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 1zjw_1_A DATA FIRST_RESID 8 DATA SEQUENCE TNFIRQIIDE DLASGKHTTV HTRFPPEPNG YLHIGHAKSI CLNFGIAQDY DATA SEQUENCE KGQCNLRFDD TNPVKEDIEY VESIKNDVEW LGFHWSGNVR YSSDYFDQLH DATA SEQUENCE AYAIELINKG LAYVDELTPE QIREYRGTLT QPGKNSPYRD RSVEENLALF DATA SEQUENCE EKMRAGGFEE GKACLRAKID MASPFIVMRD PVLYRIKFAE HHQTGNKWCI DATA SEQUENCE YPMYDFTHCI SDALEGITHS LCTLEFQDNR RLYDWVLDNI TIPVHPRQYE DATA SEQUENCE FSRLNLEYTV MSKRKLNLLV TDKHVEGWDD PRMPTISGLR RRGYTAASIR DATA SEQUENCE EFCKRIGVTK QDNTIEMASL ESCIREDLNE NAPRAMAVID PVKLVIENYQ DATA SEQUENCE GEGEMVTMPN HPNKPEMGSR QVPFSGEIWI DRADFREEAN KQYKRLVLGK DATA SEQUENCE EVRLRNAYVI KAERVEKDAE GNITTIFCTY DADTLXXXXX XXXXXXGVIH DATA SEQUENCE WVSAAHALPV EIRLYDRLFS VPNPGAADDF LSVINPESLV IKQGFAEPSL DATA SEQUENCE KDAVAGKAFQ FEREGYFCLD SRHSTAEKPV FNRTVGLRDT 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.696 174.700 -0.006 0.000 1.109 8 T CA 0.000 62.094 62.100 -0.010 0.000 1.349 8 T CB 0.000 68.866 68.868 -0.003 0.000 0.612 9 N N 1.150 119.841 118.700 -0.015 0.000 2.934 9 N HA 0.445 5.184 4.740 -0.003 0.000 0.253 9 N C 0.617 176.144 175.510 0.029 0.000 1.466 9 N CA -0.842 52.223 53.050 0.025 0.000 0.858 9 N CB -0.030 38.442 38.487 -0.024 0.000 1.459 9 N HN 0.498 nan 8.380 nan 0.000 0.532 10 F N -0.487 119.438 119.950 -0.041 0.000 2.250 10 F HA 0.139 4.665 4.527 -0.003 0.000 0.301 10 F C 1.185 176.924 175.800 -0.102 0.000 1.077 10 F CA 0.824 58.794 58.000 -0.049 0.000 1.348 10 F CB -0.582 38.407 39.000 -0.018 0.000 1.040 10 F HN 0.416 nan 8.300 nan 0.000 0.509 11 I N 0.427 120.459 120.570 -0.897 0.000 2.233 11 I HA -0.153 4.015 4.170 -0.003 0.000 0.243 11 I C 2.638 178.462 176.117 -0.489 0.000 1.093 11 I CA 1.098 61.911 61.300 -0.812 0.000 1.380 11 I CB -0.503 37.003 38.000 -0.825 0.000 1.067 11 I HN 0.044 nan 8.210 nan 0.000 0.413 12 R N 0.455 120.760 120.500 -0.325 0.000 2.152 12 R HA -0.173 4.165 4.340 -0.003 0.000 0.232 12 R C 2.286 178.513 176.300 -0.121 0.000 1.117 12 R CA 1.190 57.179 56.100 -0.185 0.000 0.981 12 R CB -0.169 30.117 30.300 -0.023 0.000 0.870 12 R HN 0.462 nan 8.270 nan 0.000 0.451 13 Q N 0.050 119.782 119.800 -0.113 0.000 2.119 13 Q HA -0.084 4.255 4.340 -0.003 0.000 0.201 13 Q C 2.023 177.966 176.000 -0.094 0.000 0.972 13 Q CA 1.110 56.879 55.803 -0.056 0.000 0.847 13 Q CB 0.065 28.797 28.738 -0.010 0.000 0.903 13 Q HN 0.372 nan 8.270 nan 0.000 0.433 14 I N 0.320 120.775 120.570 -0.192 0.000 2.252 14 I HA -0.280 3.889 4.170 -0.003 0.000 0.245 14 I C 2.046 178.039 176.117 -0.207 0.000 1.102 14 I CA 1.034 62.200 61.300 -0.223 0.000 1.385 14 I CB -0.136 37.584 38.000 -0.465 0.000 1.064 14 I HN 0.215 nan 8.210 nan 0.000 0.414 15 I N 0.578 120.932 120.570 -0.360 0.000 2.179 15 I HA -0.322 3.846 4.170 -0.003 0.000 0.242 15 I C 2.111 178.147 176.117 -0.136 0.000 1.088 15 I CA 1.388 62.432 61.300 -0.426 0.000 1.357 15 I CB -0.538 36.968 38.000 -0.823 0.000 1.051 15 I HN 0.228 nan 8.210 nan 0.000 0.409 16 D N 0.901 121.277 120.400 -0.040 0.000 2.116 16 D HA -0.222 4.416 4.640 -0.003 0.000 0.193 16 D C 2.103 178.430 176.300 0.045 0.000 0.998 16 D CA 1.471 55.513 54.000 0.070 0.000 0.836 16 D CB -0.301 40.539 40.800 0.067 0.000 0.951 16 D HN 0.410 nan 8.370 nan 0.000 0.449 17 E N 0.116 120.326 120.200 0.018 0.000 2.153 17 E HA -0.138 4.210 4.350 -0.003 0.000 0.194 17 E C 1.494 178.121 176.600 0.046 0.000 0.988 17 E CA 0.909 57.326 56.400 0.027 0.000 0.811 17 E CB 0.091 29.801 29.700 0.018 0.000 0.746 17 E HN 0.237 nan 8.360 nan 0.000 0.466 18 D N 0.034 120.479 120.400 0.076 0.000 2.183 18 D HA -0.099 4.540 4.640 -0.003 0.000 0.203 18 D C 1.682 178.048 176.300 0.110 0.000 0.969 18 D CA 0.510 54.584 54.000 0.122 0.000 0.842 18 D CB 0.044 41.036 40.800 0.320 0.000 0.957 18 D HN 0.061 nan 8.370 nan 0.000 0.484 19 L N 0.880 122.170 121.223 0.111 0.000 2.044 19 L HA 0.028 4.367 4.340 -0.003 0.000 0.205 19 L C 2.317 179.228 176.870 0.069 0.000 1.075 19 L CA 1.096 56.001 54.840 0.108 0.000 0.747 19 L CB -1.255 40.878 42.059 0.124 0.000 0.903 19 L HN -0.072 nan 8.230 nan 0.000 0.435 20 A N -0.625 122.228 122.820 0.055 0.000 1.845 20 A HA -0.222 4.096 4.320 -0.003 0.000 0.215 20 A C 2.430 180.029 177.584 0.025 0.000 1.195 20 A CA 2.218 54.277 52.037 0.036 0.000 0.616 20 A CB -1.054 17.964 19.000 0.030 0.000 0.832 20 A HN 0.539 nan 8.150 nan 0.000 0.443 21 S N -1.495 114.217 115.700 0.021 0.000 2.500 21 S HA 0.261 4.729 4.470 -0.003 0.000 0.239 21 S C 1.531 176.129 174.600 -0.002 0.000 0.989 21 S CA 1.365 59.569 58.200 0.007 0.000 0.951 21 S CB -0.615 62.586 63.200 0.002 0.000 0.759 21 S HN 2.102 nan 8.310 nan 0.000 0.523 22 G N 1.449 110.252 108.800 0.005 0.000 2.157 22 G HA2 -0.337 3.622 3.960 -0.003 0.000 0.248 22 G HA3 -0.337 3.622 3.960 -0.003 0.000 0.248 22 G C 0.647 175.522 174.900 -0.043 0.000 0.979 22 G CA 0.536 45.635 45.100 -0.003 0.000 0.650 22 G HN 0.608 nan 8.290 nan 0.000 0.529 23 K N -0.425 119.925 120.400 -0.084 0.000 2.147 23 K HA -0.073 4.246 4.320 -0.003 0.000 0.205 23 K C 0.676 177.017 176.600 -0.431 0.000 1.049 23 K CA 1.205 57.344 56.287 -0.246 0.000 0.936 23 K CB -0.063 32.278 32.500 -0.265 0.000 0.722 23 K HN 0.564 nan 8.250 nan 0.000 0.446 24 H N -1.927 117.167 119.070 0.041 0.000 2.928 24 H HA 0.130 4.684 4.556 -0.003 0.000 0.371 24 H C 0.043 175.401 175.328 0.050 0.000 1.186 24 H CA 0.005 56.082 56.048 0.048 0.000 1.134 24 H CB 2.204 32.018 29.762 0.086 0.000 1.824 24 H HN 0.106 nan 8.280 nan 0.000 0.554 25 T N -2.543 112.125 114.554 0.191 0.000 3.058 25 T HA 0.198 4.546 4.350 -0.003 0.000 0.278 25 T C 0.296 175.063 174.700 0.111 0.000 0.974 25 T CA 0.151 62.323 62.100 0.119 0.000 0.893 25 T CB 0.145 69.062 68.868 0.081 0.000 1.138 25 T HN 0.693 nan 8.240 nan 0.000 0.529 26 T N -0.387 114.242 114.554 0.126 0.000 2.840 26 T HA 0.660 5.008 4.350 -0.003 0.000 0.317 26 T C -1.056 173.671 174.700 0.045 0.000 1.401 26 T CA -0.441 61.707 62.100 0.080 0.000 1.028 26 T CB 1.650 70.556 68.868 0.063 0.000 1.317 26 T HN 0.726 nan 8.240 nan 0.000 0.495 27 V N -0.403 119.514 119.914 0.004 0.000 2.555 27 V HA 0.824 4.942 4.120 -0.003 0.000 0.302 27 V C -1.211 174.884 176.094 0.001 0.000 1.038 27 V CA -0.557 61.721 62.300 -0.036 0.000 0.887 27 V CB 1.581 33.289 31.823 -0.192 0.000 0.991 27 V HN 1.210 nan 8.190 nan 0.000 0.434 28 H N 3.716 122.748 119.070 -0.063 0.000 3.013 28 H HA 0.667 5.221 4.556 -0.002 0.000 0.326 28 H C -0.270 175.017 175.328 -0.069 0.000 0.973 28 H CA 0.462 56.471 56.048 -0.064 0.000 1.369 28 H CB 1.731 31.456 29.762 -0.062 0.000 1.598 28 H HN 1.163 nan 8.280 nan 0.000 0.518 29 T N 1.983 116.637 114.554 0.166 0.000 2.870 29 T HA 0.766 5.114 4.350 -0.003 0.000 0.277 29 T C -0.001 174.703 174.700 0.006 0.000 1.000 29 T CA -1.064 61.062 62.100 0.043 0.000 0.982 29 T CB 2.577 71.407 68.868 -0.063 0.000 1.249 29 T HN 0.617 nan 8.240 nan 0.000 0.589 30 R N 0.077 120.545 120.500 -0.053 0.000 2.663 30 R HA 0.484 4.822 4.340 -0.003 0.000 0.267 30 R C -2.451 173.841 176.300 -0.014 0.000 1.038 30 R CA -0.964 55.084 56.100 -0.087 0.000 0.886 30 R CB 0.986 31.238 30.300 -0.080 0.000 1.249 30 R HN 0.700 nan 8.270 nan 0.000 0.463 31 F N 5.235 125.065 119.950 -0.201 0.000 2.347 31 F HA 0.568 5.094 4.527 -0.002 0.000 0.366 31 F C -2.263 173.468 175.800 -0.114 0.000 1.107 31 F CA -2.712 55.237 58.000 -0.084 0.000 1.058 31 F CB 2.086 41.118 39.000 0.052 0.000 1.236 31 F HN 0.376 nan 8.300 nan 0.000 0.456 32 P HA 0.279 nan 4.420 nan 0.000 0.201 32 P C -2.989 173.999 177.300 -0.520 0.000 1.874 32 P CA -1.536 61.300 63.100 -0.439 0.000 1.041 32 P CB 0.496 32.167 31.700 -0.049 0.000 1.827 33 P HA 0.163 nan 4.420 nan 0.000 0.275 33 P C -0.136 177.033 177.300 -0.220 0.000 1.228 33 P CA 0.054 62.815 63.100 -0.566 0.000 0.786 33 P CB 1.535 32.789 31.700 -0.743 0.000 0.927 34 E N 3.155 123.304 120.200 -0.085 0.000 2.283 34 E HA 0.179 4.527 4.350 -0.003 0.000 0.278 34 E C -1.832 174.784 176.600 0.026 0.000 1.027 34 E CA -2.437 53.984 56.400 0.036 0.000 0.843 34 E CB 0.840 30.573 29.700 0.055 0.000 1.062 34 E HN 0.296 nan 8.360 nan 0.000 0.401 35 P HA 0.078 nan 4.420 nan 0.000 0.225 35 P C -0.792 176.551 177.300 0.072 0.000 1.813 35 P CA -0.073 63.051 63.100 0.039 0.000 1.013 35 P CB -0.362 31.291 31.700 -0.078 0.000 1.961 36 N N 0.998 119.616 118.700 -0.136 0.000 2.291 36 N HA 0.295 5.034 4.740 -0.003 0.000 0.244 36 N C 0.245 175.251 175.510 -0.840 0.000 1.216 36 N CA -0.599 52.330 53.050 -0.202 0.000 0.879 36 N CB 0.872 39.345 38.487 -0.024 0.000 1.167 36 N HN 0.266 nan 8.380 nan 0.000 0.515 37 G N -0.560 107.279 108.800 -1.602 0.000 2.320 37 G HA2 0.245 4.203 3.960 -0.003 0.000 0.297 37 G HA3 0.245 4.203 3.960 -0.003 0.000 0.297 37 G C -2.081 172.131 174.900 -1.147 0.000 1.344 37 G CA -0.923 43.124 45.100 -1.755 0.000 0.851 37 G HN -0.028 nan 8.290 nan 0.000 0.567 38 Y N -0.607 118.857 120.300 -1.394 0.000 2.300 38 Y HA 0.620 5.169 4.550 -0.003 0.000 0.328 38 Y C 0.952 176.700 175.900 -0.254 0.000 1.270 38 Y CA -0.746 57.003 58.100 -0.584 0.000 1.352 38 Y CB 0.850 39.110 38.460 -0.333 0.000 1.286 38 Y HN 0.379 nan 8.280 nan 0.000 0.536 39 L N 2.792 123.992 121.223 -0.038 0.000 2.397 39 L HA 0.149 4.488 4.340 -0.003 0.000 0.271 39 L C 0.047 177.096 176.870 0.298 0.000 1.148 39 L CA -0.151 54.664 54.840 -0.042 0.000 0.825 39 L CB -0.180 41.858 42.059 -0.036 0.000 1.117 39 L HN 0.759 nan 8.230 nan 0.000 0.456 40 H N 0.356 119.833 119.070 0.677 0.000 2.754 40 H HA 0.385 4.940 4.556 -0.003 0.000 0.352 40 H C 0.873 176.345 175.328 0.240 0.000 1.213 40 H CA -1.078 55.174 56.048 0.340 0.000 1.244 40 H CB 0.160 30.064 29.762 0.237 0.000 1.843 40 H HN 0.409 nan 8.280 nan 0.000 0.587 41 I N 0.682 121.477 120.570 0.376 0.000 2.399 41 I HA -0.143 4.025 4.170 -0.003 0.000 0.254 41 I C 2.092 178.403 176.117 0.324 0.000 1.146 41 I CA 2.193 63.649 61.300 0.260 0.000 1.412 41 I CB -0.843 37.223 38.000 0.111 0.000 1.076 41 I HN 0.899 nan 8.210 nan 0.000 0.432 42 G N -1.086 107.975 108.800 0.435 0.000 2.402 42 G HA2 -0.267 3.692 3.960 -0.003 0.000 0.216 42 G HA3 -0.267 3.692 3.960 -0.003 0.000 0.216 42 G C 1.427 176.492 174.900 0.276 0.000 1.162 42 G CA 1.104 46.385 45.100 0.302 0.000 0.777 42 G HN 0.560 nan 8.290 nan 0.000 0.539 43 H N 0.552 119.844 119.070 0.370 0.000 2.421 43 H HA 0.160 4.715 4.556 -0.003 0.000 0.298 43 H C 2.847 178.210 175.328 0.058 0.000 1.087 43 H CA 0.932 57.101 56.048 0.202 0.000 1.330 43 H CB 0.086 29.917 29.762 0.116 0.000 1.388 43 H HN 0.414 nan 8.280 nan 0.000 0.526 44 A N 1.233 124.178 122.820 0.208 0.000 1.933 44 A HA -0.242 4.077 4.320 -0.003 0.000 0.218 44 A C 2.171 179.803 177.584 0.081 0.000 1.175 44 A CA 1.803 53.910 52.037 0.117 0.000 0.628 44 A CB -0.454 18.664 19.000 0.196 0.000 0.814 44 A HN 0.409 nan 8.150 nan 0.000 0.444 45 K N -0.444 120.040 120.400 0.141 0.000 2.057 45 K HA -0.134 4.184 4.320 -0.003 0.000 0.207 45 K C 2.287 178.904 176.600 0.027 0.000 1.049 45 K CA 1.661 58.002 56.287 0.090 0.000 0.931 45 K CB -0.240 32.349 32.500 0.149 0.000 0.714 45 K HN 0.404 nan 8.250 nan 0.000 0.440 46 S N 0.361 116.141 115.700 0.134 0.000 2.387 46 S HA -0.036 4.432 4.470 -0.003 0.000 0.226 46 S C 1.906 176.479 174.600 -0.045 0.000 1.026 46 S CA 0.802 59.106 58.200 0.175 0.000 0.972 46 S CB -0.204 63.273 63.200 0.462 0.000 0.814 46 S HN 0.359 nan 8.310 nan 0.000 0.477 47 I N 0.890 121.301 120.570 -0.266 0.000 2.252 47 I HA -0.198 3.971 4.170 -0.003 0.000 0.245 47 I C 2.454 178.325 176.117 -0.409 0.000 1.102 47 I CA 0.931 61.969 61.300 -0.436 0.000 1.385 47 I CB -0.482 37.155 38.000 -0.605 0.000 1.064 47 I HN 0.415 nan 8.210 nan 0.000 0.414 48 C N 0.320 119.430 119.300 -0.318 0.000 2.425 48 C HA -0.142 4.316 4.460 -0.003 0.000 0.277 48 C C 2.719 177.590 174.990 -0.198 0.000 1.280 48 C CA 0.442 59.304 59.018 -0.260 0.000 1.744 48 C CB -0.892 26.837 27.740 -0.017 0.000 1.989 48 C HN 0.474 nan 8.230 nan 0.000 0.491 49 L N 1.097 122.206 121.223 -0.190 0.000 1.976 49 L HA -0.157 4.182 4.340 -0.003 0.000 0.209 49 L C 2.474 179.238 176.870 -0.178 0.000 1.071 49 L CA 1.763 56.474 54.840 -0.215 0.000 0.746 49 L CB -0.629 41.220 42.059 -0.351 0.000 0.890 49 L HN 0.452 nan 8.230 nan 0.000 0.432 50 N N -0.398 118.207 118.700 -0.158 0.000 2.084 50 N HA -0.188 4.551 4.740 -0.003 0.000 0.190 50 N C 1.778 177.135 175.510 -0.254 0.000 1.030 50 N CA 1.605 54.544 53.050 -0.185 0.000 0.849 50 N CB -0.352 38.039 38.487 -0.161 0.000 1.012 50 N HN 0.265 nan 8.380 nan 0.000 0.423 51 F N 1.024 120.797 119.950 -0.295 0.000 2.293 51 F HA 0.082 4.607 4.527 -0.003 0.000 0.297 51 F C 2.571 178.299 175.800 -0.120 0.000 1.089 51 F CA 0.771 58.609 58.000 -0.269 0.000 1.377 51 F CB -0.656 37.956 39.000 -0.646 0.000 1.051 51 F HN 0.054 nan 8.300 nan 0.000 0.511 52 G N 0.353 109.160 108.800 0.012 0.000 2.402 52 G HA2 -0.196 3.763 3.960 -0.003 0.000 0.216 52 G HA3 -0.196 3.763 3.960 -0.003 0.000 0.216 52 G C 1.769 176.726 174.900 0.095 0.000 1.162 52 G CA 0.795 45.968 45.100 0.122 0.000 0.777 52 G HN 0.323 nan 8.290 nan 0.000 0.539 53 I N 1.321 121.905 120.570 0.023 0.000 2.226 53 I HA -0.176 3.993 4.170 -0.003 0.000 0.245 53 I C 3.294 179.472 176.117 0.101 0.000 1.100 53 I CA 0.876 62.207 61.300 0.051 0.000 1.374 53 I CB -0.181 37.739 38.000 -0.132 0.000 1.057 53 I HN 0.256 nan 8.210 nan 0.000 0.413 54 A N 1.081 123.914 122.820 0.021 0.000 1.883 54 A HA -0.284 4.035 4.320 -0.003 0.000 0.217 54 A C 2.289 179.928 177.584 0.092 0.000 1.186 54 A CA 2.093 54.144 52.037 0.022 0.000 0.624 54 A CB -0.807 18.174 19.000 -0.033 0.000 0.822 54 A HN 0.657 nan 8.150 nan 0.000 0.444 55 Q N -1.374 118.504 119.800 0.128 0.000 2.245 55 Q HA -0.133 4.205 4.340 -0.003 0.000 0.201 55 Q C 0.875 176.924 176.000 0.082 0.000 0.955 55 Q CA 1.368 57.240 55.803 0.115 0.000 0.870 55 Q CB -0.363 28.467 28.738 