nan 0.000 0.470 368 G N -1.403 107.359 108.800 -0.064 0.000 3.337 368 G HA2 0.146 4.106 3.960 -0.000 0.000 0.246 368 G HA3 0.146 4.106 3.960 -0.000 0.000 0.246 368 G C 0.727 175.594 174.900 -0.055 0.000 1.131 368 G CA 0.064 45.133 45.100 -0.051 0.000 0.773 368 G HN 0.604 nan 8.290 nan 0.000 0.544 369 E N 0.040 120.195 120.200 -0.076 0.000 2.734 369 E HA 0.147 4.497 4.350 -0.000 0.000 0.211 369 E C 1.465 178.007 176.600 -0.097 0.000 0.991 369 E CA -0.229 56.123 56.400 -0.081 0.000 1.065 369 E CB 1.123 30.765 29.700 -0.096 0.000 1.047 369 E HN 0.185 nan 8.360 nan 0.000 0.470 370 V N 0.805 120.651 119.914 -0.112 0.000 2.307 370 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 370 V C 2.148 178.072 176.094 -0.283 0.000 1.045 370 V CA 1.586 63.797 62.300 -0.149 0.000 1.024 370 V CB -0.267 31.487 31.823 -0.114 0.000 0.651 370 V HN 0.351 nan 8.190 nan 0.000 0.449 371 I N -0.333 120.008 120.570 -0.382 0.000 2.163 371 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 371 I C 2.466 178.432 176.117 -0.251 0.000 1.081 371 I CA 1.613 62.547 61.300 -0.609 0.000 1.353 371 I CB -0.408 37.306 38.000 -0.477 0.000 1.054 371 I HN 0.282 nan 8.210 nan 0.000 0.407 372 L N 1.052 122.216 121.223 -0.099 0.000 1.997 372 L HA -0.294 4.046 4.340 -0.000 0.000 0.216 372 L C 2.836 179.706 176.870 -0.000 0.000 1.074 372 L CA 1.837 56.678 54.840 0.002 0.000 0.763 372 L CB -0.293 41.773 42.059 0.012 0.000 0.890 372 L HN 0.144 nan 8.230 nan 0.000 0.434 373 R N -1.154 119.309 120.500 -0.061 0.000 2.115 373 R HA -0.103 4.237 4.340 -0.000 0.000 0.230 373 R C 2.122 178.371 176.300 -0.086 0.000 1.111 373 R CA 1.676 57.745 56.100 -0.053 0.000 0.976 373 R CB -0.505 29.762 30.300 -0.055 0.000 0.870 373 R HN 0.439 nan 8.270 nan 0.000 0.445 374 T N -0.143 114.297 114.554 -0.190 0.000 2.746 374 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 374 T C 1.228 175.744 174.700 -0.306 0.000 1.039 374 T CA 1.323 63.266 62.100 -0.262 0.000 1.142 374 T CB -0.200 68.443 68.868 -0.374 0.000 0.866 374 T HN 0.451 nan 8.240 nan 0.000 0.444 375 W N 1.429 122.729 121.300 -0.001 0.000 2.467 375 W HA 0.024 4.684 4.660 -0.000 0.000 0.275 375 W C 2.626 179.106 176.519 -0.065 0.000 1.239 375 W CA -0.006 57.313 57.345 -0.043 0.000 1.266 375 W CB -0.196 29.254 29.460 -0.017 0.000 1.112 375 W HN 0.297 nan 8.180 nan 0.000 0.576 376 Q N -0.026 119.854 119.800 0.133 0.000 2.119 376 Q HA -0.162 4.178 4.340 -0.000 0.000 0.201 376 Q C 2.131 178.185 176.000 0.091 0.000 0.972 376 Q CA 1.540 57.400 55.803 0.095 0.000 0.847 376 Q CB -0.407 28.362 28.738 0.051 0.000 0.903 376 Q HN 0.186 nan 8.270 nan 0.000 0.433 377 V N 0.838 120.767 119.914 0.025 0.000 2.307 377 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 377 V C 2.270 178.324 176.094 -0.067 0.000 1.045 377 V CA 1.807 64.124 62.300 0.028 0.000 1.024 377 V CB -0.984 30.881 31.823 0.069 0.000 0.651 377 V HN 0.388 nan 8.190 nan 0.000 0.449 378 A N -0.183 122.422 122.820 -0.358 0.000 1.908 378 A HA -0.325 3.995 4.320 -0.000 0.000 0.218 378 A C 2.110 179.608 177.584 -0.142 0.000 1.181 378 A CA 2.490 54.147 52.037 -0.633 0.000 0.627 378 A CB -0.889 17.614 19.000 -0.828 0.000 0.818 378 A HN 0.804 nan 8.150 nan 0.000 0.445 379 H N -0.642 118.383 119.070 -0.076 0.000 2.293 379 H HA -0.076 4.480 4.556 -0.000 0.000 0.300 379 H C 2.220 177.547 175.328 -0.002 0.000 1.082 379 H CA 1.948 57.987 56.048 -0.014 0.000 1.308 379 H CB -0.036 29.732 29.762 0.011 0.000 1.375 379 H HN 0.227 nan 8.280 nan 0.000 0.495 380 R N -0.230 120.287 120.500 0.029 0.000 2.120 380 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 380 R C 2.166 178.442 176.300 -0.041 0.000 1.123 380 R CA 1.169 57.258 56.100 -0.018 0.000 0.975 380 R CB -0.284 30.070 30.300 0.090 0.000 0.866 380 R HN 0.485 nan 8.270 nan 0.000 0.446 381 M N 0.221 119.814 119.600 -0.011 0.000 2.236 381 M HA -0.064 4.416 4.480 -0.000 0.000 0.266 381 M C 2.108 178.408 176.300 0.001 0.000 1.070 381 M CA 1.160 56.477 55.300 0.029 0.000 1.137 381 M CB -0.653 32.009 32.600 0.104 0.000 1.378 381 M HN 0.039 nan 8.290 nan 0.000 0.426 382 K N 0.431 120.806 120.400 -0.041 0.000 2.026 382 K HA -0.107 4.212 4.320 -0.000 0.000 0.208 382 K C 1.854 178.416 176.600 -0.064 0.000 1.048 382 K CA 1.253 57.521 56.287 -0.032 0.000 0.929 382 K CB 0.047 32.527 32.500 -0.033 0.000 0.713 382 K HN 0.074 nan 8.250 nan 0.000 0.439 383 V N 1.636 121.458 119.914 -0.154 0.000 2.332 383 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 383 V C 2.311 178.368 176.094 -0.063 0.000 1.055 383 V CA 1.985 64.198 62.300 -0.145 0.000 1.038 383 V CB -0.412 31.257 31.823 -0.257 0.000 0.651 383 V HN 0.451 nan 8.190 nan 0.000 0.450 384 Q N -0.826 118.949 119.800 -0.041 0.000 2.204 384 Q HA 0.025 4.365 4.340 -0.000 0.000 0.198 384 Q C 2.185 178.191 176.000 0.009 0.000 0.946 384 Q CA 0.831 56.630 55.803 -0.006 0.000 0.859 384 Q CB 0.068 28.813 28.738 0.011 0.000 0.946 384 Q HN 0.582 nan 8.270 nan 0.000 0.474 385 R N -0.332 120.178 120.500 0.017 0.000 2.404 385 R HA 0.263 4.603 4.340 -0.000 0.000 0.237 385 R C 0.721 177.039 176.300 0.029 0.000 0.907 385 R CA 0.470 56.588 56.100 0.030 0.000 1.063 385 R CB 1.108 31.437 30.300 0.048 0.000 1.134 385 R HN 0.198 nan 8.270 nan 0.000 0.529 386 G N 1.638 110.451 108.800 0.022 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 -0.260 174.666 174.900 0.044 0.000 1.312 386 G CA -0.416 44.699 45.100 0.024 0.000 0.896 386 G HN 0.430 nan 8.290 nan 0.000 0.574 387 A N -0.536 122.310 122.820 0.044 0.000 2.445 387 A HA 0.585 4.905 4.320 -0.000 0.000 0.242 387 A C 0.949 178.576 177.584 0.072 0.000 1.075 387 A CA 0.315 52.388 52.037 0.061 0.000 0.777 387 A CB 0.047 19.073 19.000 0.044 0.000 1.013 387 A HN 1.214 nan 8.150 nan 0.000 0.493 388 L N 1.429 122.717 121.223 0.108 0.000 2.436 388 L HA 0.247 4.587 4.340 -0.000 0.000 0.265 388 L C 1.827 178.723 176.870 0.042 0.000 1.168 388 L CA 0.013 54.921 54.840 0.114 0.000 0.815 388 L CB 0.796 42.990 42.059 0.224 0.000 1.109 388 L HN 0.905 nan 8.230 nan 0.000 0.462 389 A N 1.435 124.263 122.820 0.013 0.000 2.024 389 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 389 A C 1.797 179.319 177.584 -0.103 0.000 1.164 389 A CA 1.466 53.483 52.037 -0.032 0.000 0.643 389 A CB -0.383 18.600 19.000 -0.027 0.000 0.806 389 A HN 0.872 nan 8.150 nan 0.000 0.451 390 E N 0.495 120.574 120.200 -0.202 0.000 2.481 390 E HA 0.038 4.388 4.350 -0.000 0.000 0.195 390 E C 0.226 176.624 176.600 -0.336 0.000 1.047 390 E CA 0.001 56.127 56.400 -0.456 0.000 0.867 390 E CB 0.112 29.094 29.700 -1.197 0.000 0.858 390 E HN 0.484 nan 8.360 nan 0.000 0.513 391 E N 0.679 120.817 120.200 -0.104 0.000 2.415 391 E HA 0.084 4.434 4.350 -0.000 0.000 0.262 391 E C -0.222 176.370 176.600 -0.014 0.000 1.038 391 E CA 0.460 56.866 56.400 0.010 0.000 0.921 391 E CB 1.276 31.018 29.700 0.069 0.000 0.950 391 E HN -0.097 nan 8.360 nan 0.000 0.438 392 T N 0.570 115.134 114.554 0.017 0.000 2.916 392 T HA 0.575 4.925 4.350 -0.000 0.000 0.298 392 T C -0.271 174.443 174.700 0.024 0.000 1.031 392 T CA 0.453 62.558 