0.153 0.000 0.945 55 Q HN 0.455 nan 8.270 nan 0.000 0.461 56 D N 0.406 120.865 120.400 0.099 0.000 2.183 56 D HA -0.095 4.543 4.640 -0.003 0.000 0.203 56 D C 0.441 176.684 176.300 -0.095 0.000 0.969 56 D CA 0.996 54.993 54.000 -0.005 0.000 0.842 56 D CB 0.008 40.800 40.800 -0.014 0.000 0.957 56 D HN 0.381 nan 8.370 nan 0.000 0.484 57 Y N 0.616 120.895 120.300 -0.034 0.000 2.571 57 Y HA 0.168 4.716 4.550 -0.002 0.000 0.275 57 Y C 0.255 176.137 175.900 -0.030 0.000 1.179 57 Y CA -0.466 57.611 58.100 -0.038 0.000 1.242 57 Y CB 0.141 38.567 38.460 -0.056 0.000 1.126 57 Y HN -0.293 nan 8.280 nan 0.000 0.524 58 K N -0.001 120.451 120.400 0.087 0.000 3.148 58 K HA -0.183 4.135 4.320 -0.003 0.000 0.267 58 K C 0.392 177.014 176.600 0.038 0.000 0.996 58 K CA 0.821 57.135 56.287 0.045 0.000 0.737 58 K CB -1.697 30.818 32.500 0.025 0.000 1.308 58 K HN 0.615 nan 8.250 nan 0.000 0.470 59 G N -0.434 108.385 108.800 0.032 0.000 3.119 59 G HA2 0.617 4.575 3.960 -0.003 0.000 0.206 59 G HA3 0.617 4.575 3.960 -0.003 0.000 0.206 59 G C -0.764 174.068 174.900 -0.112 0.000 1.313 59 G CA -0.401 44.677 45.100 -0.038 0.000 1.010 59 G HN 0.066 nan 8.290 nan 0.000 0.578 60 Q N -1.415 118.220 119.800 -0.274 0.000 2.394 60 Q HA 0.510 4.848 4.340 -0.003 0.000 0.273 60 Q C -1.499 174.284 176.000 -0.362 0.000 1.089 60 Q CA -0.507 55.060 55.803 -0.394 0.000 0.812 60 Q CB 2.153 30.449 28.738 -0.737 0.000 1.353 60 Q HN 0.525 nan 8.270 nan 0.000 0.438 61 C N 2.787 121.975 119.300 -0.187 0.000 2.446 61 C HA 0.546 5.004 4.460 -0.003 0.000 0.329 61 C C -0.942 173.993 174.990 -0.092 0.000 1.166 61 C CA -0.552 58.330 59.018 -0.226 0.000 1.341 61 C CB 0.317 27.687 27.740 -0.616 0.000 1.970 61 C HN 0.723 nan 8.230 nan 0.000 0.452 62 N N 3.068 121.774 118.700 0.011 0.000 2.508 62 N HA 0.551 5.290 4.740 -0.003 0.000 0.285 62 N C -0.802 174.695 175.510 -0.023 0.000 1.144 62 N CA -0.427 52.669 53.050 0.078 0.000 0.978 62 N CB 1.390 39.914 38.487 0.062 0.000 1.180 62 N HN 0.688 nan 8.380 nan 0.000 0.484 63 L N 1.010 122.197 121.223 -0.061 0.000 2.280 63 L HA 0.487 4.825 4.340 -0.003 0.000 0.287 63 L C -0.321 176.250 176.870 -0.498 0.000 1.023 63 L CA -0.320 54.350 54.840 -0.284 0.000 0.819 63 L CB 0.374 42.026 42.059 -0.678 0.000 1.212 63 L HN 0.524 nan 8.230 nan 0.000 0.420 64 R N 4.343 124.526 120.500 -0.528 0.000 2.532 64 R HA 0.501 4.839 4.340 -0.003 0.000 0.297 64 R C -1.677 174.268 176.300 -0.592 0.000 0.984 64 R CA -0.552 55.256 56.100 -0.486 0.000 0.884 64 R CB 1.035 31.183 30.300 -0.253 0.000 1.182 64 R HN 0.511 nan 8.270 nan 0.000 0.442 65 F N 2.727 122.464 119.950 -0.355 0.000 2.404 65 F HA 0.170 4.696 4.527 -0.003 0.000 0.358 65 F C 0.620 176.393 175.800 -0.046 0.000 1.120 65 F CA -0.340 57.533 58.000 -0.213 0.000 1.144 65 F CB 1.169 40.062 39.000 -0.178 0.000 1.133 65 F HN 0.383 nan 8.300 nan 0.000 0.495 66 D N 3.795 124.264 120.400 0.116 0.000 2.551 66 D HA 0.004 4.642 4.640 -0.003 0.000 0.223 66 D C -0.170 176.272 176.300 0.236 0.000 1.144 66 D CA 0.015 54.112 54.000 0.161 0.000 1.025 66 D CB -0.119 40.779 40.800 0.164 0.000 1.085 66 D HN 0.430 nan 8.370 nan 0.000 0.506 67 D N 0.562 121.143 120.400 0.302 0.000 2.896 67 D HA -0.033 4.606 4.640 -0.003 0.000 0.240 67 D C 0.984 177.550 176.300 0.443 0.000 1.193 67 D CA -0.414 53.813 54.000 0.377 0.000 0.983 67 D CB -0.151 40.954 40.800 0.509 0.000 1.074 67 D HN 0.093 nan 8.370 nan 0.000 0.496 68 T N -2.651 112.112 114.554 0.348 0.000 3.105 68 T HA 0.099 4.447 4.350 -0.003 0.000 0.253 68 T C 0.424 175.244 174.700 0.200 0.000 1.047 68 T CA -0.603 61.717 62.100 0.367 0.000 0.944 68 T CB -0.243 68.794 68.868 0.282 0.000 1.016 68 T HN 0.107 nan 8.240 nan 0.000 0.544 69 N N 1.934 120.705 118.700 0.118 0.000 2.675 69 N HA 0.313 5.051 4.740 -0.003 0.000 0.254 69 N C -2.048 173.415 175.510 -0.079 0.000 1.224 69 N CA -2.262 50.776 53.050 -0.020 0.000 0.777 69 N CB 1.947 40.458 38.487 0.039 0.000 1.256 69 N HN -0.075 nan 8.380 nan 0.000 0.531 70 P HA -0.216 nan 4.420 nan 0.000 0.216 70 P C 1.360 178.589 177.300 -0.117 0.000 1.154 70 P CA 1.472 64.410 63.100 -0.271 0.000 0.865 70 P CB 0.149 31.604 31.700 -0.408 0.000 0.789 71 V N -2.102 117.757 119.914 -0.091 0.000 2.867 71 V HA -0.102 4.017 4.120 -0.003 0.000 0.260 71 V C 1.852 177.966 176.094 0.033 0.000 1.099 71 V CA 1.572 63.864 62.300 -0.014 0.000 1.122 71 V CB -1.372 30.451 31.823 -0.000 0.000 0.708 71 V HN 0.079 nan 8.190 nan 0.000 0.490 72 K N -0.012 120.414 120.400 0.044 0.000 2.358 72 K HA 0.338 4.656 4.320 -0.003 0.000 0.200 72 K C 0.259 176.944 176.600 0.141 0.000 1.030 72 K CA -0.002 56.340 56.287 0.092 0.000 1.097 72 K CB 0.644 33.192 32.500 0.080 0.000 0.862 72 K HN 0.615 nan 8.250 nan 0.000 0.534 73 E N 0.851 121.127 120.200 0.127 0.000 2.249 73 E HA 0.286 4.635 4.350 -0.003 0.000 0.263 73 E C -1.372 175.282 176.600 0.090 0.000 0.950 73 E CA -0.678 55.824 56.400 0.169 0.000 0.827 73 E CB 1.680 31.509 29.700 0.215 0.000 1.220 73 E HN -0.075 nan 8.360 nan 0.000 0.411 74 D N -0.072 120.278 120.400 -0.083 0.000 2.655 74 D HA 0.159 4.797 4.640 -0.003 0.000 0.229 74 D C -0.291 175.684 176.300 -0.541 0.000 1.229 74 D CA -0.576 53.226 54.000 -0.331 0.000 0.807 74 D CB 1.411 41.893 40.800 -0.529 0.000 1.514 74 D HN 0.332 nan 8.370 nan 0.000 0.444 75 I N 1.983 122.281 120.570 -0.453 0.000 2.614 75 I HA -0.043 4.125 4.170 -0.003 0.000 0.258 75 I C 1.734 177.612 176.117 -0.397 0.000 1.189 75 I CA 1.376 62.417 61.300 -0.431 0.000 1.462 75 I CB -0.178 37.672 38.000 -0.251 0.000 1.092 75 I HN 0.618 nan 8.210 nan 0.000 0.442 76 E N -0.596 119.337 120.200 -0.445 0.000 2.110 76 E HA -0.254 4.094 4.350 -0.003 0.000 0.193 76 E C 1.925 178.263 176.600 -0.437 0.000 0.988 76 E CA 1.283 57.435 56.400 -0.414 0.000 0.804 76 E CB -0.136 29.299 29.700 -0.442 0.000 0.745 76 E HN 0.563 nan 8.360 nan 0.000 0.458 77 Y N -0.089 119.990 120.300 -0.368 0.000 2.184 77 Y HA -0.156 4.392 4.550 -0.003 0.000 0.290 77 Y C 2.539 178.172 175.900 -0.445 0.000 1.129 77 Y CA 0.945 58.761 58.100 -0.474 0.000 1.144 77 Y CB -1.226 37.005 38.460 -0.382 0.000 0.995 77 Y HN 0.066 nan 8.280 nan 0.000 0.513 78 V N 0.046 119.731 119.914 -0.382 0.000 2.392 78 V HA -0.284 3.835 4.120 -0.003 0.000 0.249 78 V C 1.786 177.679 176.094 -0.336 0.000 1.059 78 V CA 2.353 64.250 62.300 -0.671 0.000 1.051 78 V CB -0.457 30.687 31.823 -1.131 0.000 0.658 78 V HN 0.440 nan 8.190 nan 0.000 0.455 79 E N 1.437 121.472 120.200 -0.275 0.000 2.051 79 E HA -0.186 4.162 4.350 -0.003 0.000 0.192 79 E C 2.467 178.987 176.600 -0.133 0.000 0.991 79 E CA 1.974 58.279 56.400 -0.159 0.000 0.799 79 E CB -0.333 29.276 29.700 -0.151 0.000 0.748 79 E HN 0.898 nan 8.360 nan 0.000 0.449 80 S N 0.561 116.106 115.700 -0.259 0.000 2.406 80 S HA -0.091 4.377 4.470 -0.003 0.000 0.228 80 S C 2.053 176.535 174.600 -0.196 0.000 1.020 80 S CA 0.555 58.563 58.200 -0.320 0.000 0.965 80 S CB -0.362 62.322 63.200 -0.860 0.000 0.798 80 S HN 0.156 nan 8.310 nan 0.000 0.488 81 I N 1.990 122.480 120.570 -0.133 0.000 2.252 81 I HA -0.162 4.006 4.170 -0.003 0.000 0.245 81 I C 2.556 178.725 176.117 0.086 0.000 1.102 81 I CA 1.283 62.590 61.300 0.010 0.000 1.385 81 I CB -0.240 37.856 38.000 0.159 0.000 1.064 81 I HN 0.297 nan 8.210 nan 0.000 0.414 82 K N 0.349 120.827 120.400 0.129 0.000 2.147 82 K HA -0.205 4.114 4.320 -0.003 0.000 0.205 82 K C 1.780 178.508 176.600 0.212 0.000 1.049 82 K CA 1.657 58.026 56.287 0.137 0.000 0.936 82 K CB -0.453 32.143 32.500 0.160 0.000 0.722 82 K HN 0.287 nan 8.250 nan 0.000 0.446 83 N N 1.469 120.245 118.700 0.127 0.000 2.106 83 N HA -0.159 4.579 4.740 -0.003 0.000 0.188 83 N C 1.473 177.080 175.510 0.163 0.000 1.029 83 N CA 1.567 54.692 53.050 0.126 0.000 0.848 83 N CB 0.051 38.568 38.487 0.050 0.000 1.007 83 N HN 0.062 nan 8.380 nan 0.000 0.423 84 D N -0.426 120.049 120.400 0.126 0.000 2.144 84 D HA -0.103 4.536 4.640 -0.003 0.000 0.199 84 D C 2.005 178.435 176.300 0.217 0.000 0.984 84 D CA 0.738 54.849 54.000 0.184 0.000 0.834 84 D CB -0.261 40.611 40.800 0.121 0.000 0.955 84 D HN 0.124 nan 8.370 nan 0.000 0.465 85 V N 1.319 121.324 119.914 0.151 0.000 2.343 85 V HA -0.225 3.894 4.120 -0.003 0.000 0.247 85 V C 2.338 178.482 176.094 0.084 0.000 1.051 85 V CA 1.630 63.979 62.300 0.082 0.000 1.036 85 V CB -0.397 31.498 31.823 0.121 0.000 0.654 85 V HN 0.182 nan 8.190 nan 0.000 0.451 86 E N -1.333 118.965 120.200 0.164 0.000 2.077 86 E HA -0.279 4.070 4.350 -0.003 0.000 0.193 86 E C 1.943 178.549 176.600 0.009 0.000 0.989 86 E CA 1.623 58.038 56.400 0.023 0.000 0.800 86 E CB -0.234 29.525 29.700 0.099 0.000 0.746 86 E HN 0.761 nan 8.360 nan 0.000 0.452 87 W N 1.413 122.688 121.300 -0.042 0.000 2.363 87 W HA -0.135 4.524 4.660 -0.002 0.000 0.296 87 W C 1.613 178.087 176.519 -0.075 0.000 1.212 87 W CA 1.122 58.439 57.345 -0.047 0.000 1.260 87 W CB -0.147 29.309 29.460 -0.006 0.000 1.131 87 W HN -0.020 nan 8.180 nan 0.000 0.530 88 L N 0.469 121.664 121.223 -0.048 0.000 2.353 88 L HA 0.021 4.359 4.340 -0.003 0.000 0.220 88 L C 1.821 178.392 176.870 -0.498 0.000 1.133 88 L CA 1.340 56.039 54.840 -0.235 0.000 0.798 88 L CB -1.023 41.108 42.059 0.120 0.000 0.922 88 L HN 0.367 nan 8.230 nan 0.000 0.445 89 G N -0.979 107.512 108.800 -0.514 0.000 2.135 89 G HA2 -0.225 3.734 3.960 -0.003 0.000 0.183 89 G HA3 -0.225 3.734 3.960 -0.003 0.000 0.183 89 G C -0.240 174.102 174.900 -0.930 0.000 1.004 89 G CA -0.643 44.031 45.100 -0.710 0.000 0.677 89 G HN 0.128 nan 8.290 nan 0.000 0.512 90 F N 0.925 120.541 119.950 -0.557 0.000 2.546 90 F HA 0.712 5.237 4.527 -0.002 0.000 0.320 90 F C 0.530 175.839 175.800 -0.817 0.000 1.076 90 F CA -0.937 56.687 58.000 -0.626 0.000 0.928 90 F CB 1.599 40.086 39.000 -0.854 0.000 1.189 90 F HN 0.061 nan 8.300 nan 0.000 0.465 91 H N 0.578 119.648 119.070 0.001 0.000 2.538 91 H HA 0.217 4.771 4.556 -0.003 0.000 0.353 91 H C -1.073 174.382 175.328 0.211 0.000 1.109 91 H CA -1.034 54.917 56.048 -0.161 0.000 1.192 91 H CB 1.495 31.133 29.762 -0.208 0.000 1.555 91 H HN 0.790 nan 8.280 nan 0.000 0.518 92 W N 1.290 122.847 121.300 0.429 0.000 2.298 92 W HA 0.495 5.154 4.660 -0.002 0.000 0.358 92 W C 0.212 176.870 176.519 0.231 0.000 1.241 92 W CA -1.170 56.440 57.345 0.441 0.000 1.385 92 W CB 0.334 30.017 29.460 0.372 0.000 1.225 92 W HN 0.355 nan 8.180 nan 0.000 0.654 93 S N 1.792 117.730 115.700 0.397 0.000 2.499 93 S HA 0.487 4.956 4.470 -0.003 0.000 0.275 93 S C 0.795 175.570 174.600 0.290 0.000 1.257 93 S CA 0.575 58.913 58.200 0.230 0.000 1.050 93 S CB -0.682 62.596 63.200 0.130 0.000 0.937 93 S HN 1.557 nan 8.310 nan 0.000 0.490 94 G N 5.758 114.680 108.800 0.204 0.000 2.574 94 G HA2 -0.266 3.693 3.960 -0.003 0.000 0.282 94 G HA3 -0.266 3.693 3.960 -0.003 0.000 0.282 94 G C -0.215 174.879 174.900 0.322 0.000 1.257 94 G CA -0.075 45.148 45.100 0.206 0.000 0.956 94 G HN 0.792 nan 8.290 nan 0.000 0.560 95 N N -0.458 118.398 118.700 0.261 0.000 2.424 95 N HA 0.363 5.102 4.740 -0.003 0.000 0.257 95 N C 0.629 176.271 175.510 0.219 0.000 1.250 95 N CA -0.225 52.995 53.050 0.282 0.000 0.946 95 N CB 1.047 39.645 38.487 0.186 0.000 1.175 95 N HN 0.527 nan 8.380 nan 0.000 0.477 96 V N 2.234 122.219 119.914 0.120 0.000 2.673 96 V HA 0.010 4.128 4.120 -0.003 0.000 0.303 96 V C 0.786 176.756 176.094 -0.207 0.000 1.046 96 V CA 0.178 62.332 62.300 -0.244 0.000 1.126 96 V CB 0.050 31.727 31.823 -0.245 0.000 0.934 96 V HN 0.476 nan 8.190 nan 0.000 0.487 97 R N 3.283 123.585 120.500 -0.330 0.000 2.758 97 R HA 0.634 4.973 4.340 -0.003 0.000 0.265 97 R C -1.372 174.670 176.300 -0.429 0.000 1.016 97 R CA -0.791 55.169 56.100 -0.232 0.000 1.040 97 R CB 1.129 31.371 30.300 -0.097 0.000 1.152 97 R HN 0.609 nan 8.270 nan 0.000 0.503 98 Y N -1.283 118.928 120.300 -0.148 0.000 2.470 98 Y HA 0.187 4.735 4.550 -0.002 0.000 0.341 98 Y C 1.239 176.937 175.900 -0.336 0.000 1.021 98 Y CA -0.547 57.478 58.100 -0.125 0.000 1.025 98 Y CB 2.436 40.829 38.460 -0.111 0.000 1.266 98 Y HN 0.517 nan 8.280 nan 0.000 0.448 99 S N 0.393 116.078 115.700 -0.025 0.000 2.383 99 S HA -0.216 4.252 4.470 -0.003 0.000 0.229 99 S C 2.028 176.382 174.600 -0.410 0.000 1.030 99 S CA 1.902 60.077 58.200 -0.043 0.000 1.002 99 S CB -0.319 62.939 63.200 0.096 0.000 0.829 99 S HN 0.832 nan 8.310 nan 0.000 0.467 100 S N 1.983 117.265 115.700 -0.696 0.000 2.419 100 S HA -0.157 4.311 4.470 -0.003 0.000 0.235 100 S C 1.133 175.114 174.600 -1.032 0.000 1.019 100 S CA 1.173 58.354 58.200 -1.699 0.000 0.982 100 S CB -0.520 61.907 63.200 -1.287 0.000 0.789 100 S HN 0.381 nan 8.310 nan 0.000 0.490 101 D N 0.834 120.821 120.400 -0.689 0.000 2.309 101 D HA -0.065 4.573 4.640 -0.003 0.000 0.212 101 D C 0.609 176.600 176.300 -0.515 0.000 0.968 101 D CA 0.990 54.643 54.000 -0.578 0.000 0.882 101 D CB -0.296 40.106 40.800 -0.663 0.000 0.918 101 D HN 0.632 nan 8.370 nan 0.000 0.503 102 Y N -1.074 119.135 120.300 -0.151 0.000 2.485 102 Y HA 0.160 4.708 4.550 -0.003 0.000 0.260 102 Y C 1.491 177.453 175.900 0.102 0.000 1.173 102 Y CA -0.819 57.266 58.100 -0.025 0.000 1.252 102 Y CB -0.385 38.050 38.460 -0.042 0.000 1.123 102 Y HN -0.188 nan 8.280 nan 0.000 0.524 103 F N 1.094 121.032 119.950 -0.020 0.000 2.154 103 F HA -0.255 4.270 4.527 -0.002 0.000 0.301 103 F C 1.857 177.646 175.800 -0.019 0.000 1.087 103 F CA 1.035 58.904 58.000 -0.219 0.000 1.274 103 F CB -0.713 37.896 39.000 -0.651 0.000 1.009 103 F HN 0.204 nan 8.300 nan 0.000 0.485 104 D N -0.643 120.005 120.400 0.414 0.000 2.144 104 D HA -0.158 4.481 4.640 -0.003 0.000 0.200 104 D C 2.169 178.660 176.300 0.319 0.000 0.978 104 D CA 0.942 55.204 54.000 0.438 0.000 0.833 104 D CB -0.245 40.749 40.800 0.324 0.000 0.961 104 D HN 0.265 nan 8.370 nan 0.000 0.470 105 Q N 0.326 120.275 119.800 0.250 0.000 2.046 105 Q HA -0.075 4.263 4.340 -0.003 0.000 0.200 105 Q C 2.183 178.309 176.000 0.211 0.000 0.975 105 Q CA 0.628 56.523 55.803 0.154 0.000 0.836 105 Q CB -0.242 28.605 28.738 0.183 0.000 0.896 105 Q HN 0.126 nan 8.270 nan 0.000 0.428 106 L N -0.068 121.337 121.223 0.304 0.000 2.012 106 L HA -0.218 4.120 4.340 -0.003 0.000 0.210 106 L C 2.325 179.550 176.870 0.591 0.000 1.073 106 L CA 2.199 57.276 54.840 0.394 0.000 0.748 106 L CB -1.579 40.703 42.059 0.371 0.000 0.891 106 L HN 0.459 nan 8.230 nan 0.000 0.431 107 H N -0.036 119.270 119.070 0.392 0.000 2.352 107 H HA -0.125 4.429 4.556 -0.003 0.000 0.299 107 H C 2.060 177.567 175.328 0.298 0.000 1.097 107 H CA 1.881 58.137 56.048 0.347 0.000 1.311 107 H CB 0.233 30.180 29.762 0.309 0.000 1.377 107 H HN 0.284 nan 8.280 nan 0.000 0.504 108 A N -0.363 122.541 122.820 0.139 0.000 1.898 108 A HA -0.155 4.163 4.320 -0.003 0.000 0.216 108 A C 2.033 179.585 177.584 -0.053 0.000 1.181 108 A CA 1.406 53.418 52.037 -0.041 0.000 0.620 108 A CB -1.028 17.897 19.000 -0.125 0.000 0.819 108 A HN 0.554 nan 8.150 nan 0.000 0.442 109 Y N 0.025 120.406 120.300 0.135 0.000 2.352 109 Y HA -0.040 4.508 4.550 -0.003 0.000 0.292 109 Y C 2.826 178.863 175.900 0.230 0.000 1.136 109 Y CA 0.357 58.544 58.100 0.145 0.000 1.227 109 Y CB -0.618 37.891 38.460 0.081 0.000 0.991 109 Y HN 0.343 nan 8.280 nan 0.000 0.545 110 A N 0.022 123.089 122.820 0.411 0.000 1.898 110 A HA -0.141 4.177 4.320 -0.003 0.000 0.216 110 A C 2.275 179.795 177.584 -0.106 0.000 1.181 110 A CA 1.542 53.621 52.037 0.070 0.000 0.620 110 A CB -0.975 17.986 19.000 -0.066 0.000 0.819 110 A HN 0.431 nan 8.150 nan 0.000 0.442 111 I N -0.470 120.048 120.570 -0.088 0.000 2.286 111 I HA -0.274 3.895 4.170 -0.003 0.000 0.248 111 I C 2.565 178.666 176.117 -0.028 0.000 1.115 111 I CA 1.812 63.064 61.300 -0.081 0.000 1.392 111 I CB -0.277 37.679 38.000 -0.072 0.000 1.065 111 I HN 0.576 nan 8.210 nan 0.000 0.418 112 E N 1.428 121.640 120.200 0.020 0.000 2.051 112 E HA -0.226 4.123 4.350 -0.003 0.000 0.192 112 E C 2.384 179.002 176.600 0.031 0.000 0.991 112 E CA 1.213 57.637 56.400 0.040 0.000 0.799 112 E CB -0.041 29.722 29.700 0.105 0.000 0.748 112 E HN 0.445 nan 8.360 nan 0.000 0.449 113 L N 0.617 121.866 121.223 0.043 0.000 2.042 113 L HA -0.218 4.121 4.340 -0.003 0.000 0.210 113 L C 2.621 179.497 176.870 0.010 0.000 1.076 113 L CA 1.065 55.922 54.840 0.028 0.000 0.749 113 L CB -0.439 41.653 42.059 0.056 0.000 0.893 113 L HN 0.275 nan 8.230 nan 0.000 0.432 114 I N 0.086 120.630 120.570 -0.044 0.000 2.163 114 I HA -0.347 3.821 4.170 -0.003 0.000 0.243 114 I C 2.024 178.141 176.117 0.001 0.000 1.085 114 I CA 1.818 63.092 61.300 -0.043 0.000 1.347 114 I CB -0.485 37.452 38.000 -0.106 0.000 1.044 114 I HN 0.343 nan 8.210 nan 0.000 0.408 115 N N 0.475 119.175 118.700 -0.001 0.000 2.348 115 N HA -0.181 4.558 4.740 -0.003 0.000 0.185 115 N C 1.115 176.634 175.510 0.015 0.000 1.019 115 N CA 0.839 53.895 53.050 0.010 0.000 0.880 115 N CB 0.027 38.519 38.487 0.007 0.000 0.965 115 N HN 0.376 nan 8.380 nan 0.000 0.437 116 K N -0.354 120.056 120.400 0.018 0.000 2.387 116 K HA 0.173 4.492 4.320 -0.003 0.000 0.198 116 K C 0.825 177.450 176.600 0.041 0.000 1.022 116 K CA 0.196 56.496 56.287 0.021 0.000 1.128 116 K CB 0.882 33.386 32.500 0.006 0.000 0.853 116 K HN 0.128 nan 8.250 nan 0.000 0.523 117 G N 1.635 110.465 108.800 0.049 0.000 2.153 117 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.252 117 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.252 117 G C 0.487 175.454 174.900 0.111 0.000 0.994 117 G CA 0.099 45.239 45.100 0.068 0.000 0.698 117 G HN 0.321 nan 8.290 nan 0.000 0.521 118 L N -0.326 120.977 121.223 0.133 0.000 2.653 118 L HA 0.621 4.959 4.340 -0.003 0.000 0.231 118 L C 1.056 178.073 176.870 0.245 0.000 1.153 118 L CA 0.581 55.565 54.840 0.240 0.000 0.933 118 L CB -0.007 42.219 42.059 0.279 0.000 1.175 118 L HN 0.606 nan 8.230 nan 0.000 0.473 119 A N -0.016 122.897 122.820 0.154 0.000 2.589 119 A HA 0.679 4.998 4.320 -0.003 0.000 0.296 119 A C -1.752 175.886 177.584 0.091 0.000 1.062 119 A CA -0.427 51.642 52.037 0.053 0.000 0.686 119 A CB 1.334 20.272 19.000 -0.104 0.000 1.282 119 A HN 0.182 nan 8.150 nan 0.000 0.404 120 Y N -1.240 119.002 120.300 -0.096 0.000 2.609 120 Y HA 0.708 5.257 4.550 -0.003 0.000 0.336 120 Y C -1.135 174.710 175.900 -0.092 0.000 1.129 120 Y CA -1.589 56.466 58.100 -0.074 0.000 1.040 120 Y CB 0.852 39.298 38.460 -0.023 0.000 1.310 120 Y HN 0.482 nan 8.280 nan 0.000 0.460 121 V N 3.029 122.921 119.914 -0.037 0.000 2.408 121 V HA 0.215 4.333 4.120 -0.003 0.000 0.267 121 V C -0.494 175.570 176.094 -0.049 0.000 1.047 121 V CA 0.053 62.281 62.300 -0.119 0.000 0.937 121 V CB 0.693 32.505 31.823 -0.019 0.000 0.999 121 V HN 0.771 nan 8.190 nan 0.000 0.472 122 D N 3.485 123.769 120.400 -0.194 0.000 2.163 122 D HA 0.331 4.970 4.640 -0.003 0.000 0.248 122 D C 0.434 176.553 176.300 -0.301 0.000 1.035 122 D CA -0.406 53.550 54.000 -0.074 0.000 0.872 122 D CB 1.852 42.636 40.800 -0.026 0.000 1.183 122 D HN 0.616 nan 8.370 nan 0.000 0.445 123 E N 1.517 121.399 120.200 -0.531 0.000 2.624 123 E HA 0.113 4.462 4.350 -0.003 0.000 0.210 123 E C -0.270 176.137 176.600 -0.323 0.000 0.997 123 E CA -0.525 55.509 56.400 -0.610 0.000 0.999 123 E CB 0.643 29.792 29.700 -0.918 0.000 1.040 123 E HN 0.208 nan 8.360 nan 0.000 0.469 124 L N 2.506 123.657 121.223 -0.120 0.000 2.453 124 L HA 0.039 4.378 4.340 -0.003 0.000 0.272 124 L C 1.061 177.895 176.870 -0.059 0.000 1.182 124 L CA 0.477 55.300 54.840 -0.029 0.000 0.858 124 L CB 0.619 42.614 42.059 -0.106 0.000 1.120 124 L HN 0.101 nan 8.230 nan 0.000 0.474 125 T N 2.084 116.627 114.554 -0.019 0.000 2.748 125 T HA 0.172 4.520 4.350 -0.003 0.000 0.304 125 T C -1.731 172.966 174.700 -0.004 0.000 1.041 125 T CA -1.071 61.022 62.100 -0.012 0.000 1.033 125 T CB 0.283 69.163 68.868 0.019 0.000 0.995 125 T HN 0.517 nan 8.240 nan 0.000 0.536 126 P HA -0.031 nan 4.420 nan 0.000 0.219 126 P C 1.081 178.397 177.300 0.026 0.000 1.146 126 P CA 0.950 64.056 63.100 0.010 0.000 0.808 126 P CB 0.062 31.771 31.700 0.015 0.000 0.779 127 E N -0.839 119.382 120.200 0.035 0.000 2.086 127 E HA -0.092 4.256 4.350 -0.003 0.000 0.190 127 E C 2.070 178.713 176.600 0.072 0.000 0.975 127 E CA 0.939 57.368 56.400 0.049 0.000 0.813 127 E CB -0.801 28.928 29.700 0.048 0.000 0.768 127 E HN 0.332 nan 8.360 nan 0.000 0.457 128 Q N 0.336 120.183 119.800 0.078 0.000 2.170 128 Q HA -0.066 4.272 4.340 -0.003 0.000 0.203 128 Q C 2.264 178.351 176.000 0.145 0.000 0.976 128 Q CA 0.993 56.876 55.803 0.133 0.000 0.858 128 Q CB -0.161 28.627 28.738 0.083 0.000 0.907 128 Q HN 0.328 nan 8.270 nan 0.000 0.433 129 I N 0.550 121.156 120.570 0.059 0.000 2.286 129 I HA -0.315 3.854 4.170 -0.003 0.000 0.248 129 I C 2.504 178.684 176.117 0.106 0.000 1.115 129 I CA 1.185 62.518 61.300 0.055 0.000 1.392 129 I CB 0.017 38.024 38.000 0.012 0.000 1.065 129 I HN 0.108 nan 8.210 nan 0.000 0.418 130 R N 0.779 121.332 120.500 0.088 0.000 2.073 130 R HA -0.160 4.179 4.340 -0.003 0.000 0.229 130 R C 2.082 178.440 176.300 0.097 0.000 1.120 130 R CA 1.631 57.777 56.100 0.076 0.000 0.967 130 R CB -0.152 30.179 30.300 0.051 0.000 0.862 130 R HN 0.462 nan 8.270 nan 0.000 0.436 131 E N -0.778 119.499 120.200 0.128 0.000 2.153 131 E HA -0.211 4.137 4.350 -0.003 0.000 0.194 131 E C 1.358 178.025 176.600 0.112 0.000 0.988 131 E CA 1.175 57.641 56.400 0.110 0.000 0.811 131 E CB -0.034 29.743 29.700 0.129 0.000 0.746 131 E HN 0.434 nan 8.360 nan 0.000 0.466 132 Y N 0.320 120.631 120.300 0.019 0.000 2.523 132 Y HA 0.082 4.630 4.550 -0.003 0.000 0.279 132 Y C 2.153 178.061 175.900 0.014 0.000 1.139 132 Y CA 0.259 58.370 58.100 0.018 0.000 1.296 132 Y CB 0.154 38.633 38.460 0.031 0.000 1.045 132 Y HN -0.117 nan 8.280 nan 0.000 0.538 133 R N 0.176 120.768 120.500 0.152 0.000 2.115 133 R HA 0.076 4.414 4.340 -0.003 0.000 0.230 133 R C 0.908 177.236 176.300 0.047 0.000 1.111 133 R CA 1.020 57.173 56.100 0.089 0.000 0.976 133 R CB -0.338 30.001 30.300 0.064 0.000 0.870 133 R HN 0.496 nan 8.270 nan 0.000 0.445 134 G N -0.786 108.030 108.800 0.026 0.000 2.582 134 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.222 134 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.222 134 G C -0.262 174.638 174.900 -0.000 0.000 1.311 134 G CA -0.309 44.791 45.100 0.001 0.000 0.915 134 G HN 0.404 nan 8.290 nan 0.000 0.528 135 T N -2.639 111.909 114.554 -0.010 0.000 2.773 135 T HA 0.698 5.047 4.350 -0.003 0.000 0.278 135 T C 1.691 176.380 174.700 -0.019 0.000 1.011 135 T CA -0.035 62.058 62.100 -0.013 0.000 1.014 135 T CB 1.222 70.080 68.868 -0.017 0.000 1.293 135 T HN 0.945 nan 8.240 nan 0.000 0.554 136 L N 0.692 121.901 121.223 -0.023 0.000 2.191 136 L HA 0.039 4.377 4.340 -0.003 0.000 0.212 136 L C 2.451 179.298 176.870 -0.039 0.000 1.103 136 L CA 1.662 56.482 54.840 -0.033 0.000 0.769 136 L CB -0.736 41.302 42.059 -0.035 0.000 0.908 136 L HN 1.001 nan 8.230 nan 0.000 0.438 137 T N -5.109 109.425 114.554 -0.033 0.000 3.040 137 T HA 0.225 4.573 4.350 -0.003 0.000 0.266 137 T C 0.476 175.157 174.700 -0.031 0.000 1.005 137 T CA -0.357 61.722 62.100 -0.035 0.000 0.906 137 T CB 0.405 69.254 68.868 -0.032 0.000 1.082 137 T HN 0.187 nan 8.240 nan 0.000 0.531 138 Q N 2.332 122.115 119.800 -0.028 0.000 2.323 138 Q HA 0.445 4.783 4.340 -0.003 0.000 0.271 138 Q C -2.973 173.013 176.000 -0.023 0.000 1.048 138 Q CA -2.546 53.241 55.803 -0.027 0.000 0.792 138 Q CB 2.947 31.668 28.738 -0.028 0.000 1.280 138 Q HN 0.151 nan 8.270 nan 0.000 0.441 139 P HA -0.008 nan 4.420 nan 0.000 0.269 139 P C -0.160 177.132 177.300 -0.012 0.000 1.215 139 P CA 0.164 63.256 63.100 -0.014 0.000 0.780 139 P CB 0.835 32.526 31.700 -0.014 0.000 0.898 140 G N 1.826 110.628 108.800 0.003 0.000 2.535 140 G HA2 0.512 4.470 3.960 -0.003 0.000 0.282 140 G HA3 0.512 4.470 3.960 -0.003 0.000 0.282 140 G C -0.555 174.353 174.900 0.014 0.000 1.350 140 G CA -0.682 44.428 45.100 0.016 0.000 1.039 140 G HN 0.688 nan 8.290 nan 0.000 0.509 141 K N -1.135 119.292 120.400 0.044 0.000 2.477 141 K HA 0.310 4.629 4.320 -0.003 0.000 0.255 141 K C -0.877 175.832 176.600 0.182 0.000 0.952 141 K CA -0.870 55.447 56.287 0.049 0.000 0.826 141 K CB 1.892 34.351 32.500 -0.068 0.000 1.331 141 K HN 0.459 nan 8.250 nan 0.000 0.437 142 N N 1.233 120.005 118.700 0.121 0.000 2.447 142 N HA -0.065 4.673 4.740 -0.003 0.000 0.263 142 N C -0.249 175.366 175.510 0.176 0.000 1.226 142 N CA 0.069 53.181 53.050 0.103 0.000 0.906 142 N CB 0.798 39.292 38.487 0.012 0.000 1.060 142 N HN 0.586 nan 8.380 nan 0.000 0.468 143 S N 2.964 118.706 115.700 0.071 0.000 2.573 143 S HA 0.082 4.550 4.470 -0.003 0.000 0.277 143 S C -1.147 173.377 174.600 -0.127 0.000 1.346 143 S CA -1.315 56.824 58.200 -0.102 0.000 1.034 143 S CB 0.655 63.843 63.200 -0.020 0.000 0.879 143 S HN 0.463 nan 8.310 nan 0.000 0.528 144 P HA 0.005 nan 4.420 nan 0.000 0.233 144 P C 0.032 177.047 177.300 -0.474 0.000 1.167 144 P CA 0.962 63.828 63.100 -0.391 0.000 0.770 144 P CB -0.132 31.248 31.700 -0.533 0.000 0.837 145 Y N -0.824 119.431 120.300 -0.074 0.000 2.458 145 Y HA 0.318 4.866 4.550 -0.003 0.000 0.256 145 Y C 2.580 178.373 175.900 -0.179 0.000 1.159 145 Y CA -0.361 57.709 58.100 -0.050 0.000 1.261 145 Y CB -0.584 37.895 38.460 0.032 0.000 1.119 145 Y HN -0.192 nan 8.280 nan 0.000 0.524 146 R N 0.727 121.051 120.500 -0.294 0.000 2.193 146 R HA -0.121 4.218 4.340 -0.003 0.000 0.229 146 R C 0.095 176.076 176.300 -0.532 0.000 1.110 146 R CA 1.537 57.143 56.100 -0.823 0.000 0.988 146 R CB 0.031 29.975 30.300 -0.593 0.000 0.871 146 R HN 0.229 nan 8.270 nan 0.000 0.458 147 D N 0.377 120.637 120.400 -0.234 0.000 2.525 147 D HA 0.055 4.694 4.640 -0.003 0.000 0.229 147 D C -0.222 176.051 176.300 -0.045 0.000 1.202 147 D CA -0.036 53.888 54.000 -0.127 0.000 0.828 147 D CB 0.289 41.036 40.800 -0.089 0.000 1.008 147 D HN 0.148 nan 8.370 nan 0.000 0.493 148 R N 0.940 121.437 120.500 -0.005 0.000 2.784 148 R HA 0.126 4.464 4.340 -0.003 0.000 0.266 148 R C 1.077 177.404 176.300 0.044 0.000 1.044 148 R CA 0.035 56.165 56.100 0.050 0.000 1.151 148 R CB 0.456 30.820 30.300 0.107 0.000 1.037 148 R HN 0.072 nan 8.270 nan 0.000 0.478 149 S N -0.066 115.662 115.700 0.046 0.000 2.600 149 S HA 0.027 4.496 4.470 -0.003 0.000 0.265 149 S C 1.514 176.144 174.600 0.049 0.000 1.325 149 S CA -0.933 57.291 58.200 0.040 0.000 1.002 149 S CB 1.086 64.307 63.200 0.035 0.000 0.921 149 S HN 0.362 nan 8.310 nan 0.000 0.554 150 V N 1.748 121.686 119.914 0.040 0.000 2.287 150 V HA -0.179 3.939 4.120 -0.003 0.000 0.248 150 V C 2.649 178.770 176.094 0.045 0.000 1.053 150 V CA 2.462 64.787 62.300 0.040 0.000 1.027 150 V CB -1.347 30.494 31.823 0.030 0.000 0.646 150 V HN 0.875 nan 8.190 nan 0.000 0.447 151 E N 0.151 120.376 120.200 0.042 0.000 2.085 151 E HA -0.220 4.128 4.350 -0.003 0.000 0.194 151 E C 2.173 178.807 176.600 0.057 0.000 0.994 151 E CA 1.586 58.013 56.400 0.044 0.000 0.801 151 E CB -0.326 29.396 29.700 0.036 0.000 0.743 151 E HN 0.696 nan 8.360 nan 0.000 0.453 152 E N 0.216 120.453 120.200 0.063 0.000 2.051 152 E HA -0.156 4.193 4.350 -0.003 0.000 0.192 152 E C 1.926 178.585 176.600 0.097 0.000 0.991 152 E CA 1.162 57.609 56.400 0.078 0.000 0.799 152 E CB -0.292 29.458 29.700 0.082 0.000 0.748 152 E HN 0.321 nan 8.360 nan 0.000 0.449 153 N N 0.518 119.275 118.700 0.094 0.000 2.104 153 N HA -0.177 4.561 4.740 -0.003 0.000 0.190 153 N C 1.712 177.294 175.510 0.119 0.000 1.024 153 N CA 0.612 53.720 53.050 0.096 0.000 0.853 153 N CB -0.047 38.480 38.487 0.066 0.000 1.008 153 N HN -0.019 nan 8.380 nan 0.000 0.424 154 L N 1.092 122.376 121.223 0.101 0.000 2.012 154 L HA -0.126 4.212 4.340 -0.003 0.000 0.210 154 L C 2.288 179.246 176.870 0.147 0.000 1.073 154 L CA 1.525 56.442 54.840 