62.100 0.009 0.000 0.993 392 T CB 1.062 69.934 68.868 0.007 0.000 1.045 392 T HN 0.715 nan 8.240 nan 0.000 0.454 393 G N 3.092 111.900 108.800 0.012 0.000 2.828 393 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.463 393 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.463 393 G C -0.559 174.344 174.900 0.005 0.000 1.394 393 G CA -0.323 44.782 45.100 0.009 0.000 0.862 393 G HN 0.743 nan 8.290 nan 0.000 0.540 394 D N 2.073 122.467 120.400 -0.010 0.000 2.639 394 D HA 0.275 4.915 4.640 -0.000 0.000 0.233 394 D C 0.647 176.933 176.300 -0.023 0.000 1.161 394 D CA 0.331 54.314 54.000 -0.028 0.000 1.003 394 D CB -0.771 39.993 40.800 -0.061 0.000 1.034 394 D HN 0.646 nan 8.370 nan 0.000 0.514 395 N N -0.525 118.186 118.700 0.020 0.000 3.179 395 N HA 0.159 4.899 4.740 -0.000 0.000 0.250 395 N C -0.870 174.692 175.510 0.087 0.000 1.507 395 N CA -0.617 52.468 53.050 0.060 0.000 0.883 395 N CB 1.140 39.665 38.487 0.064 0.000 1.435 395 N HN -0.182 nan 8.380 nan 0.000 0.532 396 D N -0.327 120.139 120.400 0.111 0.000 2.501 396 D HA 0.117 4.757 4.640 -0.000 0.000 0.226 396 D C 0.259 176.620 176.300 0.102 0.000 1.198 396 D CA -0.209 53.860 54.000 0.114 0.000 0.830 396 D CB 0.014 40.881 40.800 0.113 0.000 1.014 396 D HN 0.358 nan 8.370 nan 0.000 0.496 397 N N 0.910 119.664 118.700 0.090 0.000 2.060 397 N HA -0.209 4.531 4.740 -0.000 0.000 0.195 397 N C 1.403 176.957 175.510 0.075 0.000 1.028 397 N CA 0.895 53.984 53.050 0.066 0.000 0.861 397 N CB -0.462 38.066 38.487 0.068 0.000 1.029 397 N HN 0.244 nan 8.380 nan 0.000 0.428 398 F N 1.580 121.538 119.950 0.013 0.000 2.134 398 F HA -0.049 4.478 4.527 -0.000 0.000 0.299 398 F C 2.487 178.305 175.800 0.030 0.000 1.097 398 F CA 1.223 59.210 58.000 -0.022 0.000 1.264 398 F CB -0.176 38.806 39.000 -0.031 0.000 1.001 398 F HN -0.060 nan 8.300 nan 0.000 0.479 399 R N -0.143 120.420 120.500 0.106 0.000 2.120 399 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 399 R C 1.958 178.380 176.300 0.203 0.000 1.123 399 R CA 1.650 57.848 56.100 0.164 0.000 0.975 399 R CB -0.475 29.960 30.300 0.224 0.000 0.866 399 R HN 0.297 nan 8.270 nan 0.000 0.446 400 V N 1.220 121.225 119.914 0.152 0.000 2.358 400 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 400 V C 2.069 178.297 176.094 0.223 0.000 1.047 400 V CA 1.860 64.332 62.300 0.287 0.000 1.035 400 V CB -0.316 31.566 31.823 0.098 0.000 0.658 400 V HN 0.362 nan 8.190 nan 0.000 0.452 401 K N -0.002 120.376 120.400 -0.036 0.000 2.097 401 K HA -0.176 4.144 4.320 -0.000 0.000 0.205 401 K C 2.348 178.905 176.600 -0.071 0.000 1.050 401 K CA 1.451 57.689 56.287 -0.081 0.000 0.938 401 K CB -0.244 32.100 32.500 -0.259 0.000 0.718 401 K HN 0.341 nan 8.250 nan 0.000 0.442 402 R N 0.251 120.559 120.500 -0.320 0.000 2.081 402 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 402 R C 1.761 177.991 176.300 -0.117 0.000 1.131 402 R CA 1.570 57.533 56.100 -0.229 0.000 0.960 402 R CB -0.253 29.840 30.300 -0.345 0.000 0.856 402 R HN 0.187 nan 8.270 nan 0.000 0.436 403 Y N 0.248 120.482 120.300 -0.111 0.000 2.337 403 Y HA -0.050 4.500 4.550 -0.000 0.000 0.293 403 Y C 2.138 177.843 175.900 -0.326 0.000 1.123 403 Y CA 1.155 59.120 58.100 -0.225 0.000 1.201 403 Y CB -0.061 38.166 38.460 -0.389 0.000 1.011 403 Y HN 0.102 nan 8.280 nan 0.000 0.545 404 I N -0.523 120.026 120.570 -0.035 0.000 2.394 404 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 404 I C 2.304 178.201 176.117 -0.367 0.000 1.136 404 I CA 1.145 62.324 61.300 -0.202 0.000 1.425 404 I CB -0.132 37.970 38.000 0.170 0.000 1.079 404 I HN 0.188 nan 8.210 nan 0.000 0.425 405 A N 0.600 123.345 122.820 -0.124 0.000 2.019 405 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 405 A C 2.190 179.694 177.584 -0.133 0.000 1.164 405 A CA 1.473 53.452 52.037 -0.098 0.000 0.644 405 A CB -0.444 18.535 19.000 -0.035 0.000 0.805 405 A HN 0.422 nan 8.150 nan 0.000 0.449 406 K N -1.286 119.035 120.400 -0.133 0.000 2.147 406 K HA -0.152 4.167 4.320 -0.000 0.000 0.205 406 K C 1.158 177.791 176.600 0.055 0.000 1.049 406 K CA 1.760 58.030 56.287 -0.028 0.000 0.936 406 K CB -0.268 32.236 32.500 0.007 0.000 0.722 406 K HN 0.912 nan 8.250 nan 0.000 0.446 407 Y N -1.287 119.018 120.300 0.009 0.000 2.612 407 Y HA 0.288 4.838 4.550 -0.000 0.000 0.250 407 Y C 1.062 177.007 175.900 0.075 0.000 1.175 407 Y CA -0.218 57.904 58.100 0.036 0.000 1.205 407 Y CB -0.234 38.236 38.460 0.018 0.000 1.201 407 Y HN -0.059 nan 8.280 nan 0.000 0.532 408 T N -2.920 111.580 114.554 -0.089 0.000 3.364 408 T HA 0.122 4.472 4.350 -0.000 0.000 0.179 408 T C 1.277 175.992 174.700 0.024 0.000 0.939 408 T CA 0.581 62.678 62.100 -0.005 0.000 1.094 408 T CB -0.767 68.071 68.868 -0.050 0.000 1.532 408 T HN 0.095 nan 8.240 nan 0.000 0.346 409 I N 3.048 123.620 120.570 0.004 0.000 2.252 409 I HA -0.024 4.146 4.170 -0.000 0.000 0.245 409 I C 1.922 178.002 176.117 -0.062 0.000 1.102 409 I CA 1.373 62.659 61.300 -0.023 0.000 1.385 409 I CB -0.797 37.135 38.000 -0.113 0.000 1.064 409 I HN 0.261 nan 8.210 nan 0.000 0.414 410 N N 0.734 119.386 118.700 -0.080 0.000 2.120 410 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 410 N C -0.743 174.732 175.510 -0.058 0.000 1.024 410 N CA 1.728 54.729 53.050 -0.081 0.000 0.852 410 N CB -1.837 36.602 38.487 -0.081 0.000 1.003 410 N HN 0.315 nan 8.380 nan 0.000 0.424 411 P HA -0.013 nan 4.420 nan 0.000 0.217 411 P C 1.038 178.356 177.300 0.030 0.000 1.150 411 P CA 1.372 64.484 63.100 0.021 0.000 0.832 411 P CB -0.014 31.727 31.700 0.069 0.000 0.787 412 A N -0.736 122.090 122.820 0.010 0.000 1.898 412 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 412 A C 2.174 179.752 177.584 -0.011 0.000 1.181 412 A CA 1.358 53.392 52.037 -0.004 0.000 0.620 412 A CB -1.604 17.402 19.000 0.009 0.000 0.819 412 A HN 0.107 nan 8.150 nan 0.000 0.442 413 L N -0.873 120.332 121.223 -0.030 0.000 2.056 413 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 413 L C 2.775 179.601 176.870 -0.075 0.000 1.078 413 L CA 1.701 56.513 54.840 -0.045 0.000 0.749 413 L CB -0.836 41.181 42.059 -0.069 0.000 0.901 413 L HN 0.329 nan 8.230 nan 0.000 0.433 414 T N -2.042 112.447 114.554 -0.108 0.000 2.759 414 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 414 T C 1.437 175.960 174.700 -0.295 0.000 1.042 414 T CA 1.198 63.169 62.100 -0.214 0.000 1.140 414 T CB -0.241 68.447 68.868 -0.299 0.000 0.864 414 T HN 0.360 nan 8.240 nan 0.000 0.455 415 H N -0.307 118.706 119.070 -0.095 0.000 2.520 415 H HA 0.345 4.901 4.556 -0.000 0.000 0.284 415 H C 1.591 176.869 175.328 -0.082 0.000 1.037 415 H CA 0.296 56.297 56.048 -0.079 0.000 1.168 415 H CB 0.076 29.791 29.762 -0.078 0.000 1.497 415 H HN 0.491 nan 8.280 nan 0.000 0.547 416 G N 2.406 111.204 108.800 -0.004 0.000 2.273 416 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.280 416 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.280 416 G C 0.831 175.786 174.900 0.093 0.000 1.047 416 G CA 0.752 45.872 45.100 0.034 0.000 0.869 416 G HN 0.646 nan 8.290 nan 0.000 0.502 417 I N -4.209 116.359 