0.129 0.000 0.748 154 L CB -1.121 40.987 42.059 0.082 0.000 0.891 154 L HN 0.164 nan 8.230 nan 0.000 0.431 155 A N -1.322 121.562 122.820 0.108 0.000 1.877 155 A HA -0.173 4.145 4.320 -0.003 0.000 0.216 155 A C 2.132 179.787 177.584 0.118 0.000 1.186 155 A CA 1.543 53.633 52.037 0.088 0.000 0.620 155 A CB -0.782 18.257 19.000 0.065 0.000 0.822 155 A HN 0.325 nan 8.150 nan 0.000 0.443 156 L N -1.724 119.596 121.223 0.162 0.000 2.083 156 L HA -0.088 4.250 4.340 -0.003 0.000 0.209 156 L C 2.231 179.278 176.870 0.295 0.000 1.083 156 L CA 1.458 56.444 54.840 0.243 0.000 0.752 156 L CB -1.350 40.847 42.059 0.230 0.000 0.899 156 L HN 0.503 nan 8.230 nan 0.000 0.433 157 F N 0.855 120.841 119.950 0.061 0.000 2.146 157 F HA -0.185 4.340 4.527 -0.003 0.000 0.298 157 F C 2.513 178.339 175.800 0.042 0.000 1.096 157 F CA 1.596 59.606 58.000 0.017 0.000 1.275 157 F CB -0.221 38.755 39.000 -0.040 0.000 1.008 157 F HN 0.194 nan 8.300 nan 0.000 0.480 158 E N 0.684 120.888 120.200 0.007 0.000 2.150 158 E HA -0.186 4.162 4.350 -0.003 0.000 0.193 158 E C 2.225 178.771 176.600 -0.089 0.000 0.985 158 E CA 1.278 57.618 56.400 -0.100 0.000 0.814 158 E CB -0.409 29.279 29.700 -0.020 0.000 0.752 158 E HN 0.208 nan 8.360 nan 0.000 0.466 159 K N -0.060 120.338 120.400 -0.003 0.000 2.026 159 K HA -0.112 4.206 4.320 -0.003 0.000 0.208 159 K C 2.133 178.758 176.600 0.042 0.000 1.048 159 K CA 1.566 57.839 56.287 -0.023 0.000 0.929 159 K CB -0.235 32.235 32.500 -0.050 0.000 0.713 159 K HN 0.280 nan 8.250 nan 0.000 0.439 160 M N 0.040 119.741 119.600 0.169 0.000 2.080 160 M HA -0.186 4.292 4.480 -0.003 0.000 0.260 160 M C 2.427 178.686 176.300 -0.068 0.000 1.068 160 M CA 1.564 56.959 55.300 0.159 0.000 1.109 160 M CB -0.337 32.321 32.600 0.097 0.000 1.342 160 M HN 0.080 nan 8.290 nan 0.000 0.405 161 R N 0.414 120.766 120.500 -0.246 0.000 2.081 161 R HA -0.113 4.226 4.340 -0.003 0.000 0.235 161 R C 1.927 178.101 176.300 -0.209 0.000 1.131 161 R CA 1.708 57.623 56.100 -0.309 0.000 0.960 161 R CB -0.254 29.769 30.300 -0.462 0.000 0.856 161 R HN 0.393 nan 8.270 nan 0.000 0.436 162 A N -0.565 122.164 122.820 -0.152 0.000 2.209 162 A HA 0.115 4.434 4.320 -0.003 0.000 0.212 162 A C 1.327 178.898 177.584 -0.021 0.000 1.158 162 A CA 1.115 53.087 52.037 -0.108 0.000 0.742 162 A CB -0.143 18.796 19.000 -0.101 0.000 0.790 162 A HN 0.578 nan 8.150 nan 0.000 0.472 163 G N -2.479 106.349 108.800 0.048 0.000 2.141 163 G HA2 -0.117 3.841 3.960 -0.003 0.000 0.231 163 G HA3 -0.117 3.841 3.960 -0.003 0.000 0.231 163 G C 1.038 176.048 174.900 0.183 0.000 0.984 163 G CA 0.361 45.605 45.100 0.240 0.000 0.660 163 G HN 1.284 nan 8.290 nan 0.000 0.525 164 G N -0.777 108.040 108.800 0.028 0.000 2.848 164 G HA2 0.390 4.349 3.960 -0.003 0.000 0.208 164 G HA3 0.390 4.349 3.960 -0.003 0.000 0.208 164 G C 0.209 174.979 174.900 -0.217 0.000 1.152 164 G CA 0.268 45.289 45.100 -0.133 0.000 0.789 164 G HN 0.397 nan 8.290 nan 0.000 0.531 165 F N 0.353 120.371 119.950 0.113 0.000 2.520 165 F HA 0.419 4.944 4.527 -0.003 0.000 0.322 165 F C 0.366 176.292 175.800 0.210 0.000 1.103 165 F CA -1.444 56.619 58.000 0.105 0.000 0.926 165 F CB 1.745 40.778 39.000 0.055 0.000 1.154 165 F HN -0.005 nan 8.300 nan 0.000 0.453 166 E N 1.177 121.612 120.200 0.393 0.000 2.392 166 E HA 0.138 4.486 4.350 -0.003 0.000 0.256 166 E C -0.544 176.246 176.600 0.316 0.000 1.145 166 E CA -0.597 56.007 56.400 0.340 0.000 0.929 166 E CB 0.559 30.376 29.700 0.195 0.000 0.998 166 E HN 0.526 nan 8.360 nan 0.000 0.442 167 E N -0.103 120.285 120.200 0.314 0.000 2.414 167 E HA 0.064 4.413 4.350 -0.003 0.000 0.263 167 E C 0.766 177.425 176.600 0.099 0.000 1.000 167 E CA 0.648 57.158 56.400 0.182 0.000 0.914 167 E CB 0.383 30.196 29.700 0.189 0.000 0.948 167 E HN 0.806 nan 8.360 nan 0.000 0.444 168 G N 3.025 111.849 108.800 0.041 0.000 2.220 168 G HA2 -0.356 3.603 3.960 -0.003 0.000 0.269 168 G HA3 -0.356 3.603 3.960 -0.003 0.000 0.269 168 G C 1.051 175.929 174.900 -0.036 0.000 0.977 168 G CA 0.706 45.808 45.100 0.004 0.000 0.634 168 G HN 0.448 nan 8.290 nan 0.000 0.539 169 K N 0.586 120.968 120.400 -0.031 0.000 2.459 169 K HA 0.649 4.967 4.320 -0.003 0.000 0.193 169 K C 0.918 177.303 176.600 -0.357 0.000 1.030 169 K CA 1.247 57.481 56.287 -0.089 0.000 1.026 169 K CB 0.248 32.801 32.500 0.087 0.000 0.809 169 K HN 1.407 nan 8.250 nan 0.000 0.504 170 A N -1.007 121.585 122.820 -0.381 0.000 2.581 170 A HA 0.552 4.870 4.320 -0.003 0.000 0.294 170 A C -1.245 176.164 177.584 -0.291 0.000 1.035 170 A CA -0.733 50.986 52.037 -0.530 0.000 0.684 170 A CB 0.257 18.549 19.000 -1.180 0.000 1.282 170 A HN 0.238 nan 8.150 nan 0.000 0.417 171 C N -0.099 119.056 119.300 -0.242 0.000 3.288 171 C HA 0.870 5.328 4.460 -0.003 0.000 0.318 171 C C -1.313 173.576 174.990 -0.168 0.000 1.356 171 C CA -0.832 58.105 59.018 -0.135 0.000 1.359 171 C CB 0.602 28.273 27.740 -0.115 0.000 1.688 171 C HN 1.647 nan 8.230 nan 0.000 0.467 172 L N 2.042 123.194 121.223 -0.118 0.000 2.295 172 L HA 0.736 5.075 4.340 -0.003 0.000 0.285 172 L C 0.017 176.681 176.870 -0.343 0.000 1.035 172 L CA -0.020 54.662 54.840 -0.265 0.000 0.806 172 L CB 0.703 42.589 42.059 -0.288 0.000 1.214 172 L HN 0.799 nan 8.230 nan 0.000 0.426 173 R N 3.604 123.766 120.500 -0.563 0.000 2.740 173 R HA 0.770 5.108 4.340 -0.003 0.000 0.282 173 R C -0.875 175.158 176.300 -0.444 0.000 0.969 173 R CA -0.940 54.839 56.100 -0.535 0.000 0.918 173 R CB 1.875 31.757 30.300 -0.696 0.000 1.175 173 R HN 0.769 nan 8.270 nan 0.000 0.464 174 A N 1.798 124.466 122.820 -0.254 0.000 2.340 174 A HA 0.220 4.539 4.320 -0.003 0.000 0.268 174 A C -0.136 177.425 177.584 -0.037 0.000 1.100 174 A CA -0.318 51.638 52.037 -0.134 0.000 0.803 174 A CB 0.441 19.284 19.000 -0.262 0.000 1.043 174 A HN 0.628 nan 8.150 nan 0.000 0.488 175 K N 3.188 123.654 120.400 0.110 0.000 2.244 175 K HA 0.462 4.781 4.320 -0.003 0.000 0.263 175 K C -0.262 176.348 176.600 0.017 0.000 1.103 175 K CA -0.160 56.225 56.287 0.162 0.000 0.966 175 K CB -0.169 32.462 32.500 0.220 0.000 1.429 175 K HN 0.740 nan 8.250 nan 0.000 0.434 176 I N 0.396 120.890 120.570 -0.126 0.000 5.604 176 I HA 0.231 4.399 4.170 -0.003 0.000 0.236 176 I C -0.186 175.885 176.117 -0.078 0.000 0.847 176 I CA -0.486 60.687 61.300 -0.212 0.000 2.148 176 I CB 0.318 38.004 38.000 -0.524 0.000 1.448 176 I HN 0.401 nan 8.210 nan 0.000 0.484 177 D N 0.531 120.881 120.400 -0.082 0.000 2.386 177 D HA 0.242 4.881 4.640 -0.003 0.000 0.247 177 D C 0.446 176.742 176.300 -0.007 0.000 1.336 177 D CA -0.332 53.655 54.000 -0.022 0.000 0.976 177 D CB 1.172 41.970 40.800 -0.003 0.000 1.257 177 D HN 0.098 nan 8.370 nan 0.000 0.570 178 M N 1.750 121.355 119.600 0.008 0.000 2.629 178 M HA 0.036 4.514 4.480 -0.003 0.000 0.257 178 M C 1.194 177.505 176.300 0.018 0.000 1.071 178 M CA 0.604 55.917 55.300 0.023 0.000 1.077 178 M CB -0.876 31.749 32.600 0.041 0.000 1.423 178 M HN 0.486 nan 8.290 nan 0.000 0.508 179 A N -1.021 121.807 122.820 0.013 0.000 2.594 179 A HA 0.255 4.573 4.320 -0.003 0.000 0.287 179 A C 0.814 178.407 177.584 0.014 0.000 1.227 179 A CA -0.249 51.794 52.037 0.009 0.000 0.952 179 A CB 0.024 19.027 19.000 0.005 0.000 1.161 179 A HN 0.257 nan 8.150 nan 0.000 0.524 180 S N 1.282 117.000 115.700 0.029 0.000 2.565 180 S HA 0.314 4.782 4.470 -0.003 0.000 0.276 180 S C -0.878 173.742 174.600 0.033 0.000 1.326 180 S CA -0.976 57.259 58.200 0.058 0.000 1.045 180 S CB 0.798 64.061 63.200 0.105 0.000 0.918 180 S HN 0.317 nan 8.310 nan 0.000 0.505 181 P HA -0.013 nan 4.420 nan 0.000 0.223 181 P C -0.080 177.113 177.300 -0.179 0.000 1.151 181 P CA 0.670 63.689 63.100 -0.135 0.000 0.787 181 P CB -0.072 31.491 31.700 -0.228 0.000 0.788 182 F N 0.360 120.303 119.950 -0.011 0.000 2.438 182 F HA 0.184 4.710 4.527 -0.003 0.000 0.360 182 F C 2.066 177.855 175.800 -0.018 0.000 1.118 182 F CA -0.284 57.710 58.000 -0.011 0.000 1.164 182 F CB -0.012 38.984 39.000 -0.006 0.000 1.131 182 F HN -0.251 nan 8.300 nan 0.000 0.527 183 I N 2.399 123.047 120.570 0.130 0.000 2.454 183 I HA -0.236 3.933 4.170 -0.003 0.000 0.254 183 I C 2.228 178.389 176.117 0.074 0.000 1.156 183 I CA 0.775 62.119 61.300 0.074 0.000 1.433 183 I CB -0.251 37.773 38.000 0.040 0.000 1.082 183 I HN 0.468 nan 8.210 nan 0.000 0.432 184 V N 0.983 120.960 119.914 0.105 0.000 2.720 184 V HA -0.210 3.909 4.120 -0.003 0.000 0.256 184 V C 2.074 178.167 176.094 -0.000 0.000 1.082 184 V CA 1.402 63.737 62.300 0.060 0.000 1.101 184 V CB -0.173 31.697 31.823 0.078 0.000 0.693 184 V HN 0.352 nan 8.190 nan 0.000 0.479 185 M N -0.252 119.353 119.600 0.009 0.000 2.561 185 M HA 0.203 4.682 4.480 -0.003 0.000 0.238 185 M C 0.729 176.974 176.300 -0.091 0.000 1.131 185 M CA 0.428 55.674 55.300 -0.090 0.000 1.046 185 M CB -0.455 32.113 32.600 -0.054 0.000 1.532 185 M HN 0.208 nan 8.290 nan 0.000 0.497 186 R N 2.001 122.482 120.500 -0.032 0.000 3.710 186 R HA 0.135 4.473 4.340 -0.003 0.000 0.201 186 R C -0.738 175.545 176.300 -0.028 0.000 1.641 186 R CA -0.140 55.950 56.100 -0.017 0.000 1.390 186 R CB -0.954 29.357 30.300 0.017 0.000 1.341 186 R HN 0.148 nan 8.270 nan 0.000 0.728 187 D N 1.524 121.880 120.400 -0.073 0.000 2.812 187 D HA -0.108 4.531 4.640 -0.003 0.000 0.237 187 D C -2.224 174.019 176.300 -0.095 0.000 1.162 187 D CA 0.590 54.550 54.000 -0.066 0.000 0.740 187 D CB -0.416 40.423 40.800 0.065 0.000 1.000 187 D HN 0.364 nan 8.370 nan 0.000 0.416 188 P HA -0.014 nan 4.420 nan 0.000 0.267 188 P C 0.186 177.408 177.300 -0.129 0.000 1.200 188 P CA -0.319 62.720 63.100 -0.100 0.000 0.772 188 P CB 0.837 32.484 31.700 -0.089 0.000 0.855 189 V N 4.356 124.209 119.914 -0.101 0.000 2.555 189 V HA -0.043 4.076 4.120 -0.003 0.000 0.286 189 V C 1.695 177.701 176.094 -0.146 0.000 1.044 189 V CA 0.129 62.351 62.300 -0.130 0.000 1.026 189 V CB 0.555 32.328 31.823 -0.082 0.000 0.981 189 V HN 0.438 nan 8.190 nan 0.000 0.480 190 L N 4.738 125.824 121.223 -0.229 0.000 2.316 190 L HA 0.316 4.654 4.340 -0.003 0.000 0.207 190 L C 0.142 176.776 176.870 -0.393 0.000 1.070 190 L CA 1.112 55.723 54.840 -0.382 0.000 0.820 190 L CB -0.821 40.818 42.059 -0.701 0.000 0.992 190 L HN 0.534 nan 8.230 nan 0.000 0.466 191 Y N -0.072 120.122 120.300 -0.178 0.000 2.492 191 Y HA 0.555 5.103 4.550 -0.002 0.000 0.346 191 Y C -0.025 175.848 175.900 -0.045 0.000 0.997 191 Y CA -1.158 56.905 58.100 -0.063 0.000 1.025 191 Y CB 1.709 40.196 38.460 0.046 0.000 1.263 191 Y HN 0.032 nan 8.280 nan 0.000 0.454 192 R N 1.458 122.053 120.500 0.158 0.000 2.837 192 R HA 0.781 5.120 4.340 -0.003 0.000 0.271 192 R C -1.845 174.509 176.300 0.088 0.000 0.993 192 R CA -0.904 55.245 56.100 0.081 0.000 0.931 192 R CB 1.633 31.961 30.300 0.048 0.000 1.206 192 R HN 0.519 nan 8.270 nan 0.000 0.474 193 I N 1.414 121.995 120.570 0.018 0.000 2.365 193 I HA 0.339 4.507 4.170 -0.003 0.000 0.291 193 I C -0.323 175.750 176.117 -0.073 0.000 1.004 193 I CA -0.430 60.827 61.300 -0.072 0.000 1.311 193 I CB 1.154 39.094 38.000 -0.101 0.000 1.401 193 I HN 0.459 nan 8.210 nan 0.000 0.491 194 K N 6.608 126.937 120.400 -0.117 0.000 2.656 194 K HA 0.326 4.644 4.320 -0.003 0.000 0.253 194 K C -1.393 175.175 176.600 -0.054 0.000 1.002 194 K CA -0.524 55.753 56.287 -0.017 0.000 0.880 194 K CB 1.612 34.172 32.500 0.099 0.000 1.232 194 K HN 0.304 nan 8.250 nan 0.000 0.456 195 F N 2.468 122.518 119.950 0.168 0.000 2.605 195 F HA 0.322 4.847 4.527 -0.003 0.000 0.352 195 F C 0.527 176.406 175.800 0.132 0.000 1.236 195 F CA -0.333 57.755 58.000 0.146 0.000 1.267 195 F CB 0.654 39.709 39.000 0.093 0.000 1.632 195 F HN 0.424 nan 8.300 nan 0.000 0.639 196 A N 1.861 124.837 122.820 0.260 0.000 2.455 196 A HA 0.456 4.775 4.320 -0.003 0.000 0.300 196 A C -0.566 177.133 177.584 0.192 0.000 1.040 196 A CA -0.830 51.307 52.037 0.168 0.000 0.697 196 A CB 0.942 19.977 19.000 0.059 0.000 1.265 196 A HN 0.466 nan 8.150 nan 0.000 0.407 197 E N 1.891 122.181 120.200 0.149 0.000 2.376 197 E HA 0.076 4.424 4.350 -0.003 0.000 0.266 197 E C -0.614 176.065 176.600 0.131 0.000 1.009 197 E CA -0.174 56.322 56.400 0.160 0.000 0.902 197 E CB 0.367 30.131 29.700 0.107 0.000 0.972 197 E HN 0.697 nan 8.360 nan 0.000 0.439 198 H N 3.441 122.569 119.070 0.096 0.000 2.502 198 H HA 0.038 4.592 4.556 -0.003 0.000 0.327 198 H C 0.569 175.842 175.328 -0.092 0.000 1.099 198 H CA -0.302 55.728 56.048 -0.030 0.000 1.323 198 H CB 0.862 30.708 29.762 0.140 0.000 1.450 198 H HN 0.750 nan 8.280 nan 0.000 0.502 199 H N 1.901 120.823 119.070 -0.247 0.000 2.557 199 H HA -0.062 4.493 4.556 -0.003 0.000 0.287 199 H C 0.692 175.995 175.328 -0.041 0.000 1.043 199 H CA 1.021 56.981 56.048 -0.148 0.000 1.226 199 H CB 0.337 29.952 29.762 -0.244 0.000 1.361 199 H HN 0.478 nan 8.280 nan 0.000 0.592 200 Q N -0.115 119.781 119.800 0.161 0.000 2.471 200 Q HA 0.091 4.430 4.340 -0.003 0.000 0.259 200 Q C 1.525 177.565 176.000 0.067 0.000 0.850 200 Q CA 1.479 57.325 55.803 0.073 0.000 0.981 200 Q CB 0.525 29.210 28.738 -0.087 0.000 1.180 200 Q HN 0.701 nan 8.270 nan 0.000 0.571 201 T N -2.331 112.331 114.554 0.180 0.000 3.092 201 T HA 0.428 4.776 4.350 -0.003 0.000 0.258 201 T C 1.196 176.010 174.700 0.189 0.000 1.031 201 T CA 0.612 62.808 62.100 0.160 0.000 0.925 201 T CB 0.570 69.599 68.868 0.270 0.000 1.036 201 T HN 0.358 nan 8.240 nan 0.000 0.544 202 G N 2.980 111.892 108.800 0.186 0.000 2.634 202 G HA2 -0.344 3.615 3.960 -0.003 0.000 0.318 202 G HA3 -0.344 3.615 3.960 -0.003 0.000 0.318 202 G C 0.346 175.357 174.900 0.185 0.000 1.207 202 G CA 0.402 45.589 45.100 0.146 0.000 0.987 202 G HN 0.537 nan 8.290 nan 0.000 0.547 203 N N 0.974 119.749 118.700 0.125 0.000 2.416 203 N HA 0.147 4.886 4.740 -0.003 0.000 0.267 203 N C 1.396 176.934 175.510 0.046 0.000 1.294 203 N CA 0.467 53.592 53.050 0.126 0.000 0.891 203 N CB 1.118 39.664 38.487 0.099 0.000 1.238 203 N HN 0.685 nan 8.380 nan 0.000 0.508 204 K N -0.250 120.156 120.400 0.010 0.000 2.228 204 K HA -0.017 4.302 4.320 -0.003 0.000 0.202 204 K C -0.428 175.915 176.600 -0.428 0.000 1.051 204 K CA 0.780 56.935 56.287 -0.220 0.000 0.960 204 K CB 0.338 32.684 32.500 -0.256 0.000 0.743 204 K HN 0.045 nan 8.250 nan 0.000 0.458 205 W N -0.573 120.636 121.300 -0.151 0.000 2.736 205 W HA 0.247 4.906 4.660 -0.003 0.000 0.335 205 W C 0.512 176.806 176.519 -0.375 0.000 1.059 205 W CA -1.230 55.889 57.345 -0.376 0.000 1.226 205 W CB 1.430 30.471 29.460 -0.699 0.000 1.416 205 W HN 0.069 nan 8.180 nan 0.000 0.505 206 C N 0.664 119.867 119.300 -0.162 0.000 3.491 206 C HA 0.554 5.012 4.460 -0.003 0.000 0.298 206 C C 0.369 175.169 174.990 -0.317 0.000 1.424 206 C CA -0.399 58.473 59.018 -0.243 0.000 1.772 206 C CB -1.591 25.944 27.740 -0.341 0.000 2.447 206 C HN 0.452 nan 8.230 nan 0.000 0.670 207 I N -1.350 119.009 120.570 -0.351 0.000 2.509 207 I HA 0.786 4.954 4.170 -0.003 0.000 0.293 207 I C -1.544 174.282 176.117 -0.485 0.000 1.020 207 I CA -0.884 60.285 61.300 -0.219 0.000 1.088 207 I CB 1.307 39.233 38.000 -0.122 0.000 1.267 207 I HN 0.015 nan 8.210 nan 0.000 0.430 208 Y N 4.922 125.218 120.300 -0.007 0.000 2.462 208 Y HA 0.586 5.135 4.550 -0.003 0.000 0.346 208 Y C -2.474 173.254 175.900 -0.286 0.000 0.976 208 Y CA -2.518 55.440 58.100 -0.236 0.000 1.044 208 Y CB 2.144 40.490 38.460 -0.189 0.000 1.230 208 Y HN 0.442 nan 8.280 nan 0.000 0.455 209 P HA 0.098 nan 4.420 nan 0.000 0.275 209 P C -0.483 176.695 177.300 -0.204 0.000 1.227 209 P CA -0.104 62.577 63.100 -0.700 0.000 0.781 209 P CB 0.885 32.329 31.700 -0.427 0.000 0.906 210 M N 2.620 122.120 119.600 -0.167 0.000 2.202 210 M HA 0.065 4.544 4.480 -0.003 0.000 0.316 210 M C 1.666 178.024 176.300 0.096 0.000 1.138 210 M CA -0.360 54.948 55.300 0.013 0.000 1.151 210 M CB -0.352 32.254 32.600 0.010 0.000 1.422 210 M HN 0.475 nan 8.290 nan 0.000 0.471 211 Y N 2.016 122.357 120.300 0.068 0.000 2.053 211 Y HA -0.299 4.250 4.550 -0.003 0.000 0.277 211 Y C 1.657 177.613 175.900 0.093 0.000 1.159 211 Y CA 2.392 60.546 58.100 0.090 0.000 1.125 211 Y CB -0.203 38.316 38.460 0.098 0.000 0.969 211 Y HN 0.676 nan 8.280 nan 0.000 0.492 212 D N -0.500 119.840 120.400 -0.099 0.000 2.221 212 D HA -0.205 4.433 4.640 -0.003 0.000 0.204 212 D C 1.920 178.144 176.300 -0.127 0.000 0.982 212 D CA 1.538 55.432 54.000 -0.177 0.000 0.857 212 D CB -0.447 40.429 40.800 0.127 0.000 0.934 212 D HN 0.442 nan 8.370 nan 0.000 0.475 213 F N 1.456 121.284 119.950 -0.204 0.000 2.219 213 F HA -0.074 4.451 4.527 -0.002 0.000 0.294 213 F C 2.337 177.994 175.800 -0.239 0.000 1.086 213 F CA 1.020 58.905 58.000 -0.192 0.000 1.330 213 F CB -0.340 38.557 39.000 -0.172 0.000 1.047 213 F HN -0.202 nan 8.300 nan 0.000 0.495 214 T N -1.264 113.163 114.554 -0.212 0.000 2.701 214 T HA -0.203 4.146 4.350 -0.003 0.000 0.263 214 T C 1.690 176.181 174.700 -0.349 0.000 1.040 214 T CA 1.914 63.863 62.100 -0.253 0.000 1.147 214 T CB -0.644 68.199 68.868 -0.041 0.000 0.865 214 T HN 0.383 nan 8.240 nan 0.000 0.426 215 H N 0.586 119.360 119.070 -0.492 0.000 2.319 215 H HA -0.127 4.427 4.556 -0.003 0.000 0.299 215 H C 2.580 177.595 175.328 -0.522 0.000 1.092 215 H CA 2.139 57.897 56.048 -0.483 0.000 1.302 215 H CB -0.543 28.809 29.762 -0.684 0.000 1.373 215 H HN 0.593 nan 8.280 nan 0.000 0.497 216 C N -0.536 118.362 119.300 -0.671 0.000 2.440 216 C HA -0.007 4.451 4.460 -0.003 0.000 0.278 216 C C 2.654 177.159 174.990 -0.808 0.000 1.295 216 C CA 0.527 58.875 59.018 -1.117 0.000 1.738 216 C CB -1.219 25.558 27.740 -1.604 0.000 1.987 216 C HN 0.559 nan 8.230 nan 0.000 0.492 217 I N 2.063 122.198 120.570 -0.726 0.000 2.353 217 I HA -0.130 4.038 4.170 -0.003 0.000 0.248 217 I C 2.759 178.502 176.117 -0.624 0.000 1.119 217 I CA 1.551 62.445 61.300 -0.677 0.000 1.417 217 I CB -0.362 37.203 38.000 -0.725 0.000 1.078 217 I HN 0.334 nan 8.210 nan 0.000 0.421 218 S N 0.448 115.782 115.700 -0.610 0.000 2.356 218 S HA -0.189 4.280 4.470 -0.003 0.000 0.223 218 S C 1.626 175.886 174.600 -0.567 0.000 1.032 218 S CA 1.339 59.137 58.200 -0.669 0.000 1.005 218 S CB -0.306 62.660 63.200 -0.391 0.000 0.867 218 S HN 0.418 nan 8.310 nan 0.000 0.449 219 D N 1.748 121.844 120.400 -0.506 0.000 2.104 219 D HA -0.049 4.590 4.640 -0.003 0.000 0.194 219 D C 2.190 178.288 176.300 -0.337 0.000 0.994 219 D CA 1.375 55.152 54.000 -0.371 0.000 0.830 219 D CB -0.510 40.145 40.800 -0.242 0.000 0.959 219 D HN 0.370 nan 8.370 nan 0.000 0.452 220 A N 0.705 123.300 122.820 -0.374 0.000 1.877 220 A HA -0.131 4.188 4.320 -0.003 0.000 0.216 220 A C 2.449 179.856 177.584 -0.294 0.000 1.186 220 A CA 0.995 52.843 52.037 -0.316 0.000 0.620 220 A CB -0.846 17.930 19.000 -0.374 0.000 0.822 220 A HN 0.230 nan 8.150 nan 0.000 0.443 221 L N -0.878 120.123 121.223 -0.369 0.000 2.131 221 L HA -0.172 4.166 4.340 -0.003 0.000 0.210 221 L C 2.301 179.015 176.870 -0.260 0.000 1.092 221 L CA 1.430 56.078 54.840 -0.320 0.000 0.759 221 L CB -0.463 41.308 42.059 -0.480 0.000 0.903 221 L HN 0.476 nan 8.230 nan 0.000 0.435 222 E N -0.355 119.662 120.200 -0.305 0.000 2.481 222 E HA 0.021 4.370 4.350 -0.003 0.000 0.195 222 E C 1.237 177.639 176.600 -0.330 0.000 1.047 222 E CA 0.454 56.703 56.400 -0.252 0.000 0.867 222 E CB 0.212 29.762 29.700 -0.250 0.000 0.858 222 E HN 0.522 nan 8.360 nan 0.000 0.513 223 G N 1.634 110.260 108.800 -0.289 0.000 2.137 223 G HA2 -0.232 3.727 3.960 -0.003 0.000 0.237 223 G HA3 -0.232 3.727 3.960 -0.003 0.000 0.237 223 G C 0.198 174.891 174.900 -0.345 0.000 1.002 223 G CA -0.313 44.636 45.100 -0.252 0.000 0.702 223 G HN 0.127 nan 8.290 nan 0.000 0.515 224 I N 1.657 122.008 120.570 -0.365 0.000 2.710 224 I HA 0.120 4.289 4.170 -0.003 0.000 0.286 224 I C 2.023 178.040 176.117 -0.167 0.000 1.181 224 I CA 1.398 62.534 61.300 -0.274 0.000 1.430 224 I CB 0.689 38.572 38.000 -0.195 0.000 1.367 224 I HN 0.395 nan 8.210 nan 0.000 0.577 225 T N 2.993 117.448 114.554 -0.165 0.000 3.033 225 T HA 0.107 4.456 4.350 -0.003 0.000 0.248 225 T C 0.624 174.969 174.700 -0.592 0.000 1.040 225 T CA 0.412 62.257 62.100 -0.424 0.000 1.133 225 T CB 0.146 68.589 68.868 -0.708 0.000 0.895 225 T HN 0.554 nan 8.240 nan 0.000 0.465 226 H N 1.222 120.249 119.070 -0.072 0.000 2.991 226 H HA 0.522 5.077 4.556 -0.002 0.000 0.304 226 H C -1.060 174.295 175.328 0.045 0.000 1.040 226 H CA -0.606 55.469 56.048 0.045 0.000 1.410 226 H CB 1.534 31.298 29.762 0.004 0.000 1.529 226 H HN 0.193 nan 8.280 nan 0.000 0.509 227 S N 4.963 120.725 115.700 0.103 0.000 2.400 227 S HA 0.268 4.737 4.470 -0.003 0.000 0.295 227 S C 0.099 174.773 174.600 0.123 0.000 1.113 227 S CA -0.752 57.505 58.200 0.096 0.000 1.064 227 S CB -0.456 62.794 63.200 0.083 0.000 0.990 227 S HN 0.420 nan 8.310 nan 0.000 0.502 228 L N 6.470 127.795 121.223 0.170 0.000 2.265 228 L HA 0.567 4.905 4.340 -0.003 0.000 0.289 228 L C 0.350 177.389 176.870 0.282 0.000 1.033 228 L CA -0.874 54.120 54.840 0.256 0.000 0.814 228 L CB 0.485 42.691 42.059 0.245 0.000 1.203 228 L HN 0.780 nan 8.230 nan 0.000 0.423 229 C N -0.054 119.359 119.300 0.188 0.000 3.235 229 C HA 0.879 5.338 4.460 -0.003 0.000 0.351 229 C C 0.783 175.609 174.990 -0.274 0.000 1.520 229 C CA -0.606 58.413 59.018 0.000 0.000 1.474 229 C CB 1.501 29.164 27.740 -0.129 0.000 2.019 229 C HN 0.812 nan 8.230 nan 0.000 0.446 230 T N -0.525 113.894 114.554 -0.225 0.000 2.824 230 T HA 0.414 4.763 4.350 -0.003 0.000 0.277 230 T C 0.788 175.438 174.700 -0.083 0.000 0.975 230 T CA -0.484 61.388 62.100 -0.380 0.000 0.966 230 T CB 0.370 69.083 68.868 -0.259 0.000 1.054 230 T HN 0.561 nan 8.240 nan 0.000 0.533 231 L N 0.840 121.985 121.223 -0.131 0.000 2.261 231 L HA 0.004 4.342 4.340 -0.003 0.000 0.216 231 L C 2.353 179.164 176.870 -0.098 0.000 1.114 231 L CA 1.517 56.319 54.840 -0.064 0.000 0.777 231 L CB -1.516 40.506 42.059 -0.061 0.000 0.910 231 L HN 0.746 nan 8.230 nan 0.000 0.440 232 E N -1.829 118.234 120.200 -0.229 0.000 2.418 232 E HA -0.127 4.222 4.350 -0.003 0.000 0.197 232 E C 1.418 177.748 176.600 -0.451 0.000 1.026 232 E CA 0.736 56.908 56.400 -0.379 0.000 0.862 232 E CB -0.395 28.967 29.700 -0.564 0.000 0.799 232 E HN 0.374 nan 8.360 nan 0.000 0.518 233 F N 0.908 120.816 119.950 -0.070 0.000 2.693 233 F HA 0.204 4.729 4.527 -0.003 0.000 0.303 233 F C 1.832 177.625 175.800 -0.011 0.000 1.097 233 F CA -0.075 57.903 58.000 -0.036 0.000 1.330 233 F CB -0.020 38.955 39.000 -0.043 0.000 1.067 233 F HN -0.046 nan 8.300 nan 0.000 0.565 234 Q N 0.474 120.336 119.800 0.103 0.000 2.096 234 Q HA -0.210 4.128 4.340 -0.003 0.000 0.204 234 Q C 1.585 177.640 176.000 0.092 0.000 0.982 234 Q CA 1.792 57.645 55.803 0.085 0.000 0.850 234 Q CB -0.126 28.652 28.738 0.067 0.000 0.901 234 Q HN 0.376 nan 8.270 nan 0.000 0.422 235 D N 0.105 120.574 120.400 0.115 0.000 2.144 235 D HA -0.124 4.514 4.640 -0.003 0.000 0.199 235 D C 1.446 177.782 176.300 0.060 0.000 0.984 235 D CA 0.787 54.882 54.000 0.159 0.000 0.834 235 D CB -0.303 40.625 40.800 0.213 0.000 0.955 235 D HN 0.314 nan 8.370 nan 0.000 0.465 236 N N 1.093 119.870 118.700 0.128 0.000 2.289 236 N HA -0.161 4.577 4.740 -0.003 0.000 0.184 236 N C 1.897 177.489 175.510 0.138 0.000 1.016 236 N CA 0.283 53.444 53.050 0.184 0.000 0.872 236 N CB -0.067 38.654 38.487 0.390 0.000 0.973 236 N HN 0.229 nan 8.380 nan 0.000 0.433 237 R N 1.470 122.009 120.500 0.065 0.000 2.139 237 R HA -0.112 4.227 4.340 -0.003 0.000 0.243 237 R C 1.840 178.142 176.300 0.003 0.000 1.145 237 R CA 1.313 57.405 56.100 -0.014 0.000 0.976 237 R CB 0.080 30.322 30.300 -0.097 0.000 0.866 237 R HN 0.011 nan 8.270 nan 0.000 0.449 238 R N 0.119 120.551 120.500 -0.112 0.000 2.096 238 R HA -0.103 4.236 4.340 -0.003 0.000 0.235 238 R C 2.019 178.319 176.300 -0.000 0.000 1.127 238 R CA 0.991 56.984 56.100 -0.178 0.000 0.968 238 R CB -0.533 29.408 30.300 -0.598 0.000 0.861 238 R HN 0.228 nan 8.270 nan 0.000 0.440 239 L N -0.878 120.369 121.223 0.040 0.000 2.209 239 L HA -0.009 4.330 4.340 -0.003 0.000 0.207 239 L C 1.827 178.826 176.870 0.215 0.000 1.094 239 L CA 1.379 56.292 54.840 0.122 0.000 0.790 239 L CB -0.561 41.541 42.059 0.070 0.000 0.932 239 L HN 0.166 nan 8.230 nan 0.000 0.447 240 Y N 0.666 120.986 120.300 0.034 0.000 2.097 240 Y HA -0.272 4.277 4.550 -0.003 0.000 0.282 240 Y C 2.168 178.048 175.900 -0.034 0.000 1.152 240 Y CA 2.237 60.325 58.100 -0.022 0.000 1.136 240 Y CB -0.351 38.090 38.460 -0.033 0.000 0.975 240 Y HN 0.309 nan 8.280 nan 0.000 0.498 241 D N -1.109 119.508 120.400 0.363 0.000 2.178 241 D HA -0.201 4.437 4.640 -0.003 0.000 0.202 241 D C 1.838 178.241 176.300 0.172 0.000 0.974 241 D CA 1.240 55.422 54.000 0.303 0.000 0.841 241 D CB -0.873 40.099 40.800 0.286 0.000 0.953 241 D HN 0.591 nan 8.370 nan 0.000 0.478 242 W N 1.659 122.967 121.300 0.013 0.000 2.355 242 W HA -0.210 4.449 4.660 -0.003 0.000 0.309 242 W C 2.083 178.570 176.519 -0.052 0.000 1.206 242 W CA 1.198 58.535 57.345 -0.012 0.000 1.284 242 W CB -0.337 29.116 29.460 -0.013 0.000 1.145 242 W HN -0.259 nan 8.180 nan 0.000 0.502 243 V N 1.378 121.369 119.914 0.128 0.000 2.255 243 V HA -0.360 3.759 4.120 -0.003 0.000 0.247 243 V C 2.362 178.225 176.094 -0.386 0.000 1.051 243 V CA 2.238 64.471 62.300 -0.111 0.000 1.018 243 V CB -1.196 30.608 31.823 -0.031 0.000 0.641 243 V HN 0.251 nan 8.190 nan 0.000 0.445 244 L N -0.254 120.716 121.223 -0.423 0.000 2.083 244 L HA -0.175 4.163 4.340 -0.003 0.000 0.209 244 L C 2.249 178.889 176.870 -0.384 0.000 1.083 244 L CA 1.440 55.966 54.840 -0.522 0.000 0.752 244 L CB -0.778 40.800 42.059 -0.801 0.000 0.899 244 L HN 0.348 nan 8.230 nan 0.000 0.433 245 D N -0.156 120.070 120.400 -0.289 0.000 2.310 245 D HA -0.111 4.527 4.640 -0.003 0.000 0.212 245 D C 1.498 177.610 176.300 -0.313 0.000 0.965 245 D CA 0.869 54.749 54.000 -0.200 0.000 0.879 245 D CB -0.071 40.654 40.800 -0.125 0.000 0.921 245 D HN 0.331 nan 8.370 nan 0.000 0.510 246 N N 0.174 118.583 118.700 -0.485 0.000 2.205 246 N HA 0.122 4.860 4.740 -0.003 0.000 0.201 246 N C 0.599 175.912 175.510 -0.328 0.000 1.128 246 N CA 0.003 52.756 53.050 -0.495 0.000 0.867 246 N CB 1.565 39.505 38.487 -0.912 0.000 0.996 246 N HN 0.353 nan 8.380 nan 0.000 0.503 247 I N -2.438 117.956 120.570 -0.294 0.000 3.133 247 I HA 0.457 4.625 4.170 -0.003 0.000 0.311 247 I C -0.353 175.688 176.117 -0.126 0.000 1.072 247 I CA -0.706 60.485 61.300 -0.181 0.000 1.015 247 I CB 1.642 39.431 38.000 -0.352 0.000 1.233 247 I HN -0.359 nan 8.210 nan 0.000 0.473 248 T N 4.293 118.872 114.554 0.042 0.000 2.875 248 T HA 0.561 4.909 4.350 -0.003 0.000 0.307 248 T C -0.441 174.301 174.700 0.070 0.000 1.013 248 T CA 0.097 62.225 62.100 0.047 0.000 0.970 248 T CB -0.515 68.399 68.868 0.077 0.000 0.986 248 T HN 0.446 nan 8.240 nan 0.000 0.536 249 I N 4.973 125.501 120.570 -0.069 0.000 2.656 249 I HA 0.371 4.540 4.170 -0.003 0.000 0.292 249 I C -1.600 174.463 176.117 -0.090 0.000 1.144 249 I CA -2.342 58.898 61.300 -0.100 0.000 1.038 249 I CB 2.929 40.749 38.000 -0.299 0.000 1.244 249 I HN 0.272 nan 8.210 nan 0.000 0.420 250 P HA 0.017 nan 4.420 nan 0.000 0.229 250 P C -0.058 177.220 177.300 -0.036 0.000 1.160 250 P CA 0.726 63.802 63.100 -0.040 0.000 0.777 250 P CB 0.134 31.819 31.700 -0.025 0.000 0.814 251 V N -2.961 116.919 119.914 -0.057 0.000 3.074 251 V HA 0.582 4.701 4.120 -0.003 0.000 0.314 251 V C -1.092 174.997 176.094 -0.008 0.000 1.117 251 V CA -1.176 61.112 62.300 -0.021 0.000 1.014 251 V CB 2.144 33.950 31.823 -0.029 0.000 1.057 251 V HN 0.072 nan 8.190 nan 0.000 0.438 252 H N 1.575 120.608 119.070 -0.061 0.000 2.761 252 H HA 0.581 5.135 4.556 -0.003 0.000 0.263 252 H C -2.871 172.451 175.328 -0.010 0.000 1.292 252 H CA -1.788 