120.570 -0.003 0.000 4.102 417 I HA 0.668 4.838 4.170 -0.000 0.000 0.325 417 I C 1.749 177.809 176.117 -0.095 0.000 1.471 417 I CA 0.321 61.536 61.300 -0.142 0.000 1.133 417 I CB 0.317 37.962 38.000 -0.592 0.000 1.184 417 I HN 0.114 nan 8.210 nan 0.000 0.451 418 A N 1.781 124.628 122.820 0.044 0.000 2.172 418 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 418 A C 2.017 179.656 177.584 0.090 0.000 1.154 418 A CA 1.818 53.887 52.037 0.053 0.000 0.701 418 A CB -1.254 17.777 19.000 0.053 0.000 0.789 418 A HN 0.856 nan 8.150 nan 0.000 0.465 419 H N -2.933 116.168 119.070 0.052 0.000 2.547 419 H HA 0.218 4.774 4.556 -0.000 0.000 0.272 419 H C 1.453 176.836 175.328 0.092 0.000 0.989 419 H CA 0.975 57.060 56.048 0.062 0.000 1.214 419 H CB 0.213 30.007 29.762 0.053 0.000 1.389 419 H HN 0.373 nan 8.280 nan 0.000 0.577 420 E N 0.912 120.930 120.200 -0.303 0.000 2.256 420 E HA 0.141 4.491 4.350 -0.000 0.000 0.198 420 E C 0.795 177.409 176.600 0.024 0.000 0.908 420 E CA 0.943 57.263 56.400 -0.134 0.000 0.915 420 E CB 1.131 30.763 29.700 -0.113 0.000 0.890 420 E HN 0.387 nan 8.360 nan 0.000 0.484 421 V N -4.817 115.124 119.914 0.045 0.000 3.103 421 V HA 0.862 4.982 4.120 -0.000 0.000 0.311 421 V C 0.764 176.914 176.094 0.093 0.000 1.322 421 V CA -0.169 62.191 62.300 0.100 0.000 1.063 421 V CB 1.295 33.209 31.823 0.153 0.000 1.090 421 V HN 0.286 nan 8.190 nan 0.000 0.462 422 G N -0.073 108.800 108.800 0.120 0.000 2.316 422 G HA2 0.127 4.086 3.960 -0.000 0.000 0.203 422 G HA3 0.127 4.086 3.960 -0.000 0.000 0.203 422 G C 0.251 175.253 174.900 0.171 0.000 0.999 422 G CA 0.628 45.800 45.100 0.121 0.000 0.649 422 G HN 2.428 nan 8.290 nan 0.000 0.489 423 S N -1.049 114.771 115.700 0.200 0.000 2.636 423 S HA 0.662 5.132 4.470 -0.000 0.000 0.268 423 S C -0.779 173.973 174.600 0.254 0.000 1.159 423 S CA -0.714 57.647 58.200 0.268 0.000 0.815 423 S CB 1.203 64.640 63.200 0.395 0.000 1.130 423 S HN 0.760 nan 8.310 nan 0.000 0.471 424 I N 1.510 122.273 120.570 0.323 0.000 2.241 424 I HA 0.394 4.564 4.170 -0.000 0.000 0.294 424 I C -0.067 176.221 176.117 0.284 0.000 1.145 424 I CA 0.176 61.660 61.300 0.307 0.000 1.261 424 I CB -0.208 38.002 38.000 0.349 0.000 1.475 424 I HN 0.569 nan 8.210 nan 0.000 0.533 425 E N 3.887 124.173 120.200 0.143 0.000 2.340 425 E HA 0.365 4.715 4.350 -0.000 0.000 0.273 425 E C -0.682 175.923 176.600 0.009 0.000 0.891 425 E CA -0.997 55.408 56.400 0.009 0.000 0.757 425 E CB 3.247 32.949 29.700 0.004 0.000 1.231 425 E HN 0.303 nan 8.360 nan 0.000 0.439 426 V N 0.009 119.892 119.914 -0.052 0.000 2.901 426 V HA 0.389 4.509 4.120 -0.000 0.000 0.307 426 V C 1.072 177.158 176.094 -0.014 0.000 1.084 426 V CA 0.971 63.243 62.300 -0.048 0.000 1.184 426 V CB 0.231 31.980 31.823 -0.125 0.000 0.941 426 V HN 1.026 nan 8.190 nan 0.000 0.493 427 G N 2.689 111.495 108.800 0.010 0.000 2.253 427 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.251 427 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.251 427 G C 0.342 175.275 174.900 0.054 0.000 0.998 427 G CA 0.490 45.610 45.100 0.032 0.000 0.621 427 G HN 0.911 nan 8.290 nan 0.000 0.524 428 K N -0.015 120.422 120.400 0.061 0.000 2.098 428 K HA 0.577 4.897 4.320 -0.000 0.000 0.257 428 K C 0.292 176.939 176.600 0.079 0.000 0.999 428 K CA -0.960 55.371 56.287 0.073 0.000 0.924 428 K CB 1.395 33.948 32.500 0.088 0.000 1.028 428 K HN 0.134 nan 8.250 nan 0.000 0.466 429 L N 1.829 123.096 121.223 0.074 0.000 2.525 429 L HA -0.026 4.314 4.340 -0.000 0.000 0.278 429 L C 0.002 176.926 176.870 0.090 0.000 1.218 429 L CA 0.757 55.641 54.840 0.073 0.000 0.878 429 L CB 0.422 42.520 42.059 0.064 0.000 1.127 429 L HN 0.749 nan 8.230 nan 0.000 0.492 430 A N 3.898 126.771 122.820 0.088 0.000 3.048 430 A HA 0.158 4.478 4.320 -0.000 0.000 0.264 430 A C -0.324 177.315 177.584 0.090 0.000 1.796 430 A CA -0.363 51.730 52.037 0.094 0.000 1.445 430 A CB -1.187 17.866 19.000 0.089 0.000 1.074 430 A HN 0.688 nan 8.150 nan 0.000 0.621 431 D N 1.399 121.860 120.400 0.102 0.000 2.428 431 D HA 0.522 5.162 4.640 -0.000 0.000 0.221 431 D C -0.295 176.072 176.300 0.112 0.000 1.123 431 D CA 0.456 54.516 54.000 0.101 0.000 0.869 431 D CB 0.822 41.691 40.800 0.115 0.000 1.032 431 D HN 0.400 nan 8.370 nan 0.000 0.506 432 L N 1.069 122.346 121.223 0.089 0.000 2.354 432 L HA 0.663 5.003 4.340 -0.000 0.000 0.264 432 L C -0.500 176.391 176.870 0.035 0.000 1.008 432 L CA -1.202 53.694 54.840 0.094 0.000 0.819 432 L CB 2.373 44.489 42.059 0.095 0.000 1.339 432 L HN -0.100 nan 8.230 nan 0.000 0.420 433 V N 1.925 121.855 119.914 0.026 0.000 2.588 433 V HA 0.442 4.562 4.120 -0.000 0.000 0.304 433 V C -0.376 175.575 176.094 -0.238 0.000 1.042 433 V CA -0.696 61.489 62.300 -0.192 0.000 0.877 433 V CB 2.250 33.904 31.823 -0.281 0.000 0.996 433 V HN 0.406 nan 8.190 nan 0.000 0.425 434 V N 3.848 123.568 119.914 -0.323 0.000 2.394 434 V HA 0.514 4.634 4.120 -0.000 0.000 0.282 434 V C -0.937 175.020 176.094 -0.228 0.000 1.031 434 V CA -0.475 61.743 62.300 -0.138 0.000 0.881 434 V CB 1.335 33.131 31.823 -0.046 0.000 0.982 434 V HN 0.912 nan 8.190 nan 0.000 0.451 435 W N 2.081 123.453 121.300 0.119 0.000 2.819 435 W HA 0.630 5.290 4.660 -0.000 0.000 0.337 435 W C 0.297 176.908 176.519 0.153 0.000 1.077 435 W CA -0.631 56.796 57.345 0.136 0.000 1.226 435 W CB 1.776 31.350 29.460 0.189 0.000 1.419 435 W HN 0.467 nan 8.180 nan 0.000 0.502 436 S N 2.527 118.475 115.700 0.413 0.000 2.537 436 S HA 0.279 4.749 4.470 -0.000 0.000 0.275 436 S C -1.469 173.333 174.600 0.338 0.000 1.272 436 S CA -1.204 57.188 58.200 0.320 0.000 1.050 436 S CB 1.068 64.462 63.200 0.323 0.000 0.961 436 S HN 0.231 nan 8.310 nan 0.000 0.496 437 P HA -0.093 nan 4.420 nan 0.000 0.217 437 P C 1.074 178.397 177.300 0.038 0.000 1.148 437 P CA 1.524 64.671 63.100 0.079 0.000 0.828 437 P CB 0.034 31.731 31.700 -0.004 0.000 0.783 438 A N -2.386 120.474 122.820 0.067 0.000 2.119 438 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 438 A C 1.230 178.648 177.584 -0.276 0.000 1.153 438 A CA 1.084 53.054 52.037 -0.113 0.000 0.692 438 A CB -1.189 17.714 19.000 -0.162 0.000 0.799 438 A HN 0.173 nan 8.150 nan 0.000 0.458 439 F N -2.361 117.659 119.950 0.116 0.000 2.735 439 F HA 0.326 4.853 4.527 -0.000 0.000 0.308 439 F C 0.238 176.037 175.800 -0.003 0.000 1.112 439 F CA -1.234 56.789 58.000 0.037 0.000 1.235 439 F CB 0.046 39.126 39.000 0.132 0.000 1.027 439 F HN 0.158 nan 8.300 nan 0.000 0.528 440 F N 1.436 121.336 119.950 -0.083 0.000 2.612 440 F HA 0.349 4.876 4.527 -0.000 0.000 0.389 440 F C 1.376 176.772 175.800 -0.673 0.000 1.055 440 F CA 1.120 58.861 58.000 -0.432 0.000 1.232 440 F CB 0.471 39.145 39.000 -0.543 0.000 1.044 440 F HN 0.327 nan 8.300 nan 0.000 0.560 441 G N 3.380 110.970 108.800 -2.016 0.000 2.184 441 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.264 441 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.264 441 G C 0.510 175.183 174.900 -0.380 0.000 0.975 441 G CA 0.503 44.856 45.100 -1.244 0.000 0.642 441 G HN 0.771 nan 8.290 nan 0.000 