54.231 56.048 -0.049 0.000 1.540 252 H CB 1.663 31.397 29.762 -0.046 0.000 1.569 252 H HN 0.655 nan 8.280 nan 0.000 0.510 253 P HA 0.048 nan 4.420 nan 0.000 0.268 253 P C -0.563 176.845 177.300 0.180 0.000 1.205 253 P CA -0.217 62.957 63.100 0.123 0.000 0.771 253 P CB 0.647 32.395 31.700 0.080 0.000 0.858 254 R N 2.307 122.785 120.500 -0.037 0.000 2.460 254 R HA 0.318 4.657 4.340 -0.003 0.000 0.303 254 R C 0.045 176.047 176.300 -0.497 0.000 0.968 254 R CA -0.647 55.298 56.100 -0.258 0.000 0.889 254 R CB 1.266 31.414 30.300 -0.253 0.000 1.123 254 R HN 0.560 nan 8.270 nan 0.000 0.455 255 Q N 2.342 121.715 119.800 -0.712 0.000 2.235 255 Q HA 0.322 4.661 4.340 -0.003 0.000 0.250 255 Q C -1.360 174.216 176.000 -0.707 0.000 0.909 255 Q CA -0.364 55.075 55.803 -0.608 0.000 0.910 255 Q CB 0.890 29.220 28.738 -0.680 0.000 1.223 255 Q HN 0.464 nan 8.270 nan 0.000 0.432 256 Y N 1.513 121.822 120.300 0.016 0.000 2.396 256 Y HA 0.298 4.847 4.550 -0.002 0.000 0.332 256 Y C -1.028 174.982 175.900 0.183 0.000 1.034 256 Y CA -0.990 57.179 58.100 0.115 0.000 1.057 256 Y CB 2.028 40.545 38.460 0.094 0.000 1.220 256 Y HN 0.624 nan 8.280 nan 0.000 0.440 257 E N 3.585 124.006 120.200 0.369 0.000 2.191 257 E HA 0.622 4.971 4.350 -0.003 0.000 0.274 257 E C -1.126 175.758 176.600 0.474 0.000 0.948 257 E CA -0.701 55.870 56.400 0.285 0.000 0.802 257 E CB 1.486 31.270 29.700 0.140 0.000 1.137 257 E HN 0.387 nan 8.360 nan 0.000 0.397 258 F N -1.301 118.826 119.950 0.296 0.000 2.611 258 F HA 0.683 5.208 4.527 -0.002 0.000 0.324 258 F C -0.076 175.829 175.800 0.174 0.000 1.061 258 F CA -1.529 56.661 58.000 0.316 0.000 0.954 258 F CB 0.925 40.103 39.000 0.296 0.000 1.301 258 F HN 0.300 nan 8.300 nan 0.000 0.482 259 S N 1.361 117.207 115.700 0.244 0.000 2.564 259 S HA 0.379 4.848 4.470 -0.003 0.000 0.278 259 S C -0.041 174.627 174.600 0.113 0.000 1.333 259 S CA -1.006 57.246 58.200 0.088 0.000 1.048 259 S CB 0.576 63.831 63.200 0.092 0.000 0.900 259 S HN 1.001 nan 8.310 nan 0.000 0.505 260 R N 1.488 121.985 120.500 -0.006 0.000 2.615 260 R HA 0.523 4.861 4.340 -0.003 0.000 0.270 260 R C -0.261 176.084 176.300 0.075 0.000 1.081 260 R CA -0.957 55.165 56.100 0.036 0.000 1.154 260 R CB 0.146 30.428 30.300 -0.030 0.000 1.063 260 R HN 0.586 nan 8.270 nan 0.000 0.519 261 L N 1.502 122.784 121.223 0.098 0.000 2.371 261 L HA 0.344 4.682 4.340 -0.003 0.000 0.272 261 L C -1.073 175.808 176.870 0.019 0.000 1.124 261 L CA 0.037 54.926 54.840 0.081 0.000 0.816 261 L CB 0.904 43.041 42.059 0.130 0.000 1.129 261 L HN 0.660 nan 8.230 nan 0.000 0.448 262 N N 5.172 123.886 118.700 0.023 0.000 2.249 262 N HA 0.490 5.229 4.740 -0.003 0.000 0.296 262 N C -1.658 173.868 175.510 0.026 0.000 1.051 262 N CA -0.412 52.629 53.050 -0.015 0.000 0.815 262 N CB 2.467 40.932 38.487 -0.036 0.000 1.487 262 N HN 0.606 nan 8.380 nan 0.000 0.475 263 L N 1.285 122.513 121.223 0.009 0.000 2.362 263 L HA 0.376 4.715 4.340 -0.003 0.000 0.275 263 L C 0.306 177.184 176.870 0.013 0.000 0.998 263 L CA -0.651 54.217 54.840 0.048 0.000 0.820 263 L CB 1.863 43.952 42.059 0.050 0.000 1.270 263 L HN 0.383 nan 8.230 nan 0.000 0.415 264 E N 2.974 123.187 120.200 0.021 0.000 2.418 264 E HA -0.013 4.336 4.350 -0.003 0.000 0.261 264 E C -0.741 175.878 176.600 0.032 0.000 1.070 264 E CA 0.179 56.530 56.400 -0.081 0.000 0.931 264 E CB 0.332 29.972 29.700 -0.099 0.000 0.954 264 E HN 0.483 nan 8.360 nan 0.000 0.439 265 Y N -1.565 118.770 120.300 0.059 0.000 4.409 265 Y HA -0.284 4.264 4.550 -0.003 0.000 0.228 265 Y C 0.339 176.374 175.900 0.224 0.000 1.108 265 Y CA 1.299 59.480 58.100 0.134 0.000 1.955 265 Y CB -1.824 36.712 38.460 0.126 0.000 1.615 265 Y HN 0.525 nan 8.280 nan 0.000 0.665 266 T N -1.307 113.350 114.554 0.173 0.000 2.762 266 T HA 0.748 5.097 4.350 -0.003 0.000 0.301 266 T C -1.186 173.487 174.700 -0.046 0.000 1.299 266 T CA -0.177 62.044 62.100 0.201 0.000 1.005 266 T CB 1.280 70.255 68.868 0.179 0.000 1.377 266 T HN 0.578 nan 8.240 nan 0.000 0.504 267 V N 1.315 121.214 119.914 -0.025 0.000 2.628 267 V HA 0.824 4.943 4.120 -0.003 0.000 0.306 267 V C -0.036 175.989 176.094 -0.115 0.000 1.045 267 V CA -0.856 61.350 62.300 -0.157 0.000 0.905 267 V CB 1.611 33.289 31.823 -0.243 0.000 0.997 267 V HN 0.864 nan 8.190 nan 0.000 0.436 268 M N 3.218 122.702 119.600 -0.194 0.000 2.589 268 M HA 0.433 4.911 4.480 -0.003 0.000 0.344 268 M C 0.439 176.590 176.300 -0.249 0.000 1.168 268 M CA 0.385 55.484 55.300 -0.335 0.000 0.956 268 M CB 0.126 32.480 32.600 -0.409 0.000 1.370 268 M HN 0.934 nan 8.290 nan 0.000 0.518 269 S N -0.283 115.351 115.700 -0.111 0.000 2.457 269 S HA 0.318 4.787 4.470 -0.003 0.000 0.289 269 S C 1.102 175.759 174.600 0.095 0.000 1.163 269 S CA -0.478 57.708 58.200 -0.024 0.000 1.078 269 S CB 0.870 63.997 63.200 -0.122 0.000 0.987 269 S HN 0.416 nan 8.310 nan 0.000 0.482 270 K N 2.779 123.300 120.400 0.202 0.000 2.147 270 K HA -0.077 4.241 4.320 -0.003 0.000 0.205 270 K C 2.180 178.905 176.600 0.209 0.000 1.049 270 K CA 0.592 57.051 56.287 0.286 0.000 0.936 270 K CB -0.096 32.561 32.500 0.262 0.000 0.722 270 K HN 0.517 nan 8.250 nan 0.000 0.446 271 R N 2.027 122.590 120.500 0.105 0.000 2.092 271 R HA -0.095 4.243 4.340 -0.003 0.000 0.231 271 R C 1.586 177.911 176.300 0.042 0.000 1.119 271 R CA 1.538 57.682 56.100 0.074 0.000 0.970 271 R CB 0.052 30.369 30.300 0.028 0.000 0.864 271 R HN 0.134 nan 8.270 nan 0.000 0.440 272 K N 0.200 120.568 120.400 -0.054 0.000 2.116 272 K HA 0.003 4.321 4.320 -0.003 0.000 0.203 272 K C 2.244 178.884 176.600 0.068 0.000 1.052 272 K CA 0.843 57.047 56.287 -0.138 0.000 0.952 272 K CB -0.041 32.089 32.500 -0.616 0.000 0.729 272 K HN 0.170 nan 8.250 nan 0.000 0.446 273 L N 1.380 122.622 121.223 0.033 0.000 2.093 273 L HA -0.167 4.171 4.340 -0.003 0.000 0.208 273 L C 2.359 179.025 176.870 -0.339 0.000 1.085 273 L CA 0.761 55.573 54.840 -0.046 0.000 0.755 273 L CB -0.469 41.643 42.059 0.088 0.000 0.904 273 L HN 0.261 nan 8.230 nan 0.000 0.435 274 N N 0.616 119.204 118.700 -0.187 0.000 2.142 274 N HA -0.180 4.558 4.740 -0.003 0.000 0.186 274 N C 1.882 177.330 175.510 -0.104 0.000 1.023 274 N CA 1.182 54.111 53.050 -0.203 0.000 0.852 274 N CB -0.050 38.546 38.487 0.182 0.000 0.998 274 N HN 0.150 nan 8.380 nan 0.000 0.424 275 L N 1.465 122.718 121.223 0.051 0.000 2.079 275 L HA -0.043 4.296 4.340 -0.003 0.000 0.210 275 L C 2.186 179.112 176.870 0.094 0.000 1.081 275 L CA 1.224 56.140 54.840 0.128 0.000 0.752 275 L CB -0.694 41.541 42.059 0.293 0.000 0.896 275 L HN 0.176 nan 8.230 nan 0.000 0.433 276 L N -1.990 119.287 121.223 0.090 0.000 2.083 276 L HA -0.200 4.139 4.340 -0.003 0.000 0.209 276 L C 2.312 179.119 176.870 -0.104 0.000 1.083 276 L CA 0.927 55.801 54.840 0.057 0.000 0.752 276 L CB -0.578 41.513 42.059 0.054 0.000 0.899 276 L HN 0.125 nan 8.230 nan 0.000 0.433 277 V N -1.260 118.492 119.914 -0.271 0.000 2.346 277 V HA -0.206 3.912 4.120 -0.003 0.000 0.244 277 V C 2.478 178.464 176.094 -0.181 0.000 1.037 277 V CA 2.135 64.230 62.300 -0.342 0.000 1.029 277 V CB -0.723 30.657 31.823 -0.738 0.000 0.663 277 V HN 0.413 nan 8.190 nan 0.000 0.454 278 T N -0.186 114.300 114.554 -0.113 0.000 2.746 278 T HA -0.160 4.189 4.350 -0.003 0.000 0.267 278 T C 1.395 176.051 174.700 -0.074 0.000 1.039 278 T CA 1.620 63.696 62.100 -0.040 0.000 1.142 278 T CB -0.314 68.565 68.868 0.020 0.000 0.866 278 T HN 0.415 nan 8.240 nan 0.000 0.444 279 D N 0.693 121.029 120.400 -0.107 0.000 2.340 279 D HA 0.067 4.706 4.640 -0.003 0.000 0.220 279 D C 0.470 176.493 176.300 -0.461 0.000 1.039 279 D CA 0.189 54.056 54.000 -0.222 0.000 0.866 279 D CB 0.077 40.796 40.800 -0.136 0.000 0.913 279 D HN 0.102 nan 8.370 nan 0.000 0.523 280 K N -0.217 119.997 120.400 -0.309 0.000 3.096 280 K HA -0.214 4.104 4.320 -0.003 0.000 0.266 280 K C 0.039 176.439 176.600 -0.334 0.000 1.043 280 K CA 0.391 56.514 56.287 -0.273 0.000 0.758 280 K CB -2.636 29.744 32.500 -0.201 0.000 1.260 280 K HN 0.538 nan 8.250 nan 0.000 0.481 281 H N -1.705 117.314 119.070 -0.085 0.000 2.553 281 H HA 0.133 4.687 4.556 -0.003 0.000 0.265 281 H C 0.941 176.213 175.328 -0.094 0.000 0.964 281 H CA 0.538 56.530 56.048 -0.094 0.000 1.156 281 H CB 0.638 30.328 29.762 -0.121 0.000 1.411 281 H HN 0.263 nan 8.280 nan 0.000 0.558 282 V N -3.056 116.843 119.914 -0.024 0.000 3.102 282 V HA 0.241 4.359 4.120 -0.003 0.000 0.312 282 V C 0.711 176.772 176.094 -0.055 0.000 1.135 282 V CA -1.020 61.257 62.300 -0.040 0.000 1.022 282 V CB 2.523 34.302 31.823 -0.074 0.000 1.056 282 V HN 0.016 nan 8.190 nan 0.000 0.436 283 E N 1.331 121.516 120.200 -0.025 0.000 2.077 283 E HA 0.270 4.618 4.350 -0.003 0.000 0.193 283 E C 0.897 177.468 176.600 -0.049 0.000 0.989 283 E CA 1.710 58.104 56.400 -0.012 0.000 0.800 283 E CB 0.067 29.790 29.700 0.038 0.000 0.746 283 E HN 1.067 nan 8.360 nan 0.000 0.452 284 G N -1.928 106.819 108.800 -0.088 0.000 2.428 284 G HA2 0.085 4.043 3.960 -0.003 0.000 0.304 284 G HA3 0.085 4.043 3.960 -0.003 0.000 0.304 284 G C -1.031 173.760 174.900 -0.180 0.000 1.303 284 G CA -0.652 44.374 45.100 -0.123 0.000 0.825 284 G HN 0.123 nan 8.290 nan 0.000 0.484 285 W N 0.744 121.870 121.300 -0.290 0.000 2.342 285 W HA 0.019 4.677 4.660 -0.003 0.000 0.297 285 W C 2.138 178.486 176.519 -0.285 0.000 1.213 285 W CA 1.640 58.742 57.345 -0.405 0.000 1.251 285 W CB 0.193 29.011 29.460 -1.071 0.000 1.136 285 W HN 0.583 nan 8.180 nan 0.000 0.526 286 D N -0.543 119.836 120.400 -0.036 0.000 2.370 286 D HA -0.063 4.575 4.640 -0.003 0.000 0.230 286 D C -0.017 176.243 176.300 -0.067 0.000 1.143 286 D CA 0.133 54.116 54.000 -0.029 0.000 0.834 286 D CB -0.810 39.979 40.800 -0.017 0.000 0.944 286 D HN 0.096 nan 8.370 nan 0.000 0.504 287 D N 1.599 121.955 120.400 -0.074 0.000 2.455 287 D HA -0.009 4.630 4.640 -0.003 0.000 0.241 287 D C -1.502 174.704 176.300 -0.156 0.000 1.138 287 D CA -1.436 52.509 54.000 -0.092 0.000 0.877 287 D CB 2.004 42.759 40.800 -0.074 0.000 1.187 287 D HN -0.075 nan 8.370 nan 0.000 0.451 288 P HA -0.073 nan 4.420 nan 0.000 0.223 288 P C 0.839 177.868 177.300 -0.452 0.000 1.144 288 P CA 1.008 63.832 63.100 -0.460 0.000 0.783 288 P CB 0.228 31.406 31.700 -0.870 0.000 0.771 289 R N -2.320 117.985 120.500 -0.326 0.000 2.246 289 R HA 0.167 4.506 4.340 -0.003 0.000 0.199 289 R C 0.784 177.031 176.300 -0.088 0.000 0.984 289 R CA 0.167 56.166 56.100 -0.167 0.000 1.015 289 R CB -0.142 30.121 30.300 -0.063 0.000 0.930 289 R HN 0.202 nan 8.270 nan 0.000 0.475 290 M N 2.028 121.578 119.600 -0.084 0.000 2.242 290 M HA 0.104 4.583 4.480 -0.003 0.000 0.344 290 M C -1.667 174.628 176.300 -0.008 0.000 1.140 290 M CA -2.118 53.170 55.300 -0.020 0.000 1.160 290 M CB 0.580 33.172 32.600 -0.012 0.000 1.491 290 M HN -0.161 nan 8.290 nan 0.000 0.459 291 P HA 0.041 nan 4.420 nan 0.000 0.255 291 P C -0.036 177.333 177.300 0.116 0.000 1.357 291 P CA 0.142 63.262 63.100 0.033 0.000 0.839 291 P CB -0.588 31.137 31.700 0.041 0.000 1.356 292 T N -2.673 111.969 114.554 0.147 0.000 2.882 292 T HA 0.217 4.565 4.350 -0.003 0.000 0.287 292 T C 1.575 176.357 174.700 0.138 0.000 1.014 292 T CA -0.755 61.486 62.100 0.234 0.000 1.049 292 T CB 0.787 69.826 68.868 0.286 0.000 1.001 292 T HN -0.276 nan 8.240 nan 0.000 0.525 293 I N 1.891 122.564 120.570 0.172 0.000 2.163 293 I HA -0.184 3.984 4.170 -0.003 0.000 0.243 293 I C 2.915 179.005 176.117 -0.044 0.000 1.085 293 I CA 1.977 63.342 61.300 0.110 0.000 1.347 293 I CB -2.010 36.094 38.000 0.173 0.000 1.044 293 I HN 0.924 nan 8.210 nan 0.000 0.408 294 S N 0.909 116.611 115.700 0.003 0.000 2.382 294 S HA -0.080 4.389 4.470 -0.003 0.000 0.228 294 S C 2.206 176.740 174.600 -0.110 0.000 1.027 294 S CA 1.031 59.178 58.200 -0.088 0.000 0.991 294 S CB -1.273 61.983 63.200 0.094 0.000 0.823 294 S HN 0.450 nan 8.310 nan 0.000 0.469 295 G N 1.884 110.660 108.800 -0.040 0.000 2.402 295 G HA2 0.005 3.963 3.960 -0.003 0.000 0.216 295 G HA3 0.005 3.963 3.960 -0.003 0.000 0.216 295 G C 1.447 176.277 174.900 -0.117 0.000 1.162 295 G CA 0.772 45.825 45.100 -0.078 0.000 0.777 295 G HN 0.493 nan 8.290 nan 0.000 0.539 296 L N -0.240 120.913 121.223 -0.116 0.000 2.056 296 L HA -0.013 4.325 4.340 -0.003 0.000 0.207 296 L C 2.918 179.775 176.870 -0.022 0.000 1.078 296 L CA 1.237 56.008 54.840 -0.116 0.000 0.749 296 L CB -0.355 41.576 42.059 -0.214 0.000 0.901 296 L HN 0.193 nan 8.230 nan 0.000 0.433 297 R N 0.450 120.822 120.500 -0.212 0.000 2.083 297 R HA -0.223 4.115 4.340 -0.003 0.000 0.237 297 R C 2.478 178.675 176.300 -0.171 0.000 1.137 297 R CA 1.752 57.630 56.100 -0.370 0.000 0.951 297 R CB -0.191 29.484 30.300 -1.042 0.000 0.851 297 R HN 0.192 nan 8.270 nan 0.000 0.434 298 R N -0.043 120.355 120.500 -0.170 0.000 2.148 298 R HA -0.120 4.218 4.340 -0.003 0.000 0.227 298 R C 2.187 178.441 176.300 -0.076 0.000 1.103 298 R CA 1.314 57.344 56.100 -0.117 0.000 0.983 298 R CB -0.087 30.137 30.300 -0.127 0.000 0.874 298 R HN 0.028 nan 8.270 nan 0.000 0.451 299 R N -0.355 120.103 120.500 -0.069 0.000 2.189 299 R HA -0.023 4.316 4.340 -0.003 0.000 0.223 299 R C 0.924 177.248 176.300 0.039 0.000 1.092 299 R CA 1.631 57.702 56.100 -0.048 0.000 0.989 299 R CB -0.109 30.189 30.300 -0.002 0.000 0.876 299 R HN 0.431 nan 8.270 nan 0.000 0.457 300 G N -2.776 106.068 108.800 0.073 0.000 2.175 300 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.182 300 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.182 300 G C -0.456 174.476 174.900 0.054 0.000 1.003 300 G CA -0.108 45.023 45.100 0.051 0.000 0.666 300 G HN 0.216 nan 8.290 nan 0.000 0.506 301 Y N 2.032 122.359 120.300 0.044 0.000 2.379 301 Y HA 0.479 5.027 4.550 -0.002 0.000 0.337 301 Y C 1.529 177.559 175.900 0.217 0.000 1.238 301 Y CA 0.805 58.956 58.100 0.085 0.000 1.405 301 Y CB 0.896 39.413 38.460 0.094 0.000 1.310 301 Y HN 0.257 nan 8.280 nan 0.000 0.569 302 T N -1.374 113.322 114.554 0.237 0.000 2.867 302 T HA 0.569 4.918 4.350 -0.003 0.000 0.282 302 T C 1.000 175.686 174.700 -0.023 0.000 1.000 302 T CA -0.427 61.748 62.100 0.125 0.000 1.042 302 T CB 1.631 70.482 68.868 -0.029 0.000 0.973 302 T HN 0.761 nan 8.240 nan 0.000 0.465 303 A N 2.502 125.003 122.820 -0.530 0.000 1.948 303 A HA 0.066 4.385 4.320 -0.003 0.000 0.220 303 A C 2.591 179.986 177.584 -0.316 0.000 1.177 303 A CA 2.014 53.582 52.037 -0.782 0.000 0.636 303 A CB -1.471 16.773 19.000 -1.261 0.000 0.815 303 A HN 1.319 nan 8.150 nan 0.000 0.449 304 A N 0.169 122.835 122.820 -0.256 0.000 1.972 304 A HA -0.099 4.219 4.320 -0.003 0.000 0.219 304 A C 2.484 180.040 177.584 -0.047 0.000 1.169 304 A CA 2.347 54.294 52.037 -0.150 0.000 0.635 304 A CB -0.882 18.034 19.000 -0.140 0.000 0.810 304 A HN 1.072 nan 8.150 nan 0.000 0.446 305 S N -0.383 115.315 115.700 -0.003 0.000 2.436 305 S HA -0.001 4.467 4.470 -0.003 0.000 0.228 305 S C 1.787 176.484 174.600 0.162 0.000 1.014 305 S CA 1.132 59.378 58.200 0.076 0.000 0.950 305 S CB -0.594 62.656 63.200 0.083 0.000 0.784 305 S HN 0.474 nan 8.310 nan 0.000 0.504 306 I N 1.383 122.044 120.570 0.153 0.000 2.406 306 I HA -0.029 4.139 4.170 -0.003 0.000 0.249 306 I C 2.976 179.221 176.117 0.214 0.000 1.122 306 I CA 0.773 62.195 61.300 0.203 0.000 1.431 306 I CB -0.205 37.907 38.000 0.187 0.000 1.087 306 I HN 0.215 nan 8.210 nan 0.000 0.424 307 R N 0.447 121.016 120.500 0.115 0.000 2.092 307 R HA -0.192 4.147 4.340 -0.003 0.000 0.231 307 R C 2.192 178.555 176.300 0.105 0.000 1.119 307 R CA 1.315 57.481 56.100 0.110 0.000 0.970 307 R CB -0.257 30.063 30.300 0.034 0.000 0.864 307 R HN 0.239 nan 8.270 nan 0.000 0.440 308 E N 0.872 121.133 120.200 0.101 0.000 2.077 308 E HA -0.196 4.153 4.350 -0.003 0.000 0.193 308 E C 1.565 178.249 176.600 0.140 0.000 0.989 308 E CA 1.178 57.634 56.400 0.094 0.000 0.800 308 E CB -0.329 29.421 29.700 0.083 0.000 0.746 308 E HN 0.238 nan 8.360 nan 0.000 0.452 309 F N 0.467 120.447 119.950 0.050 0.000 2.095 309 F HA -0.220 4.305 4.527 -0.003 0.000 0.298 309 F C 2.182 178.011 175.800 0.049 0.000 1.104 309 F CA 1.759 59.794 58.000 0.058 0.000 1.232 309 F CB -0.764 38.282 39.000 0.077 0.000 0.987 309 F HN 0.151 nan 8.300 nan 0.000 0.475 310 C N 0.762 120.071 119.300 0.014 0.000 2.422 310 C HA -0.153 4.305 4.460 -0.003 0.000 0.279 310 C C 2.756 177.668 174.990 -0.130 0.000 1.305 310 C CA 1.382 60.330 59.018 -0.116 0.000 1.757 310 C CB -1.317 26.447 27.740 0.040 0.000 1.962 310 C HN 0.550 nan 8.230 nan 0.000 0.499 311 K N 0.625 120.991 120.400 -0.056 0.000 2.057 311 K HA -0.087 4.231 4.320 -0.003 0.000 0.206 311 K C 2.300 178.854 176.600 -0.077 0.000 1.050 311 K CA 1.135 57.394 56.287 -0.047 0.000 0.935 311 K CB -0.111 32.386 32.500 -0.006 0.000 0.715 311 K HN 0.455 nan 8.250 nan 0.000 0.439 312 R N 0.687 121.129 120.500 -0.098 0.000 2.090 312 R HA -0.034 4.305 4.340 -0.003 0.000 0.228 312 R C 2.424 178.635 176.300 -0.149 0.000 1.110 312 R CA 1.579 57.623 56.100 -0.095 0.000 0.973 312 R CB -0.450 29.821 30.300 -0.048 0.000 0.869 312 R HN 0.415 nan 8.270 nan 0.000 0.440 313 I N -1.641 118.754 120.570 -0.292 0.000 2.756 313 I HA 0.151 4.319 4.170 -0.003 0.000 0.262 313 I C 0.920 176.954 176.117 -0.137 0.000 1.225 313 I CA 0.673 61.814 61.300 -0.265 0.000 1.472 313 I CB -0.659 37.067 38.000 -0.457 0.000 1.094 313 I HN 0.169 nan 8.210 nan 0.000 0.454 314 G N 0.935 109.665 108.800 -0.117 0.000 2.828 314 G HA2 -0.141 3.818 3.960 -0.003 0.000 0.463 314 G HA3 -0.141 3.818 3.960 -0.003 0.000 0.463 314 G C -0.690 174.185 174.900 -0.041 0.000 1.394 314 G CA -0.347 44.717 45.100 -0.059 0.000 0.862 314 G HN 0.361 nan 8.290 nan 0.000 0.540 315 V N 1.813 121.727 119.914 0.000 0.000 2.447 315 V HA 0.807 4.925 4.120 -0.003 0.000 0.292 315 V C 0.620 176.858 176.094 0.240 0.000 1.021 315 V CA 0.550 62.872 62.300 0.037 0.000 0.850 315 V CB 1.042 32.781 31.823 -0.139 0.000 1.005 315 V HN 1.817 nan 8.190 nan 0.000 0.426 316 T N 1.234 115.971 114.554 0.305 0.000 2.618 316 T HA 0.519 4.868 4.350 -0.003 0.000 0.286 316 T C 0.087 174.899 174.700 0.188 0.000 1.027 316 T CA -0.658 61.590 62.100 0.246 0.000 1.063 316 T CB 2.311 71.227 68.868 0.081 0.000 1.440 316 T HN 0.310 nan 8.240 nan 0.000 0.505 317 K N 0.246 120.600 120.400 -0.076 0.000 2.414 317 K HA 0.237 4.555 4.320 -0.003 0.000 0.204 317 K C 0.062 176.638 176.600 -0.039 0.000 1.026 317 K CA -0.119 56.120 56.287 -0.079 0.000 1.108 317 K CB 0.594 32.942 32.500 -0.254 0.000 0.855 317 K HN 0.498 nan 8.250 nan 0.000 0.517 318 Q N 1.339 121.130 119.800 -0.015 0.000 2.243 318 Q HA 0.143 4.482 4.340 -0.003 0.000 0.252 318 Q C -0.795 175.207 176.000 0.003 0.000 0.909 318 Q CA -0.483 55.312 55.803 -0.014 0.000 0.922 318 Q CB 1.268 29.996 28.738 -0.016 0.000 1.215 318 Q HN 0.027 nan 8.270 nan 0.000 0.427 319 D N 2.797 123.191 120.400 -0.011 0.000 2.425 319 D HA 0.061 4.699 4.640 -0.003 0.000 0.247 319 D C -0.324 175.973 176.300 -0.006 0.000 1.147 319 D CA 0.543 54.535 54.000 -0.012 0.000 0.879 319 D CB 0.512 41.296 40.800 -0.027 0.000 1.179 319 D HN 0.562 nan 8.370 nan 0.000 0.456 320 N N -1.190 117.510 118.700 0.002 0.000 2.416 320 N HA 0.508 5.247 4.740 -0.003 0.000 0.276 320 N C -1.544 173.969 175.510 0.004 0.000 1.261 320 N CA -0.813 52.240 53.050 0.005 0.000 0.790 320 N CB 1.703 40.200 38.487 0.017 0.000 1.554 320 N HN -0.045 nan 8.380 nan 0.000 0.481 321 T N 1.167 115.725 114.554 0.007 0.000 3.008 321 T HA 0.365 4.713 4.350 -0.003 0.000 0.328 321 T C -0.442 174.281 174.700 0.037 0.000 1.020 321 T CA -0.309 61.796 62.100 0.008 0.000 1.043 321 T CB -0.056 68.799 68.868 -0.023 0.000 1.010 321 T HN 0.421 nan 8.240 nan 0.000 0.466 322 I N 2.841 123.458 120.570 0.078 0.000 2.779 322 I HA 0.140 4.309 4.170 -0.003 0.000 0.285 322 I C 1.018 177.216 176.117 0.134 0.000 1.134 322 I CA -0.030 61.346 61.300 0.126 0.000 1.398 322 I CB 0.487 38.621 38.000 0.225 0.000 1.404 322 I HN 0.538 nan 8.210 nan 0.000 0.587 323 E N 4.638 124.924 120.200 0.143 0.000 2.319 323 E HA 0.133 4.481 4.350 -0.003 0.000 0.268 323 E C 0.588 177.289 176.600 0.169 0.000 1.050 323 E CA -0.685 55.801 56.400 0.144 0.000 0.878 323 E CB 0.721 30.498 29.700 0.128 0.000 1.066 323 E HN 0.451 nan 8.360 nan 0.000 0.406 324 M N 1.094 120.799 119.600 0.174 0.000 2.213 324 M HA -0.127 4.352 4.480 -0.003 0.000 0.263 324 M C 1.996 178.366 176.300 0.117 0.000 1.062 324 M CA 1.259 56.642 55.300 0.138 0.000 1.105 324 M CB -1.229 31.466 32.600 0.157 0.000 1.385 324 M HN 0.733 nan 8.290 nan 0.000 0.417 325 A N -0.786 122.109 122.820 0.125 0.000 1.940 325 A HA -0.190 4.128 4.320 -0.003 0.000 0.219 325 A C 2.479 180.139 177.584 0.127 0.000 1.176 325 A CA 2.309 54.412 52.037 0.110 0.000 0.631 325 A CB -0.967 18.094 19.000 0.101 0.000 0.814 325 A HN 0.497 nan 8.150 nan 0.000 0.446 326 S N -0.819 114.981 115.700 0.166 0.000 2.368 326 S HA -0.110 4.358 4.470 -0.003 0.000 0.225 326 S C 1.935 176.696 174.600 0.268 0.000 1.030 326 S CA 1.410 59.750 58.200 0.232 0.000 0.999 326 S CB -0.411 62.973 63.200 0.306 0.000 0.844 326 S HN 0.529 nan 8.310 nan 0.000 0.459 327 L N 0.864 122.172 121.223 0.142 0.000 2.056 327 L HA -0.072 4.266 4.340 -0.003 0.000 0.207 327 L C 2.406 179.332 176.870 0.094 0.000 1.078 327 L CA 1.793 56.561 54.840 -0.119 0.000 0.749 327 L CB -0.482 41.348 42.059 -0.382 0.000 0.901 327 L HN 0.453 nan 8.230 nan 0.000 0.433 328 E N -1.037 119.229 120.200 0.111 0.000 2.150 328 E HA -0.216 4.133 4.350 -0.003 0.000 0.193 328 E C 2.186 178.821 176.600 0.059 0.000 0.985 328 E CA 1.215 57.673 56.400 0.097 0.000 0.814 328 E CB -0.054 29.697 29.700 0.085 0.000 0.752 328 E HN 0.364 nan 8.360 nan 0.000 0.466 329 S N 0.284 116.035 115.700 0.086 0.000 2.368 329 S HA -0.172 4.296 4.470 -0.003 0.000 0.225 329 S C 2.149 176.784 174.600 0.059 0.000 1.030 329 S CA 1.172 59.416 58.200 0.074 0.000 0.999 329 S CB -0.356 62.900 63.200 0.094 0.000 0.844 329 S HN 0.426 nan 8.310 nan 0.000 0.459 330 C N 0.833 120.193 119.300 0.100 0.000 2.413 330 C HA 0.002 4.460 4.460 -0.003 0.000 0.276 330 C C 2.428 177.424 174.990 0.010 0.000 1.248 330 C CA 0.729 59.803 59.018 0.095 0.000 1.742 330 C CB -1.417 26.439 27.740 0.192 0.000 2.017 330 C HN 0.718 nan 8.230 nan 0.000 0.481 331 I N 0.866 121.409 120.570 -0.045 0.000 2.500 331 I HA -0.057 4.111 4.170 -0.003 0.000 0.252 331 I C 2.541 178.476 176.117 -0.303 0.000 1.142 331 I CA 1.365 62.518 61.300 -0.244 0.000 1.451 331 I CB -0.573 37.044 38.000 -0.638 0.000 1.093 331 I HN 0.190 nan 8.210 nan 0.000 0.430 332 R N 0.092 120.476 120.500 -0.193 0.000 2.075 332 R HA -0.174 4.165 4.340 -0.003 0.000 0.232 332 R C 2.221 178.424 176.300 -0.162 0.000 1.126 332 R CA 1.566 57.556 56.100 -0.183 0.000 0.963 332 R CB -0.418 29.892 30.300 0.016 0.000 0.858 332 R HN 0.490 nan 8.270 nan 0.000 0.435 333 E N 0.799 120.951 120.200 -0.080 0.000 2.058 333 E HA -0.241 4.108 4.350 -0.003 0.000 0.194 333 E C 1.726 178.277 176.600 -0.081 0.000 0.997 333 E CA 1.552 57.925 56.400 -0.045 0.000 0.801 333 E CB -0.013 29.681 29.700 -0.010 0.000 0.746 333 E HN 0.185 nan 8.360 nan 0.000 0.450 334 D N -0.016 120.311 120.400 -0.123 0.000 2.078 334 D HA -0.158 4.481 4.640 -0.003 0.000 0.193 334 D C 2.046 178.232 176.300 -0.189 0.000 0.990 334 D CA 0.856 54.778 54.000 -0.132 0.000 0.827 334 D CB -0.029 40.690 40.800 -0.134 0.000 0.975 334 D HN 0.161 nan 8.370 nan 0.000 0.451 335 L N 1.300 122.306 121.223 -0.362 0.000 2.083 335 L HA -0.119 4.220 4.340 -0.003 0.000 0.209 335 L C 2.175 178.840 176.870 -0.342 0.000 1.083 335 L CA 1.193 55.720 54.840 -0.521 0.000 0.752 335 L CB -1.677 39.683 42.059 -1.166 0.000 0.899 335 L HN 0.160 nan 8.230 nan 0.000 0.433 336 N N -0.572 117.983 118.700 -0.242 0.000 2.205 336 N HA -0.208 4.530 4.740 -0.003 0.000 0.186 336 N C 1.772 177.357 175.510 0.126 0.000 1.015 336 N CA 1.291 54.383 53.050 0.070 0.000 0.862 336 N CB 0.129 38.678 38.487 0.103 0.000 0.986 336 N HN 0.274 nan 8.380 nan 0.000 0.429 337 E N -0.558 119.690 120.200 0.081 0.000 2.102 337 E HA 0.068 4.416 4.350 -0.003 0.000 0.190 337 E C 0.819 177.525 176.600 0.177 0.000 0.971 337 E CA 0.583 57.075 56.400 0.153 0.000 0.821 337 E CB 0.005 29.735 29.700 0.050 0.000 0.777 337 E HN 0.531 nan 8.360 nan 0.000 0.460 338 N N 0.138 118.874 118.700 0.060 0.000 2.348 338 N HA 0.077 4.815 4.740 -0.003 0.000 0.183 338 N C 0.334 175.855 175.510 0.018 0.000 1.094 338 N CA 0.130 53.206 53.050 0.043 0.000 0.885 338 N CB 0.636 39.110 38.487 -0.022 0.000 1.065 338 N HN -0.088 nan 8.380 nan 0.000 0.472 339 A N 3.863 126.670 122.820 -0.021 0.000 2.451 339 A HA 0.301 4.619 4.320 -0.003 0.000 0.266 339 A C -2.096 175.492 177.584 0.005 0.000 1.119 339 A CA -0.932 51.093 52.037 -0.020 0.000 0.786 339 A CB 0.010 19.042 19.000 0.052 0.000 1.061 339 A HN 0.007 nan 8.150 nan 0.000 0.503 340 P HA 0.318 nan 4.420 nan 0.000 0.274 340 P C -0.559 176.852 177.300 0.185 0.000 1.237 340 P CA -0.279 62.880 63.100 0.098 0.000 0.793 340 P CB 0.821 32.602 31.700 0.135 0.000 0.977 341 R N 0.585 121.163 120.500 0.130 0.000 2.573 341 R HA 0.808 5.146 4.340 -0.003 0.000 0.272 341 R C -0.085 176.286 176.300 0.118 0.000 1.009 341 R CA -0.397 55.774 56.100 0.118 0.000 1.059 341 R CB 0.850 31.161 30.300 0.017 0.000 1.112 341 R HN 0.656 nan 8.270 nan 0.000 0.517 342 A N 1.214 124.058 122.820 0.041 0.000 2.601 342 A HA 0.618 4.937 4.320 -0.003 0.000 0.291 342 A C -1.535 175.855 177.584 -0.323 0.000 1.075 342 A CA -0.844 51.111 52.037 -0.138 0.000 0.671 342 A CB 1.385 20.270 19.000 -0.192 0.000 1.277 342 A HN 0.428 nan 8.150 nan 0.000 0.417 343 M N 0.726 120.051 119.600 -0.458 0.000 2.300 343 M HA 0.723 5.202 4.480 -0.003 0.000 0.348 343 M C -0.014 175.852 176.300 -0.724 0.000 1.151 343 M CA -0.316 54.667 55.300 -0.528 0.000 1.046 343 M CB 0.771 33.040 32.600 -0.551 0.000 1.647 343 M HN 1.306 nan 8.290 nan 0.000 0.451 344 A N 2.801 125.181 122.820 -0.735 0.000 2.547 344 A HA 0.740 5.058 4.320 -0.003 0.000 0.297 344 A C -1.347 176.015 177.584 -0.370 0.000 1.056 344 A CA -0.660 50.891 52.037 -0.810 0.000 0.688 344 A CB 1.566 19.544 19.000 -1.703 0.000 1.282 344 A HN 0.528 nan 8.150 nan 0.000 0.400 345 V N 4.022 123.808 119.914 -0.212 0.000 2.350 345 V HA 0.272 4.391 4.120 -0.003 0.000 0.285 345 V C 0.816 176.842 176.094 -0.113 0.000 1.014 345 V CA -0.115 62.173 62.300 -0.020 0.000 0.831 345 V CB 0.889 32.751 31.823 0.065 0.000 1.000 345 V HN 0.885 nan 8.190 nan 0.000 0.433 346 I N 1.550 122.082 120.570 -0.064 0.000 2.333 346 I HA 0.049 4.217 4.170 -0.003 0.000 0.246 346 I C 0.959 177.033 176.117 -0.071 0.000 1.106 346 I CA 1.133 62.383 61.300 -0.083 0.000 1.411 346 I CB 0.287 38.280 38.000 -0.012 0.000 1.082 346 I HN 0.563 nan 8.210 nan 0.000 0.420 347 D N 2.449 122.843 120.400 -0.010 0.000 2.460 347 D HA 0.219 4.857 4.640 -0.003 0.000 0.268 347 D C -2.444 173.872 176.300 0.027 0.000 1.153 347 D CA -1.786 52.213 54.000 -0.002 0.000 0.929 347 D CB 1.202 42.023 40.800 0.035 0.000 1.015 347 D HN 0.014 nan 8.370 nan 0.000 0.502 348 P HA 0.109 nan 4.420 nan 0.000 0.275 348 P C -0.509 176.911 177.300 0.199 0.000 1.227 348 P CA -0.405 62.740 63.100 0.076 0.000 0.781 348 P CB 2.249 33.858 31.700 -0.151 0.000 0.906 349 V N 3.224 123.351 119.914 0.356 0.000 2.733 349 V HA 0.327 4.446 4.120 -0.003 0.000 0.306 349 V C -0.267 175.990 176.094 0.272 0.000 1.084 349 V CA -1.126 61.352 62.300 0.296 0.000 0.905 349 V CB 2.115 34.015 31.823 0.128 0.000 1.010 349 V HN 0.524 nan 8.190 nan 0.000 0.424 350 K N 5.206 125.657 120.400 0.084 0.000 2.326 350 K HA 0.522 4.841 4.320 -0.003 0.000 0.275 350 K C -0.993 175.380 176.600 -0.378 0.000 1.018 350 K CA -0.147 55.924 56.287 -0.360 0.000 0.962 350 K CB 0.878 33.057 32.500 -0.535 0.000 0.953 350 K HN 