0.536 442 V N -0.904 118.908 119.914 -0.171 0.000 2.840 442 V HA 0.391 4.511 4.120 -0.000 0.000 0.234 442 V C 0.955 177.166 176.094 0.196 0.000 1.159 442 V CA 1.736 64.025 62.300 -0.018 0.000 1.194 442 V CB 0.422 31.998 31.823 -0.411 0.000 0.971 442 V HN 0.269 nan 8.190 nan 0.000 0.494 443 K N 1.062 121.653 120.400 0.317 0.000 2.637 443 K HA 0.454 4.774 4.320 -0.000 0.000 0.248 443 K C -2.955 173.831 176.600 0.309 0.000 0.971 443 K CA -1.579 54.883 56.287 0.291 0.000 0.858 443 K CB 2.710 35.343 32.500 0.222 0.000 1.170 443 K HN 0.137 nan 8.250 nan 0.000 0.443 444 P HA 0.074 nan 4.420 nan 0.000 0.274 444 P C -0.112 177.152 177.300 -0.061 0.000 1.231 444 P CA -0.125 62.803 63.100 -0.286 0.000 0.790 444 P CB 1.117 32.427 31.700 -0.650 0.000 0.951 445 A N 1.485 124.224 122.820 -0.134 0.000 1.943 445 A HA 0.172 4.492 4.320 -0.000 0.000 0.213 445 A C 0.442 177.961 177.584 -0.107 0.000 1.181 445 A CA 1.399 53.375 52.037 -0.101 0.000 0.653 445 A CB -0.349 18.623 19.000 -0.048 0.000 0.833 445 A HN 0.553 nan 8.150 nan 0.000 0.451 446 T N -0.737 113.732 114.554 -0.141 0.000 3.041 446 T HA 0.501 4.851 4.350 -0.000 0.000 0.321 446 T C -1.353 173.261 174.700 -0.143 0.000 1.184 446 T CA -0.393 61.646 62.100 -0.102 0.000 1.050 446 T CB 1.942 70.770 68.868 -0.067 0.000 1.159 446 T HN 0.019 nan 8.240 nan 0.000 0.469 447 V N 3.926 123.790 119.914 -0.083 0.000 2.376 447 V HA 0.497 4.617 4.120 -0.000 0.000 0.287 447 V C -0.346 175.734 176.094 -0.023 0.000 1.015 447 V CA -0.728 61.523 62.300 -0.081 0.000 0.834 447 V CB 1.052 32.832 31.823 -0.071 0.000 1.001 447 V HN 0.785 nan 8.190 nan 0.000 0.428 448 I N 4.849 125.413 120.570 -0.009 0.000 2.353 448 I HA 0.477 4.646 4.170 -0.000 0.000 0.293 448 I C 0.189 176.330 176.117 0.040 0.000 0.992 448 I CA -0.411 60.902 61.300 0.021 0.000 1.268 448 I CB 1.258 39.275 38.000 0.028 0.000 1.387 448 I HN 0.376 nan 8.210 nan 0.000 0.478 449 K N 4.294 124.722 120.400 0.047 0.000 2.450 449 K HA 0.343 4.663 4.320 -0.000 0.000 0.257 449 K C 0.412 177.049 176.600 0.062 0.000 0.953 449 K CA -0.336 55.985 56.287 0.057 0.000 0.844 449 K CB 1.849 34.381 32.500 0.053 0.000 1.103 449 K HN 0.915 nan 8.250 nan 0.000 0.429 450 G N 1.952 110.791 108.800 0.065 0.000 2.258 450 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.274 450 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.274 450 G C 0.711 175.659 174.900 0.079 0.000 1.021 450 G CA 0.992 46.134 45.100 0.070 0.000 0.798 450 G HN 1.097 nan 8.290 nan 0.000 0.507 451 G N -2.148 106.693 108.800 0.068 0.000 2.175 451 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.244 451 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.244 451 G C 0.188 175.115 174.900 0.045 0.000 0.982 451 G CA 0.763 45.898 45.100 0.058 0.000 0.641 451 G HN 1.092 nan 8.290 nan 0.000 0.527 452 M N 0.506 120.136 119.600 0.051 0.000 2.395 452 M HA 0.509 4.989 4.480 -0.000 0.000 0.307 452 M C 0.255 176.585 176.300 0.050 0.000 1.091 452 M CA -0.848 54.481 55.300 0.049 0.000 0.919 452 M CB 2.219 34.855 32.600 0.060 0.000 1.662 452 M HN 0.051 nan 8.290 nan 0.000 0.440 453 I N 1.999 122.599 120.570 0.051 0.000 2.598 453 I HA 0.003 4.173 4.170 -0.000 0.000 0.284 453 I C 0.971 177.116 176.117 0.047 0.000 1.140 453 I CA 0.187 61.511 61.300 0.041 0.000 1.420 453 I CB 0.975 38.998 38.000 0.039 0.000 1.387 453 I HN 0.896 nan 8.210 nan 0.000 0.553 454 A N 7.305 130.143 122.820 0.030 0.000 2.085 454 A HA 0.415 4.735 4.320 -0.000 0.000 0.208 454 A C 0.644 178.234 177.584 0.010 0.000 1.191 454 A CA 0.514 52.565 52.037 0.023 0.000 0.799 454 A CB 0.456 19.472 19.000 0.027 0.000 0.877 454 A HN 0.658 nan 8.150 nan 0.000 0.473 455 I N -1.940 118.641 120.570 0.019 0.000 2.842 455 I HA 0.590 4.760 4.170 -0.000 0.000 0.297 455 I C -1.438 174.719 176.117 0.066 0.000 1.380 455 I CA -0.477 60.850 61.300 0.044 0.000 1.018 455 I CB 2.165 40.206 38.000 0.068 0.000 1.311 455 I HN 0.248 nan 8.210 nan 0.000 0.439 456 A N 5.876 128.734 122.820 0.064 0.000 2.601 456 A HA 0.836 5.156 4.320 -0.000 0.000 0.291 456 A C -3.116 174.317 177.584 -0.252 0.000 1.075 456 A CA -1.177 50.844 52.037 -0.027 0.000 0.671 456 A CB 1.678 20.634 19.000 -0.072 0.000 1.277 456 A HN 0.310 nan 8.150 nan 0.000 0.417 457 P HA 0.535 nan 4.420 nan 0.000 0.275 457 P C -0.783 176.285 177.300 -0.387 0.000 1.227 457 P CA 0.040 62.704 63.100 -0.726 0.000 0.781 457 P CB 0.627 31.908 31.700 -0.700 0.000 0.906 458 M N 2.710 122.090 119.600 -0.366 0.000 2.324 458 M HA 0.598 5.078 4.480 -0.000 0.000 0.288 458 M C -0.251 175.884 176.300 -0.275 0.000 1.097 458 M CA -0.408 54.729 55.300 -0.271 0.000 0.928 458 M CB 1.530 33.986 32.600 -0.239 0.000 1.648 458 M HN 0.415 nan 8.290 nan 0.000 0.460 459 G N 1.182 109.873 108.800 -0.182 0.000 2.510 459 G HA2 0.256 4.216 3.960 -0.000 0.000 0.280 459 G HA3 0.256 4.216 3.960 -0.000 0.000 0.280 459 G C -0.880 173.955 174.900 -0.109 0.000 1.386 459 G CA -0.563 44.456 45.100 -0.135 0.000 1.047 459 G HN 0.741 nan 8.290 nan 0.000 0.527 460 D N -0.021 120.342 120.400 -0.061 0.000 2.662 460 D HA -0.097 4.543 4.640 -0.000 0.000 0.237 460 D C 1.767 178.042 176.300 -0.041 0.000 1.154 460 D CA -0.264 53.714 54.000 -0.036 0.000 0.861 460 D CB 0.258 41.046 40.800 -0.019 0.000 1.146 460 D HN 0.044 nan 8.370 nan 0.000 0.518 461 I N 3.691 124.237 120.570 -0.039 0.000 2.361 461 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 461 I C 1.845 177.951 176.117 -0.019 0.000 1.133 461 I CA 1.028 62.308 61.300 -0.035 0.000 1.413 461 I CB -1.106 36.875 38.000 -0.031 0.000 1.073 461 I HN 0.450 nan 8.210 nan 0.000 0.424 462 N N 0.823 119.515 118.700 -0.013 0.000 2.336 462 N HA 0.139 4.879 4.740 -0.000 0.000 0.189 462 N C 0.641 176.146 175.510 -0.008 0.000 1.113 462 N CA 0.142 53.188 53.050 -0.007 0.000 0.858 462 N CB 0.261 38.746 38.487 -0.003 0.000 0.970 462 N HN 0.268 nan 8.380 nan 0.000 0.471 463 A N -0.492 122.320 122.820 -0.013 0.000 2.327 463 A HA 0.260 4.580 4.320 -0.000 0.000 0.255 463 A C 1.356 178.933 177.584 -0.011 0.000 1.099 463 A CA 0.200 52.229 52.037 -0.013 0.000 0.801 463 A CB 0.051 19.040 19.000 -0.018 0.000 1.062 463 A HN 0.459 nan 8.150 nan 0.000 0.496 464 S N -0.562 115.132 115.700 -0.010 0.000 2.522 464 S HA 0.207 4.677 4.470 -0.000 0.000 0.227 464 S C 0.511 175.106 174.600 -0.009 0.000 0.986 464 S CA 0.878 59.073 58.200 -0.008 0.000 0.929 464 S CB -0.972 62.224 63.200 -0.007 0.000 0.769 464 S HN 0.773 nan 8.310 nan 0.000 0.529 465 I N -3.059 117.504 120.570 -0.013 0.000 3.195 465 I HA 0.451 4.621 4.170 -0.000 0.000 0.313 465 I C -2.627 173.476 176.117 -0.024 0.000 1.237 465 I CA -2.694 58.597 61.300 -0.015 0.000 0.963 465 I CB 1.775 39.766 38.000 -0.015 0.000 1.278 465 I HN -0.364 nan 8.210 nan 0.000 0.460 466 P HA 0.017 nan 4.420 nan 0.000 0.249 466 P C 0.956 178.218 177.300 -0.062 0.000 1.229 466 P CA 0.665 63.738 63.100 -0.046 0.000 0.788 466 P CB 0.122 31.797 31.700 -0.042 0.000 1.072 467 T N -4.168 110.355 114.554 -0.051 0.000 3.044 467 T HA 0.198 4.548 4.350 -0.000 0.000 0.255 467 T C -1.489 173.180 174.700 -0.052 0.000 1.073 467 T CA -0.339 61.727 62.100 -0.056 0.000 1.125 467 T CB -1.964 66.878 68.868 -0.044 0.000 0.908 467 T HN 0.108 nan 8.240 nan 0.000 0.480 468 P HA 0.185 nan 4.420 nan 0.000 0.267 468 P C 0.101 177.381 177.300 -0.033 0.000 1.200 468 P CA -0.153 62.928 63.100 -0.031 0.000 0.772 468 P CB 0.359 32.045 31.700 -0.023 0.000 0.855 469 Q N 2.761 122.549 119.800 -0.021 0.000 2.454 469 Q HA 0.192 4.532 4.340 -0.000 0.000 0.247 469 Q C -1.886 174.118 176.000 0.007 0.000 1.028 469 Q CA -1.169 54.629 55.803 -0.008 0.000 0.910 469 Q CB -0.560 28.177 28.738 -0.002 0.000 1.276 469 Q HN 0.402 nan 8.270 nan 0.000 0.489 470 P HA 0.214 nan 4.420 nan 0.000 0.285 470 P C -0.855 176.481 177.300 0.061 0.000 1.259 470 P CA -0.348 62.795 63.100 0.072 0.000 0.794 470 P CB 0.940 32.718 31.700 0.130 0.000 0.940 471 V N 5.173 125.099 119.914 0.020 0.000 2.347 471 V HA 0.369 4.489 4.120 -0.000 0.000 0.280 471 V C 0.133 176.214 176.094 -0.021 0.000 1.021 471 V CA -0.148 62.101 62.300 -0.085 0.000 0.847 471 V CB 0.258 32.000 31.823 -0.136 0.000 0.990 471 V HN 0.873 nan 8.190 nan 0.000 0.444 472 H N 2.056 121.046 119.070 -0.134 0.000 3.016 472 H HA 0.636 5.192 4.556 -0.000 0.000 0.362 472 H C -1.528 173.715 175.328 -0.143 0.000 1.233 472 H CA -1.127 54.867 56.048 -0.091 0.000 1.124 472 H CB 0.754 30.530 29.762 0.023 0.000 1.850 472 H HN 0.370 nan 8.280 nan 0.000 0.549 473 Y N 1.258 121.602 120.300 0.074 0.000 2.544 473 Y HA 0.254 4.804 4.550 -0.000 0.000 0.330 473 Y C 0.619 176.521 175.900 0.003 0.000 1.136 473 Y CA 0.318 58.419 58.100 0.001 0.000 1.417 473 Y CB 0.506 38.978 38.460 0.021 0.000 1.229 473 Y HN 0.380 nan 8.280 nan 0.000 0.532 474 R N 4.129 124.648 120.500 0.031 0.000 2.686 474 R HA 0.422 4.762 4.340 -0.000 0.000 0.283 474 R C -2.998 173.289 176.300 -0.022 0.000 0.978 474 R CA -2.367 53.726 56.100 -0.012 0.000 0.897 474 R CB 1.542 31.768 30.300 -0.125 0.000 1.192 474 R HN 0.321 nan 8.270 nan 0.000 0.457 475 P HA 0.047 nan 4.420 nan 0.000 0.268 475 P C -0.432 176.782 177.300 -0.143 0.000 1.204 475 P CA 0.214 63.278 63.100 -0.060 0.000 0.768 475 P CB 0.613 32.278 31.700 -0.058 0.000 0.842 476 M N 1.796 121.315 119.600 -0.135 0.000 2.840 476 M HA 0.335 4.815 4.480 -0.000 0.000 0.283 476 M C 1.324 177.479 176.300 -0.243 0.000 1.136 476 M CA -0.727 54.436 55.300 -0.228 0.000 0.857 476 M CB -0.402 32.153 32.600 -0.076 0.000 1.644 476 M HN 0.212 nan 8.290 nan 0.000 0.520 477 F N 0.707 120.641 119.950 -0.026 0.000 2.202 477 F HA -0.077 4.450 4.527 -0.000 0.000 0.301 477 F C 2.256 178.038 175.800 -0.031 0.000 1.082 477 F CA 1.637 59.618 58.000 -0.031 0.000 1.313 477 F CB -1.150 37.829 39.000 -0.035 0.000 1.024 477 F HN 0.751 nan 8.300 nan 0.000 0.495 478 G N -0.745 108.131 108.800 0.127 0.000 2.559 478 G HA2 0.008 3.968 3.960 -0.000 0.000 0.216 478 G HA3 0.008 3.968 3.960 -0.000 0.000 0.216 478 G C 1.545 176.464 174.900 0.032 0.000 1.126 478 G CA 0.635 45.779 45.100 0.074 0.000 0.778 478 G HN 0.445 nan 8.290 nan 0.000 0.543 479 A N -0.371 122.450 122.820 0.002 0.000 2.348 479 A HA 0.590 4.910 4.320 -0.000 0.000 0.224 479 A C 0.656 178.212 177.584 -0.046 0.000 1.227 479 A CA -0.341 51.684 52.037 -0.020 0.000 0.885 479 A CB 0.148 19.134 19.000 -0.025 0.000 0.933 479 A HN 0.249 nan 8.150 nan 0.000 0.506 480 L N -0.246 120.952 121.223 -0.042 0.000 2.312 480 L HA 0.447 4.787 4.340 -0.000 0.000 0.281 480 L C 1.737 178.544 176.870 -0.105 0.000 1.070 480 L CA -0.146 54.661 54.840 -0.056 0.000 0.805 480 L CB 1.076 43.127 42.059 -0.013 0.000 1.174 480 L HN 0.513 nan 8.230 nan 0.000 0.434 481 G N 2.363 111.078 108.800 -0.142 0.000 2.896 481 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.412 481 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.412 481 G C 1.182 175.791 174.900 -0.486 0.000 0.986 481 G CA 1.165 46.117 45.100 -0.246 0.000 0.812 481 G HN 0.651 nan 8.290 nan 0.000 0.907 482 S N 0.735 116.275 115.700 -0.265 0.000 2.423 482 S HA 0.110 4.580 4.470 -0.000 0.000 0.231 482 S C 2.713 177.271 174.600 -0.069 0.000 1.014 482 S CA 1.721 59.829 58.200 -0.155 0.000 0.965 482 S CB -0.429 62.774 63.200 0.005 0.000 0.785 482 S HN 1.107 nan 8.310 nan 0.000 0.495 483 A N 1.904 124.688 122.820 -0.060 0.000 1.930 483 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 483 A C 2.082 179.681 177.584 0.025 0.000 1.175 483 A CA 1.165 53.203 52.037 0.002 0.000 0.627 483 A CB -0.465 18.547 19.000 0.020 0.000 0.815 483 A HN 0.401 nan 8.150 nan 0.000 0.443 484 R N -0.686 119.776 120.500 -0.063 0.000 2.073 484 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 484 R C 1.970 178.295 176.300 0.042 0.000 1.134 484 R CA 1.985 58.061 56.100 -0.040 0.000 0.952 484 R CB -0.581 29.651 30.300 -0.114 0.000 0.850 484 R HN 0.782 nan 8.270 nan 0.000 0.433 485 H N -2.052 117.042 119.070 0.041 0.000 2.390 485 H HA -0.192 4.364 4.556 -0.000 0.000 0.298 485 H C 2.009 177.352 175.328 0.024 0.000 1.106 485 H CA 1.682 57.741 56.048 0.019 0.000 1.297 485 H CB -0.152 29.622 29.762 0.018 0.000 1.375 485 H HN 0.454 nan 8.280 nan 0.000 0.509 486 H N -0.741 118.389 119.070 0.100 0.000 2.495 486 H HA 0.006 4.562 4.556 -0.000 0.000 0.287 486 H C 1.194 176.539 175.328 0.028 0.000 1.033 486 H CA 1.010 57.088 56.048 0.049 0.000 1.307 486 H CB 0.237 30.019 29.762 0.033 0.000 1.401 486 H HN 0.309 nan 8.280 nan 0.000 0.555 487 C N 1.379 120.760 119.300 0.135 0.000 2.974 487 C HA 0.280 4.740 4.460 -0.000 0.000 0.282 487 C C 0.651 175.662 174.990 0.035 0.000 1.292 487 C CA -0.382 58.689 59.018 0.088 0.000 1.710 487 C CB -1.204 26.596 27.740 0.099 0.000 2.036 487 C HN 0.518 nan 8.230 nan 0.000 0.629 488 R N 0.076 120.583 120.500 0.010 0.000 2.919 488 R HA 0.848 5.188 4.340 -0.000 0.000 0.260 488 R C -1.543 174.696 176.300 -0.103 0.000 1.067 488 R CA -0.679 55.409 56.100 -0.021 0.000 1.003 488 R CB 0.971 31.277 30.300 0.011 0.000 1.192 488 R HN 0.089 nan 8.270 nan 0.000 0.488 489 L N 0.629 121.739 121.223 -0.189 0.000 2.381 489 L HA 0.464 4.803 4.340 -0.000 0.000 0.268 489 L C -0.728 175.868 176.870 -0.457 0.000 0.997 489 L CA -0.903 53.707 54.840 -0.384 0.000 0.818 489 L CB 2.800 44.472 42.059 -0.645 0.000 1.310 489 L HN 0.744 nan 8.230 nan 0.000 0.416 490 T N 2.385 116.707 114.554 -0.387 0.000 2.772 490 T HA 0.507 4.857 4.350 -0.000 0.000 0.288 490 T C -0.509 174.030 174.700 -0.268 0.000 0.994 490 T CA -0.282 61.670 62.100 -0.247 0.000 0.951 490 T CB 0.229 69.021 68.868 -0.127 0.000 0.933 490 T HN 0.070 nan 8.240 nan 0.000 0.447 491 F N 3.464 123.434 119.950 0.032 0.000 2.427 491 F HA 0.505 5.032 4.527 -0.000 0.000 0.352 491 F C 0.468 176.296 175.800 0.045 0.000 1.100 491 F CA -0.806 57.221 58.000 0.046 0.000 1.191 491 F CB 0.488 39.526 39.000 0.064 0.000 1.128 491 F HN 0.203 nan 8.300 nan 0.000 0.533 492 L N 1.822 123.176 121.223 0.219 0.000 2.301 492 L HA 0.541 4.881 4.340 -0.000 0.000 0.264 492 L C -0.077 176.873 176.870 0.134 0.000 1.016 492 L CA -1.101 53.820 54.840 0.135 0.000 0.821 492 L CB 2.344 44.447 42.059 0.074 0.000 1.346 492 L HN 0.649 nan 8.230 nan 0.000 0.429 493 S N -0.441 115.316 115.700 0.094 0.000 2.617 493 S HA 0.180 4.650 4.470 -0.000 0.000 0.269 493 S C 0.521 175.157 174.600 0.059 0.000 1.292 493 S CA -0.622 57.624 58.200 0.076 0.000 1.010 493 S CB 1.489 64.722 63.200 0.056 0.000 0.944 493 S HN 0.675 nan 8.310 nan 0.000 0.536 494 Q N 1.121 120.949 119.800 0.047 0.000 2.152 494 Q HA -0.156 4.184 4.340 -0.000 0.000 0.206 494 Q C 2.436 178.450 176.000 0.024 0.000 0.985 494 Q CA 1.748 57.571 55.803 0.033 0.000 0.863 494 Q CB -0.617 28.133 28.738 0.019 0.000 0.904 494 Q HN 0.932 nan 8.270 nan 0.000 0.422 495 A N 0.958 123.791 122.820 0.022 0.000 1.877 495 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 495 A C 2.305 179.899 177.584 0.016 0.000 1.186 495 A CA 1.562 53.609 52.037 0.016 0.000 0.620 495 A CB -0.905 18.104 19.000 0.014 0.000 0.822 495 A HN 0.406 nan 8.150 nan 0.000 0.443 496 A N -0.076 122.758 122.820 0.022 0.000 1.877 496 A HA 0.133 4.453 4.320 -0.000 0.000 0.216 496 A C 2.529 180.122 177.584 0.014 0.000 1.186 496 A CA 2.248 54.296 52.037 0.018 0.000 0.620 496 A CB -1.110 17.905 19.000 0.025 0.000 0.822 496 A HN 1.092 nan 8.150 nan 0.000 0.443 497 A N -0.111 122.722 122.820 0.022 0.000 1.883 497 A HA 0.098 4.418 4.320 -0.000 0.000 0.217 497 A C 2.528 180.118 177.584 0.010 0.000 1.186 497 A CA 2.363 54.411 52.037 0.017 0.000 0.624 497 A CB -1.094 17.923 19.000 0.029 0.000 0.822 497 A HN 1.122 nan 8.150 nan 0.000 0.444 498 A N 0.135 122.961 122.820 0.011 0.000 1.933 498 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 498 A C 1.728 179.314 177.584 0.003 0.000 1.175 498 A CA 1.676 53.717 52.037 0.006 0.000 0.628 498 A CB -0.612 18.392 19.000 0.006 0.000 0.814 498 A HN 0.536 nan 8.150 nan 0.000 0.444 499 N N -0.354 118.348 118.700 0.003 0.000 2.573 499 N HA 0.051 4.791 4.740 -0.000 0.000 0.187 499 N C 1.125 176.633 175.510 -0.003 0.000 1.107 499 N CA 1.116 54.166 53.050 0.001 0.000 0.918 499 N CB -0.205 38.283 38.487 0.002 0.000 0.966 499 N HN 0.712 nan 8.380 nan 0.000 0.448 500 G N -0.111 108.687 108.800 -0.004 0.000 2.160 500 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 500 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 500 G C 0.984 175.875 174.900 -0.014 0.000 1.022 500 G CA 0.384 45.478 45.100 -0.009 0.000 0.741 500 G HN 0.217 nan 8.290 nan 0.000 0.508 501 V N 0.173 120.079 119.914 -0.013 0.000 2.332 501 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 501 V C 3.230 179.306 176.094 -0.031 0.000 1.055 501 V CA 3.143 65.431 62.300 -0.020 0.000 1.038 501 V CB -0.928 30.887 31.823 -0.013 0.000 0.651 501 V HN 1.020 nan 8.190 nan 0.000 0.450 502 A N -0.208 122.594 122.820 -0.031 0.000 1.908 502 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 502 A C 2.100 179.656 177.584 -0.047 0.000 1.181 502 A CA 2.103 54.114 52.037 -0.044 0.000 0.627 502 A CB -0.448 18.527 19.000 -0.041 0.000 0.818 502 A HN 0.574 nan 8.150 nan 0.000 0.445 503 E N -0.716 119.463 120.200 -0.036 0.000 2.072 503 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 503 E C 2.156 178.736 176.600 -0.035 0.000 0.982 503 E CA 1.138 57.518 56.400 -0.033 0.000 0.803 503 E CB -0.261 29.425 29.700 -0.023 0.000 0.755 503 E HN 0.624 nan 8.360 nan 0.000 0.453 504 R N 0.337 120.817 120.500 -0.032 0.000 2.081 504 R HA -0.023 4.317 4.340 -0.000 0.000 0.235 504 R C 1.855 178.128 176.300 -0.045 0.000 1.131 504 R CA 1.048 57.128 56.100 -0.033 0.000 0.960 504 R CB -0.167 30.117 30.300 -0.027 0.000 0.856 504 R HN 0.195 nan 8.270 nan 0.000 0.436 505 L N 0.538 121.728 121.223 -0.056 0.000 2.492 505 L HA 0.013 4.353 4.340 -0.000 0.000 0.223 505 L C 0.566 177.389 176.870 -0.078 0.000 1.132 505 L CA 0.254 55.049 54.840 -0.074 0.000 0.850 505 L CB -0.349 41.658 42.059 -0.086 0.000 0.966 505 L HN 0.451 nan 8.230 nan 0.000 0.454 506 N N 1.214 119.874 118.700 -0.068 0.000 2.746 506 N HA -0.176 4.564 4.740 -0.000 0.000 0.250 506 N C -0.570 174.880 175.510 -0.100 0.000 1.055 506 N CA -0.143 52.864 53.050 -0.072 0.000 0.699 506 N CB -0.431 38.020 38.487 -0.061 0.000 0.919 506 N HN 0.029 nan 8.380 nan 0.000 0.548 507 L N 1.648 122.807 121.223 -0.106 0.000 2.410 507 L HA 0.134 4.474 4.340 -0.000 0.000 0.273 507 L C 1.783 178.550 176.870 -0.172 0.000 1.152 507 L CA 0.568 55.322 54.840 -0.143 0.000 0.855 507 L CB 1.088 43.076 42.059 -0.119 0.000 1.129 507 L HN 0.171 nan 8.230 nan 0.000 0.463 508 R N 0.426 120.755 120.500 -0.284 0.000 2.210 508 R HA 0.161 4.501 4.340 -0.000 0.000 0.203 508 R C 0.598 176.734 176.300 -0.274 0.000 1.010 508 R CA 0.193 56.086 56.100 -0.345 0.000 1.008 508 R CB -0.012 29.886 30.300 -0.671 0.000 0.923 508 R HN 0.613 nan 8.270 nan 0.000 0.469 509 S N 0.237 115.784 115.700 -0.255 0.000 2.624 509 S HA 0.531 5.001 4.470 -0.000 0.000 0.263 509 S C 0.096 174.629 174.600 -0.112 0.000 1.287 509 S CA -0.529 57.603 58.200 -0.113 0.000 0.990 509 S CB 1.193 64.340 63.200 -0.088 0.000 0.950 509 S HN 0.376 nan 8.310 nan 0.000 0.561 510 A N 1.474 124.223 122.820 -0.118 0.000 2.462 510 A HA 0.451 4.771 4.320 -0.000 0.000 0.243 510 A C -0.127 177.365 177.584 -0.153 0.000 1.076 510 A CA -0.172 51.780 52.037 -0.142 0.000 0.773 510 A CB -0.209 18.686 19.000 -0.175 0.000 1.010 510 A HN 0.584 nan 8.150 nan 0.000 0.493 511 I N 0.779 121.275 120.570 -0.122 0.000 2.460 511 I HA 0.626 4.796 4.170 -0.000 0.000 0.298 511 I C 0.511 176.574 176.117 -0.089 0.000 0.989 511 I CA -0.188 61.045 61.300 -0.111 0.000 1.173 511 I CB 1.202 39.167 38.000 -0.059 0.000 1.338 511 I HN 0.744 nan 8.210 nan 0.000 0.456 512 A N 5.698 128.464 122.820 -0.089 0.000 2.435 512 A HA 0.802 5.122 4.320 -0.000 0.000 0.304 512 A C -1.125 176.590 177.584 0.218 0.000 1.064 512 A CA -0.512 51.554 52.037 0.049 0.000 0.727 512 A CB 1.774 20.746 19.000 -0.046 0.000 1.284 512 A HN 0.371 nan 8.150 nan 0.000 0.415 513 V N 1.965 122.052 119.914 0.289 0.000 2.581 513 V HA 0.563 4.683 4.120 -0.000 0.000 0.303 513 V C 0.355 176.655 176.094 0.343 0.000 1.041 513 V CA -0.524 61.931 62.300 0.259 0.000 0.907 513 V CB 1.603 33.511 31.823 0.143 0.000 0.994 513 V HN 1.080 nan 8.190 nan 0.000 0.442 514 V N 2.650 122.715 119.914 0.251 0.000 2.785 514 V HA 0.826 4.946 4.120 -0.000 0.000 0.300 514 V C -0.407 175.741 176.094 0.089 0.000 1.062 514 V CA -0.488 61.933 62.300 0.201 0.000 1.029 514 V CB 1.076 32.969 31.823 0.116 0.000 1.024 514 V HN 1.079 nan 8.190 nan 0.000 0.477 515 K N 1.834 122.257 120.400 0.038 0.000 2.598 515 K HA 0.666 4.986 4.320 -0.000 0.000 0.271 515 K C 0.048 176.625 176.600 -0.039 0.000 0.947 515 K CA -0.523 55.742 56.287 -0.037 0.000 0.854 515 K CB 1.320 33.749 32.500 -0.118 0.000 1.401 515 K HN 2.004 nan 8.250 nan 0.000 0.415 516 G N 0.818 109.593 108.800 -0.041 0.000 2.142 516 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.225 516 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.225 516 G C 0.581 175.455 174.900 -0.045 0.000 1.015 516 G CA 0.105 45.180 45.100 -0.041 0.000 0.716 516 G HN 0.676 nan 8.290 nan 0.000 0.508 517 C N -0.204 119.067 119.300 -0.048 0.000 2.464 517 C HA 0.123 4.582 4.460 -0.000 0.000 0.278 517 C C 2.648 177.589 174.990 -0.081 0.000 1.375 517 C CA 1.126 60.099 59.018 -0.076 0.000 1.761 517 C CB -0.481 27.215 27.740 -0.073 0.000 1.944 517 C HN 0.590 nan 8.230 nan 0.000 0.509 518 R N 1.334 121.798 120.500 -0.061 0.000 2.127 518 R HA -0.024 4.316 4.340 -0.000 0.000 0.217 518 R C 2.070 178.338 176.300 -0.052 0.000 1.074 518 R CA 1.719 57.785 56.100 -0.056 0.000 0.991 518 R CB -1.554 28.720 30.300 -0.044 0.000 0.895 518 R HN 0.698 nan 8.270 nan 0.000 0.450 519 T N -0.395 114.130 114.554 -0.049 0.000 3.067 519 T HA 0.053 4.403 4.350 -0.000 0.000 0.261 519 T C 1.253 175.925 174.700 -0.048 0.000 1.110 519 T CA 0.073 62.148 62.100 -0.043 0.000 1.113 519 T CB -0.554 68.292 68.868 -0.037 0.000 0.917 519 T HN 0.033 nan 8.240 nan 0.000 0.499 520 V N 1.473 121.351 119.914 -0.060 0.000 2.715 520 V HA 0.515 4.635 4.120 -0.000 0.000 0.299 520 V C -0.356 175.698 176.094 -0.067 0.000 1.054 520 V CA -1.053 61.207 62.300 -0.067 0.000 1.077 520 V CB 0.471 32.242 31.823 -0.085 0.000 0.972 520 V HN 0.708 nan 8.190 nan 0.000 0.484 521 Q N 1.885 121.649 119.800 -0.060 0.000 2.553 521 Q HA 0.525 4.865 4.340 -0.000 0.000 0.293 521 Q C 0.371 176.338 176.000 -0.055 0.000 1.038 521 Q CA -1.109 54.662 55.803 -0.053 0.000 0.777 521 Q CB 1.613 30.329 28.738 -0.037 0.000 1.487 521 Q HN 0.384 nan 8.270 nan 0.000 0.426 522 K N 0.958 121.330 120.400 -0.047 0.000 2.089 522 K HA -0.174 4.146 4.320 -0.000 0.000 0.210 522 K C 1.768 178.346 176.600 -0.037 0.000 1.048 522 K CA 2.528 58.789 56.287 -0.045 0.000 0.926 522 K CB -0.898 31.584 32.500 -0.030 0.000 0.714 522 K HN 0.690 nan 8.250 nan 0.000 0.448 523 A N 0.492 123.295 122.820 -0.028 0.000 2.070 523 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 523 A C 1.395 178.961 177.584 -0.030 0.000 1.159 523 A CA 1.894 53.918 52.037 -0.021 0.000 0.656 523 A CB -0.398 18.593 19.000 -0.016 0.000 0.800 523 A HN 0.407 nan 8.150 nan 0.000 0.453 524 D N -0.616 119.757 120.400 -0.044 0.000 2.348 524 D HA 0.039 4.679 4.640 -0.000 0.000 0.211 524 D C 0.355 176.607 176.300 -0.080 0.000 0.998 524 D CA 0.254 54.219 54.000 -0.057 0.000 0.873 524 D CB -0.101 40.664 40.800 -0.059 0.000 0.925 524 D HN 0.286 nan 8.370 nan 0.000 0.524 525 M N 1.746 121.299 119.600 -0.077 0.000 2.251 525 M HA 0.055 4.535 4.480 -0.000 0.000 0.346 525 M C 0.025 176.260 176.300 -0.108 0.000 1.499 525 M CA -0.183 55.062 55.300 -0.093 0.000 1.128 525 M CB 0.728 33.283 32.600 -0.075 0.000 1.809 525 M HN -0.322 nan 8.290 nan 0.000 0.464 526 V N 6.476 126.280 119.914 -0.184 0.000 2.475 526 V HA -0.086 4.034 4.120 -0.000 0.000 0.292 526 V C 1.126 177.096 176.094 -0.208 0.000 1.003 526 V CA 0.372 62.483 62.300 -0.315 0.000 1.120 526 V CB -0.903 30.610 31.823 -0.517 0.000 0.937 526 V HN 0.900 nan 8.190 nan 0.000 0.476 527 H N 2.614 121.692 119.070 0.014 0.000 3.366 527 H HA -0.162 4.394 4.556 -0.000 0.000 0.233 527 H C 0.567 175.913 175.328 0.030 0.000 1.102 527 H CA 1.378 57.459 56.048 0.054 0.000 1.184 527 H CB -1.282 28.437 29.762 -0.072 0.000 1.216 527 H HN 0.845 nan 8.280 nan 0.000 0.317 528 N N 0.117 118.866 118.700 0.082 0.000 2.711 528 N HA 0.155 4.895 4.740 -0.000 0.000 0.263 528 N C 0.143 175.664 175.510 0.018 0.000 1.667 528 N CA 0.644 53.718 53.050 0.040 0.000 0.785 528 N CB 1.101 39.586 38.487 -0.003 0.000 1.231 528 N HN 0.290 nan 8.380 nan 0.000 0.503 529 S N -0.777 114.946 115.700 0.038 0.000 2.629 529 S HA 0.135 4.605 4.470 -0.000 0.000 0.236 529 S C 0.396 175.009 174.600 0.022 0.000 1.010 529 S CA -0.393 57.818 58.200 0.017 0.000 0.981 529 S CB 0.332 63.543 63.200 0.019 0.000 0.919 529 S HN 0.251 nan 8.310 nan 0.000 0.514 530 L N 2.907 124.151 121.223 0.036 0.000 2.513 530 L HA 0.290 4.630 4.340 -0.000 0.000 0.272 530 L C -0.134 176.749 176.870 0.021 0.000 1.187 530 L CA 0.989 55.849 54.840 0.033 0.000 0.895 530 L CB 0.272 42.359 42.059 0.047 0.000 1.147 530 L HN 0.298 nan 8.230 nan 0.000 0.483 531 Q N 7.277 127.082 119.800 0.008 0.000 2.571 531 Q HA 0.386 4.726 4.340 -0.000 0.000 0.243 531 Q C -2.209 173.786 176.000 -0.009 0.000 1.055 531 Q CA -1.730 54.069 55.803 -0.007 0.000 0.815 531 Q CB 0.983 29.705 28.738 -0.027 0.000 1.151 531 Q HN 0.556 nan 8.270 nan 0.000 0.519 532 P HA 0.066 nan 4.420 nan 0.000 0.277 532 P C -0.618 176.678 177.300 -0.007 0.000 1.240 532 P CA -0.493 62.612 63.100 0.008 0.000 0.798 532 P CB 0.899 32.617 31.700 0.029 0.000 0.979 533 N N 2.136 120.830 118.700 -0.009 0.000 2.807 533 N HA 0.159 4.899 4.740 -0.000 0.000 0.259 533 N C -0.547 174.964 175.510 0.000 0.000 1.149 533 N CA -0.238 52.803 53.050 -0.017 0.000 1.042 533 N CB -0.995 37.482 38.487 -0.016 0.000 1.367 533 N HN 0.410 nan 8.380 nan 0.000 0.516 534 I N 2.125 122.701 120.570 0.010 0.000 2.437 534 I HA 0.470 4.640 4.170 -0.000 0.000 0.298 534 I C -0.383 175.752 176.117 0.029 0.000 0.984 534 I CA -0.312 61.005 61.300 0.027 0.000 1.214 534 I CB 1.124 39.155 38.000 0.052 0.000 1.365 534 I HN 0.462 nan 8.210 nan 0.000 0.469 535 T N 3.849 118.420 114.554 0.028 0.000 2.903 535 T HA 0.685 5.035 4.350 -0.000 0.000 0.299 535 T C -0.933 173.786 174.700 0.033 0.000 1.093 535 T CA -0.730 61.386 62.100 0.026 0.000 1.002 535 T CB 1.840 70.716 68.868 0.014 0.000 1.127 535 T HN 0.286 nan 8.240 nan 0.000 0.488 536 V N 1.734 121.669 119.914 0.036 0.000 2.531 536 V HA 0.406 4.526 4.120 -0.000 0.000 0.301 536 V C -0.433 175.691 176.094 0.049 0.000 1.034 536 V CA -0.898 61.432 62.300 0.051 0.000 0.865 536 V CB 1.769 33.629 31.823 0.063 0.000 0.995 536 V HN 1.071 nan 8.190 nan 0.000 0.424 537 D N 3.519 123.952 120.400 0.055 0.000 2.339 537 D HA 0.244 4.884 4.640 -0.000 0.000 0.256 537 D C 1.126 177.468 176.300 0.071 0.000 1.214 537 D CA 0.385 54.404 54.000 0.033 0.000 0.877 537 D CB 2.114 42.916 40.800 0.004 0.000 1.111 537 D HN 0.677 nan 8.370 nan 0.000 0.478 538 A N 4.255 127.098 122.820 0.038 0.000 1.986 538 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 538 A C 1.898 179.516 177.584 0.057 0.000 1.171 538 A CA 1.665 53.741 52.037 0.064 0.000 0.640 538 A CB -0.100 18.889 19.000 -0.018 0.000 0.811 538 A HN 0.697 nan 8.150 nan 0.000 0.451 539 Q N -1.401 118.355 119.800 -0.074 0.000 2.178 539 Q HA -0.010 4.330 4.340 -0.000 0.000 0.195 539 Q C 2.180 177.875 176.000 -0.509 0.000 0.960 539 Q CA 1.553 57.224 55.803 -0.220 0.000 0.843 539 Q CB -0.253 28.402 28.738 -0.139 0.000 0.927 539 Q HN 0.746 nan 8.270 nan 0.000 0.487 540 T N -2.858 111.499 114.554 -0.328 0.000 3.081 540 T HA -0.027 4.323 4.350 -0.000 0.000 0.255 540 T C -0.139 174.415 174.700 -0.244 0.000 1.113 540 T CA 0.147 62.052 62.100 -0.325 0.000 1.082 540 T CB -0.050 68.736 68.868 -0.136 0.000 0.939 540 T HN 0.281 nan 8.240 nan 0.000 0.506 541 Y N 0.484 120.775 120.300 -0.015 0.000 4.881 541 Y HA -0.196 4.354 4.550 -0.000 0.000 0.241 541 Y C 0.281 176.169 175.900 -0.021 0.000 0.985 541 Y CA -0.305 57.785 58.100 -0.016 0.000 1.976 541 Y CB -2.945 35.503 38.460 -0.020 0.000 1.528 541 Y HN 0.511 nan 8.280 nan 0.000 0.581 542 E N 0.404 120.661 120.200 0.095 0.000 2.384 542 E HA 0.352 4.702 4.350 -0.000 0.000 0.266 542 E C 0.013 176.640 176.600 0.044 0.000 1.012 542 E CA -0.116 56.313 56.400 0.049 0.000 0.901 542 E CB 1.120 30.830 29.700 0.017 0.000 0.967 542 E HN 0.034 nan 8.360 nan 0.000 0.435 543 V N 4.517 124.448 119.914 0.028 0.000 2.439 543 V HA 0.375 4.495 4.120 -0.000 0.000 0.282 543 V C 0.146 176.250 176.094 0.016 0.000 1.039 543 V CA -0.437 61.877 62.300 0.023 0.000 0.913 543 V CB 1.137 32.966 31.823 0.010 0.000 0.983 543 V HN 0.612 nan 8.190 nan 0.000 0.460 544 R N 2.898 123.409 120.500 0.018 0.000 2.673 544 R HA 0.761 5.101 4.340 -0.000 0.000 0.281 544 R C -1.756 174.553 176.300 0.015 0.000 0.991 544 R CA -0.731 55.377 56.100 0.014 0.000 0.896 544 R CB 2.655 32.961 30.300 0.011 0.000 1.201 544 R HN 0.491 nan 8.270 nan 0.000 0.457 545 V N 3.081 123.003 119.914 0.013 0.000 2.407 545 V HA 0.169 4.289 4.120 -0.000 0.000 0.291 545 V C -0.267 175.832 176.094 0.009 0.000 1.018 545 V CA -0.523 61.785 62.300 0.013 0.000 0.842 545 V CB 1.549 33.382 31.823 0.016 0.000 0.996 545 V HN 0.868 nan 8.190 nan 0.000 0.426 546 D N 4.285 124.688 120.400 0.005 0.000 2.837 546 D HA -0.211 4.429 4.640 -0.000 0.000 0.230 546 D C 1.355 177.657 176.300 0.003 0.000 1.152 546 D CA 1.805 55.806 54.000 0.002 0.000 0.736 546 D CB -1.084 39.717 40.800 0.003 0.000 1.084 546 D HN 1.383 nan 8.370 nan 0.000 0.429 547 G N -0.043 108.759 108.800 0.004 0.000 2.253 547 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.251 547 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.251 547 G C 0.138 175.040 174.900 0.004 0.000 0.998 547 G CA 0.715 45.817 45.100 0.003 0.000 0.621 547 G HN 0.716 nan 8.290 nan 0.000 0.524 548 E N 1.080 121.284 120.200 0.006 0.000 2.331 548 E HA 0.562 4.912 4.350 -0.000 0.000 0.272 548 E C 0.043 176.648 176.600 0.008 0.000 1.036 548 E CA -0.995 55.409 56.400 0.007 0.000 0.864 548 E CB 1.598 31.303 29.700 0.009 0.000 1.035 548 E HN 0.368 nan 8.360 nan 0.000 0.408 549 L N 4.285 125.513 121.223 0.008 0.000 2.367 549 L HA 0.196 4.536 4.340 -0.000 0.000 0.275 549 L C -0.788 176.088 176.870 0.010 0.000 1.129 549 L CA -0.145 54.700 54.840 0.009 0.000 0.839 549 L CB 0.570 42.634 42.059 0.008 0.000 1.133 549 L HN 0.576 nan 8.230 nan 0.000 0.453 550 I N 5.033 125.607 120.570 0.007 0.000 2.354 550 I HA 0.505 4.675 4.170 -0.000 0.000 0.292 550 I C 0.263 176.380 176.117 -0.000 0.000 0.989 550 I CA -0.097 61.206 61.300 0.005 0.000 1.188 550 I CB 0.870 38.869 38.000 -0.002 0.000 1.342 550 I HN 0.692 nan 8.210 nan 0.000 0.457 551 T N 4.070 118.629 114.554 0.010 0.000 2.733 551 T HA 0.642 4.992 4.350 -0.000 0.000 0.312 551 T C -1.151 173.577 174.700 0.047 0.000 1.590 551 T CA -0.334 61.776 62.100 0.015 0.000 1.005 551 T CB 1.449 70.331 68.868 0.022 0.000 1.528 551 T HN 0.791 nan 8.240 nan 0.000 0.496 552 S N 1.115 116.869 115.700 0.090 0.000 2.656 552 S HA 0.793 5.263 4.470 -0.000 0.000 0.273 552 S C -1.693 173.039 174.600 0.220 0.000 1.168 552 S CA -0.977 57.303 58.200 0.134 0.000 0.817 552 S CB 1.988 65.272 63.200 0.140 0.000 1.146 552 S HN 0.645 nan 8.310 nan 0.000 0.475 553 E N 1.884 122.169 120.200 0.142 0.000 2.204 553 E HA 0.485 4.835 4.350 -0.000 0.000 0.276 553 E C -2.612 173.921 176.600 -0.111 0.000 0.974 553 E CA -2.290 54.148 56.400 0.062 0.000 0.815 553 E CB 1.478 31.187 29.700 0.014 0.000 1.119 553 E HN 0.485 nan 8.360 nan 0.000 0.393 554 P HA 0.106 nan 4.420 nan 0.000 0.276 554 P C -0.790 176.321 177.300 -0.315 0.000 1.235 554 P CA -0.187 62.449 63.100 -0.773 0.000 0.772 554 P CB 0.739 31.843 31.700 -0.995 0.000 0.871 555 A N 3.638 126.329 122.820 -0.214 0.000 2.388 555 A HA 0.189 4.509 4.320 -0.000 0.000 0.257 555 A C 1.282 178.816 177.584 -0.083 0.000 1.095 555 A CA -0.349 51.635 52.037 -0.089 0.000 0.791 555 A CB 0.077 19.064 19.000 -0.021 0.000 1.029 555 A HN 0.657 nan 8.150 nan 0.000 0.489 556 D N 0.931 121.303 120.400 -0.046 0.000 2.323 556 D HA 0.069 4.709 4.640 -0.000 0.000 0.218 556 D C 0.156 176.447 176.300 -0.014 0.000 0.973 556 D CA 0.636 54.615 54.000 -0.035 0.000 0.890 556 D CB -0.035 40.749 40.800 -0.027 0.000 1.011 556 D HN 0.218 nan 8.370 nan 0.000 0.499 557 V N 0.941 120.855 119.914 0.001 0.000 2.789 557 V HA 0.439 4.559 4.120 -0.000 0.000 0.311 557 V C -0.526 175.578 176.094 0.017 0.000 1.073 557 V CA -0.864 61.441 62.300 0.009 0.000 0.921 557 V CB 2.680 34.510 31.823 0.010 0.000 1.009 557 V HN 0.074 nan 8.190 nan 0.000 0.426 558 L N 4.194 125.421 121.223 0.007 0.000 2.354 558 L HA 0.644 4.984 4.340 -0.000 0.000 0.264 558 L C -2.490 174.351 176.870 -0.048 0.000 1.008 558 L CA -1.733 53.098 54.840 -0.016 0.000 0.819 558 L CB 2.850 44.913 42.059 0.005 0.000 1.339 558 L HN 0.456 nan 8.230 nan 0.000 0.420 559 P HA 0.342 nan 4.420 nan 0.000 0.279 559 P C -0.341 176.965 177.300 0.010 0.000 1.282 559 P CA -0.544 62.480 63.100 -0.126 0.000 0.788 559 P CB 0.370 31.860 31.700 -0.351 0.000 1.139 560 M N -2.488 117.181 119.600 0.115 0.000 2.253 560 M HA -0.281 4.199 4.480 -0.000 0.000 0.199 560 M C 0.210 176.682 176.300 0.287 0.000 0.342 560 M CA 0.745 56.110 55.300 0.109 0.000 0.417 560 M CB -2.194 30.386 32.600 -0.033 0.000 1.338 560 M HN 0.482 nan 8.290 nan 0.000 0.920 561 A N -0.263 122.770 122.820 0.355 0.000 2.677 561 A HA 0.320 4.640 4.320 -0.000 0.000 0.197 561 A C 1.007 178.823 177.584 0.387 0.000 1.471 561 A CA 0.168 52.408 52.037 0.337 0.000 1.527 561 A CB 0.061 19.152 19.000 0.151 0.000 1.695 561 A HN 0.449 nan 8.150 nan 0.000 0.557 562 Q N -0.202 119.718 119.800 0.200 0.000 2.443 562 Q HA -0.150 4.190 4.340 -0.000 0.000 0.213 562 Q C 1.884 177.912 176.000 0.047 0.000 0.982 562 Q CA 1.439 57.323 55.803 0.135 0.000 0.894 562 Q CB -0.133 28.642 28.738 0.062 0.000 0.947 562 Q HN 0.536 nan 8.270 nan 0.000 0.480 563 R N -0.576 119.903 120.500 -0.035 0.000 2.240 563 R HA -0.087 4.253 4.340 -0.000 0.000 0.203 563 R C 0.692 176.705 176.300 -0.480 0.000 1.011 563 R CA 0.849 56.766 56.100 -0.306 0.000 1.007 563 R CB 0.320 30.323 30.300 -0.496 0.000 0.911 563 R HN 0.272 nan 8.270 nan 0.000 0.468 564 Y N -1.866 118.376 120.300 -0.097 0.000 2.483 564 Y HA 0.266 4.816 4.550 -0.000 0.000 0.258 564 Y C -0.171 175.455 175.900 -0.456 0.000 1.083 564 Y CA -0.503 57.429 58.100 -0.281 0.000 1.283 564 Y CB 0.565 38.749 38.460 -0.460 0.000 1.178 564 Y HN -0.165 nan 8.280 nan 0.000 0.515 565 F N 0.001 120.062 119.950 0.186 0.000 2.421 565 F HA 0.285 4.812 4.527 -0.000 0.000 0.337 565 F C 0.772 176.592 175.800 0.034 0.000 1.105 565 F CA -0.962 57.115 58.000 0.130 0.000 1.049 565 F CB 1.424 40.504 39.000 0.134 0.000 1.139 565 F HN -0.207 nan 8.300 nan 0.000 0.479 566 L N 2.170 123.494 121.223 0.168 0.000 2.217 566 L HA 0.165 4.505 4.340 -0.000 0.000 0.211 566 L C -0.526 176.138 176.870 -0.343 0.000 1.107 566 L CA 1.730 56.503 54.840 -0.112 0.000 0.783 566 L CB -0.402 41.583 42.059 -0.123 0.000 0.919 566 L HN 0.432 nan 8.230 nan 0.000 0.442 567 F N 0.000 120.045 119.950 0.159 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.054 58.000 0.091 0.000 1.383 567 F CB 0.000 39.034 39.000 0.057 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574