0.702 nan 8.250 nan 0.000 0.475 351 L N 5.773 126.722 121.223 -0.457 0.000 2.441 351 L HA 0.419 4.758 4.340 -0.003 0.000 0.270 351 L C -1.280 175.291 176.870 -0.499 0.000 0.973 351 L CA -0.922 53.649 54.840 -0.448 0.000 0.842 351 L CB 1.611 43.477 42.059 -0.320 0.000 1.239 351 L HN 0.543 nan 8.230 nan 0.000 0.406 352 V N 2.777 122.354 119.914 -0.563 0.000 2.483 352 V HA 0.550 4.669 4.120 -0.003 0.000 0.295 352 V C 0.040 175.957 176.094 -0.295 0.000 1.035 352 V CA -0.489 61.532 62.300 -0.465 0.000 0.896 352 V CB 1.609 33.128 31.823 -0.508 0.000 0.986 352 V HN 0.677 nan 8.190 nan 0.000 0.447 353 I N 3.799 124.225 120.570 -0.241 0.000 2.316 353 I HA 0.304 4.472 4.170 -0.003 0.000 0.286 353 I C 1.208 177.321 176.117 -0.006 0.000 1.107 353 I CA -0.129 61.103 61.300 -0.113 0.000 1.219 353 I CB 0.553 38.436 38.000 -0.195 0.000 1.455 353 I HN 0.793 nan 8.210 nan 0.000 0.498 354 E N 2.677 122.907 120.200 0.051 0.000 2.331 354 E HA -0.228 4.120 4.350 -0.003 0.000 0.199 354 E C 1.709 178.368 176.600 0.099 0.000 1.008 354 E CA 0.660 57.111 56.400 0.085 0.000 0.843 354 E CB -0.007 29.767 29.700 0.124 0.000 0.761 354 E HN 0.589 nan 8.360 nan 0.000 0.507 355 N N 0.171 118.961 118.700 0.150 0.000 2.409 355 N HA -0.115 4.624 4.740 -0.003 0.000 0.179 355 N C -0.121 175.580 175.510 0.319 0.000 1.032 355 N CA 0.234 53.418 53.050 0.223 0.000 0.898 355 N CB 0.140 38.809 38.487 0.304 0.000 0.971 355 N HN 0.095 nan 8.380 nan 0.000 0.441 356 Y N 2.636 122.952 120.300 0.028 0.000 2.411 356 Y HA 0.067 4.615 4.550 -0.003 0.000 0.333 356 Y C 0.067 175.941 175.900 -0.043 0.000 1.186 356 Y CA -0.225 57.792 58.100 -0.139 0.000 1.381 356 Y CB 0.510 38.725 38.460 -0.407 0.000 1.273 356 Y HN 0.116 nan 8.280 nan 0.000 0.546 357 Q N 4.576 124.059 119.800 -0.529 0.000 2.330 357 Q HA 0.703 5.042 4.340 -0.003 0.000 0.269 357 Q C -0.325 175.423 176.000 -0.421 0.000 1.022 357 Q CA -0.389 55.219 55.803 -0.325 0.000 0.796 357 Q CB 1.506 30.123 28.738 -0.200 0.000 1.271 357 Q HN 1.011 nan 8.270 nan 0.000 0.450 358 G N 2.387 111.092 108.800 -0.158 0.000 2.422 358 G HA2 -0.128 3.831 3.960 -0.003 0.000 0.607 358 G HA3 -0.128 3.831 3.960 -0.003 0.000 0.607 358 G C -0.353 174.589 174.900 0.071 0.000 1.270 358 G CA -0.284 44.777 45.100 -0.065 0.000 0.992 358 G HN 0.405 nan 8.290 nan 0.000 0.499 359 E N 0.590 120.848 120.200 0.098 0.000 2.474 359 E HA 0.414 4.762 4.350 -0.003 0.000 0.195 359 E C 1.232 177.960 176.600 0.214 0.000 1.039 359 E CA 1.351 57.825 56.400 0.123 0.000 0.881 359 E CB 0.525 30.271 29.700 0.077 0.000 0.970 359 E HN 1.985 nan 8.360 nan 0.000 0.486 360 G N 1.508 110.506 108.800 0.329 0.000 2.343 360 G HA2 0.016 3.974 3.960 -0.003 0.000 0.465 360 G HA3 0.016 3.974 3.960 -0.003 0.000 0.465 360 G C -0.913 174.187 174.900 0.334 0.000 1.282 360 G CA -0.269 45.059 45.100 0.379 0.000 0.996 360 G HN 0.122 nan 8.290 nan 0.000 0.521 361 E N -2.262 118.126 120.200 0.312 0.000 2.408 361 E HA 0.782 5.131 4.350 -0.003 0.000 0.266 361 E C -1.320 175.386 176.600 0.177 0.000 1.025 361 E CA -1.152 55.394 56.400 0.243 0.000 0.881 361 E CB 1.455 31.337 29.700 0.303 0.000 1.660 361 E HN 0.695 nan 8.360 nan 0.000 0.458 362 M N 1.774 121.458 119.600 0.140 0.000 2.393 362 M HA 0.391 4.870 4.480 -0.003 0.000 0.316 362 M C -1.385 174.972 176.300 0.096 0.000 1.087 362 M CA -0.818 54.544 55.300 0.103 0.000 0.937 362 M CB 2.094 34.734 32.600 0.067 0.000 1.668 362 M HN 0.532 nan 8.290 nan 0.000 0.438 363 V N 0.398 120.375 119.914 0.105 0.000 2.680 363 V HA 0.772 4.891 4.120 -0.003 0.000 0.309 363 V C -0.304 175.819 176.094 0.049 0.000 1.052 363 V CA -0.532 61.802 62.300 0.058 0.000 0.908 363 V CB 1.632 33.502 31.823 0.077 0.000 1.001 363 V HN 0.773 nan 8.190 nan 0.000 0.431 364 T N 6.303 120.869 114.554 0.019 0.000 2.817 364 T HA 0.619 4.967 4.350 -0.003 0.000 0.293 364 T C -0.220 174.493 174.700 0.022 0.000 0.964 364 T CA -0.031 62.081 62.100 0.020 0.000 1.085 364 T CB 0.540 69.415 68.868 0.012 0.000 0.921 364 T HN 0.720 nan 8.240 nan 0.000 0.502 365 M N 4.381 123.994 119.600 0.022 0.000 2.395 365 M HA 0.375 4.853 4.480 -0.003 0.000 0.307 365 M C -2.597 173.721 176.300 0.030 0.000 1.091 365 M CA -2.313 53.000 55.300 0.021 0.000 0.919 365 M CB 2.546 35.145 32.600 -0.001 0.000 1.662 365 M HN 0.218 nan 8.290 nan 0.000 0.440 366 P HA 0.156 nan 4.420 nan 0.000 0.275 366 P C -0.141 177.205 177.300 0.078 0.000 1.227 366 P CA -0.201 62.935 63.100 0.061 0.000 0.781 366 P CB 0.585 32.327 31.700 0.070 0.000 0.906 367 N N 0.711 119.468 118.700 0.095 0.000 2.396 367 N HA -0.123 4.615 4.740 -0.003 0.000 0.180 367 N C -0.053 175.557 175.510 0.167 0.000 1.028 367 N CA 1.141 54.262 53.050 0.117 0.000 0.893 367 N CB -0.133 38.424 38.487 0.116 0.000 0.967 367 N HN 0.613 nan 8.380 nan 0.000 0.440 368 H N -1.303 117.798 119.070 0.053 0.000 3.235 368 H HA 0.156 4.712 4.556 0.000 0.000 0.324 368 H C -2.143 173.210 175.328 0.042 0.000 1.059 368 H CA -1.346 54.735 56.048 0.054 0.000 1.497 368 H CB 2.053 31.846 29.762 0.052 0.000 1.986 368 H HN -0.169 nan 8.280 nan 0.000 0.444 369 P HA -0.193 nan 4.420 nan 0.000 0.202 369 P C 0.644 178.015 177.300 0.118 0.000 1.121 369 P CA 1.497 64.718 63.100 0.201 0.000 0.939 369 P CB 0.192 31.999 31.700 0.178 0.000 0.761 370 N N -0.820 117.948 118.700 0.114 0.000 2.659 370 N HA -0.121 4.618 4.740 -0.003 0.000 0.194 370 N C -0.115 175.263 175.510 -0.221 0.000 1.140 370 N CA 1.131 54.153 53.050 -0.047 0.000 0.936 370 N CB -0.531 37.953 38.487 -0.005 0.000 0.970 370 N HN 0.295 nan 8.380 nan 0.000 0.449 371 K N -0.269 119.945 120.400 -0.309 0.000 2.814 371 K HA 0.139 4.457 4.320 -0.003 0.000 0.205 371 K C -2.089 174.450 176.600 -0.103 0.000 1.093 371 K CA -1.205 54.911 56.287 -0.285 0.000 1.035 371 K CB 2.122 34.304 32.500 -0.531 0.000 1.220 371 K HN -0.066 nan 8.250 nan 0.000 0.576 372 P HA -0.255 nan 4.420 nan 0.000 0.221 372 P C 0.852 178.151 177.300 -0.002 0.000 1.145 372 P CA 1.269 64.365 63.100 -0.007 0.000 0.795 372 P CB 0.362 32.059 31.700 -0.006 0.000 0.775 373 E N 0.118 120.307 120.200 -0.018 0.000 2.333 373 E HA -0.143 4.205 4.350 -0.003 0.000 0.198 373 E C 1.612 178.217 176.600 0.007 0.000 1.007 373 E CA 0.820 57.215 56.400 -0.008 0.000 0.845 373 E CB -0.965 28.723 29.700 -0.019 0.000 0.766 373 E HN 0.343 nan 8.360 nan 0.000 0.507 374 M N 0.958 120.569 119.600 0.019 0.000 2.628 374 M HA 0.143 4.621 4.480 -0.003 0.000 0.232 374 M C 0.754 177.089 176.300 0.058 0.000 1.128 374 M CA 0.605 55.935 55.300 0.050 0.000 1.040 374 M CB 0.112 32.769 32.600 0.094 0.000 1.608 374 M HN 0.268 nan 8.290 nan 0.000 0.507 375 G N 0.906 109.732 108.800 0.043 0.000 2.752 375 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.234 375 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.234 375 G C -0.309 174.623 174.900 0.053 0.000 1.367 375 G CA -0.207 44.919 45.100 0.043 0.000 0.879 375 G HN 0.590 nan 8.290 nan 0.000 0.563 376 S N -1.157 114.571 115.700 0.047 0.000 2.740 376 S HA 0.939 5.407 4.470 -0.003 0.000 0.300 376 S C -0.274 174.352 174.600 0.043 0.000 1.147 376 S CA 0.181 58.409 58.200 0.046 0.000 0.871 376 S CB 2.379 65.601 63.200 0.036 0.000 1.173 376 S HN 1.849 nan 8.310 nan 0.000 0.510 377 R N -0.476 120.047 120.500 0.037 0.000 2.764 377 R HA 0.655 4.994 4.340 -0.003 0.000 0.270 377 R C -1.786 174.528 176.300 0.023 0.000 1.014 377 R CA -0.925 55.194 56.100 0.032 0.000 0.904 377 R CB 1.009 31.329 30.300 0.033 0.000 1.236 377 R HN 0.495 nan 8.270 nan 0.000 0.466 378 Q N 1.230 121.044 119.800 0.023 0.000 2.331 378 Q HA 0.410 4.749 4.340 -0.003 0.000 0.257 378 Q C -1.315 174.692 176.000 0.011 0.000 0.957 378 Q CA -0.492 55.325 55.803 0.023 0.000 0.923 378 Q CB 1.960 30.715 28.738 0.029 0.000 1.212 378 Q HN 0.504 nan 8.270 nan 0.000 0.443 379 V N 6.713 126.635 119.914 0.013 0.000 2.555 379 V HA 0.576 4.694 4.120 -0.003 0.000 0.302 379 V C -2.241 173.873 176.094 0.032 0.000 1.038 379 V CA -1.981 60.311 62.300 -0.013 0.000 0.887 379 V CB 1.876 33.662 31.823 -0.061 0.000 0.991 379 V HN 0.774 nan 8.190 nan 0.000 0.434 380 P HA 0.249 nan 4.420 nan 0.000 0.276 380 P C -1.136 176.215 177.300 0.086 0.000 1.235 380 P CA -0.006 63.005 63.100 -0.148 0.000 0.772 380 P CB 0.812 32.110 31.700 -0.669 0.000 0.871 381 F N 3.101 123.053 119.950 0.004 0.000 2.538 381 F HA 0.601 5.126 4.527 -0.002 0.000 0.325 381 F C -0.252 175.410 175.800 -0.230 0.000 1.066 381 F CA 0.064 58.059 58.000 -0.007 0.000 0.946 381 F CB 2.053 41.024 39.000 -0.049 0.000 1.199 381 F HN 0.535 nan 8.300 nan 0.000 0.473 382 S N 1.766 116.735 115.700 -1.218 0.000 2.757 382 S HA 0.505 4.973 4.470 -0.003 0.000 0.285 382 S C 0.188 173.938 174.600 -1.416 0.000 1.196 382 S CA -0.276 57.344 58.200 -0.966 0.000 0.856 382 S CB 0.927 63.925 63.200 -0.337 0.000 1.212 382 S HN 1.017 nan 8.310 nan 0.000 0.516 383 G N -0.569 107.736 108.800 -0.826 0.000 2.777 383 G HA2 0.271 4.229 3.960 -0.003 0.000 0.211 383 G HA3 0.271 4.229 3.960 -0.003 0.000 0.211 383 G C -0.002 174.598 174.900 -0.500 0.000 1.149 383 G CA 0.036 44.786 45.100 -0.584 0.000 0.785 383 G HN 0.645 nan 8.290 nan 0.000 0.536 384 E N 0.584 120.484 120.200 -0.499 0.000 2.186 384 E HA 0.445 4.794 4.350 -0.003 0.000 0.255 384 E C -0.549 175.700 176.600 -0.584 0.000 0.881 384 E CA -0.425 55.666 56.400 -0.515 0.000 0.752 384 E CB 1.761 31.193 29.700 -0.447 0.000 1.176 384 E HN 0.449 nan 8.360 nan 0.000 0.421 385 I N -1.702 118.506 120.570 -0.603 0.000 3.206 385 I HA 0.669 4.837 4.170 -0.003 0.000 0.313 385 I C -1.083 174.742 176.117 -0.487 0.000 1.103 385 I CA -1.224 59.794 61.300 -0.470 0.000 0.985 385 I CB 1.774 39.574 38.000 -0.334 0.000 1.240 385 I HN 0.312 nan 8.210 nan 0.000 0.464 386 W N 2.915 124.151 121.300 -0.106 0.000 2.666 386 W HA 0.774 5.432 4.660 -0.003 0.000 0.334 386 W C -0.418 176.091 176.519 -0.017 0.000 1.051 386 W CA -0.596 56.695 57.345 -0.089 0.000 1.224 386 W CB 1.856 31.268 29.460 -0.080 0.000 1.405 386 W HN 0.498 nan 8.180 nan 0.000 0.513 387 I N -1.416 119.295 120.570 0.235 0.000 3.074 387 I HA 0.567 4.736 4.170 -0.003 0.000 0.310 387 I C -1.143 175.026 176.117 0.086 0.000 1.153 387 I CA -1.239 60.117 61.300 0.092 0.000 0.993 387 I CB 2.128 40.150 38.000 0.036 0.000 1.237 387 I HN 0.181 nan 8.210 nan 0.000 0.443 388 D N 1.621 122.017 120.400 -0.007 0.000 2.308 388 D HA 0.280 4.919 4.640 -0.003 0.000 0.251 388 D C 1.069 177.429 176.300 0.101 0.000 1.127 388 D CA -0.160 53.873 54.000 0.056 0.000 0.876 388 D CB 1.294 42.133 40.800 0.065 0.000 1.176 388 D HN 0.493 nan 8.370 nan 0.000 0.446 389 R N 2.797 123.370 120.500 0.121 0.000 2.119 389 R HA -0.220 4.119 4.340 -0.003 0.000 0.246 389 R C 1.817 178.227 176.300 0.184 0.000 1.146 389 R CA 1.471 57.665 56.100 0.156 0.000 0.962 389 R CB -0.323 30.053 30.300 0.128 0.000 0.863 389 R HN 0.517 nan 8.270 nan 0.000 0.442 390 A N 0.948 123.859 122.820 0.151 0.000 2.225 390 A HA -0.141 4.178 4.320 -0.003 0.000 0.215 390 A C 0.980 178.697 177.584 0.222 0.000 1.164 390 A CA 1.348 53.485 52.037 0.167 0.000 0.710 390 A CB -0.096 18.985 19.000 0.134 0.000 0.780 390 A HN 0.204 nan 8.150 nan 0.000 0.473 391 D N -2.104 118.420 120.400 0.206 0.000 2.349 391 D HA 0.180 4.819 4.640 -0.003 0.000 0.214 391 D C -0.515 176.000 176.300 0.358 0.000 1.063 391 D CA 0.158 54.279 54.000 0.202 0.000 0.847 391 D CB 0.209 41.053 40.800 0.072 0.000 0.933 391 D HN 0.419 nan 8.370 nan 0.000 0.513 392 F N 1.202 121.279 119.950 0.211 0.000 2.482 392 F HA 0.554 5.080 4.527 -0.003 0.000 0.331 392 F C -0.713 175.152 175.800 0.108 0.000 1.115 392 F CA -0.912 57.193 58.000 0.174 0.000 0.955 392 F CB 1.186 40.240 39.000 0.090 0.000 1.136 392 F HN -0.450 nan 8.300 nan 0.000 0.452 393 R N 3.865 123.830 120.500 -0.892 0.000 2.574 393 R HA 0.299 4.638 4.340 -0.003 0.000 0.288 393 R C 0.546 176.242 176.300 -1.007 0.000 1.004 393 R CA -0.485 55.071 56.100 -0.907 0.000 0.895 393 R CB 1.619 31.298 30.300 -1.035 0.000 1.191 393 R HN 0.789 nan 8.270 nan 0.000 0.444 394 E N 1.343 121.114 120.200 -0.714 0.000 2.208 394 E HA -0.160 4.189 4.350 -0.003 0.000 0.193 394 E C -0.025 176.422 176.600 -0.256 0.000 0.988 394 E CA 1.351 57.515 56.400 -0.393 0.000 0.828 394 E CB 0.480 30.087 29.700 -0.156 0.000 0.763 394 E HN 0.556 nan 8.360 nan 0.000 0.478 395 E N -0.103 119.926 120.200 -0.284 0.000 3.208 395 E HA 0.462 4.811 4.350 -0.003 0.000 0.217 395 E C 0.002 176.452 176.600 -0.250 0.000 1.211 395 E CA 0.039 56.318 56.400 -0.202 0.000 1.104 395 E CB -0.356 29.260 29.700 -0.140 0.000 2.792 395 E HN 0.103 nan 8.360 nan 0.000 0.552 396 A N 1.506 124.162 122.820 -0.272 0.000 2.861 396 A HA -0.124 4.195 4.320 -0.003 0.000 0.672 396 A C 0.409 177.917 177.584 -0.126 0.000 0.374 396 A CA 0.435 52.299 52.037 -0.288 0.000 0.264 396 A CB -1.625 16.976 19.000 -0.665 0.000 3.872 396 A HN 0.589 nan 8.150 nan 0.000 0.543 397 N N 1.120 119.788 118.700 -0.054 0.000 2.245 397 N HA 0.150 4.888 4.740 -0.003 0.000 0.269 397 N C 0.664 176.198 175.510 0.041 0.000 1.278 397 N CA 0.976 54.027 53.050 0.002 0.000 0.920 397 N CB -0.090 38.408 38.487 0.019 0.000 1.012 397 N HN 0.661 nan 8.380 nan 0.000 0.467 398 K N -0.781 119.648 120.400 0.047 0.000 2.284 398 K HA 0.129 4.447 4.320 -0.003 0.000 0.198 398 K C 2.094 178.739 176.600 0.074 0.000 1.048 398 K CA 0.566 56.886 56.287 0.055 0.000 0.987 398 K CB -0.056 32.466 32.500 0.036 0.000 0.800 398 K HN 0.337 nan 8.250 nan 0.000 0.486 399 Q N 0.135 119.983 119.800 0.080 0.000 2.020 399 Q HA -0.106 4.233 4.340 -0.003 0.000 0.202 399 Q C 0.198 176.260 176.000 0.102 0.000 0.982 399 Q CA 0.840 56.689 55.803 0.077 0.000 0.838 399 Q CB -0.489 28.293 28.738 0.072 0.000 0.899 399 Q HN 0.368 nan 8.270 nan 0.000 0.423 400 Y N 3.329 123.631 120.300 0.003 0.000 2.831 400 Y HA -0.216 4.333 4.550 -0.002 0.000 0.378 400 Y C 1.145 177.049 175.900 0.008 0.000 1.332 400 Y CA 0.766 58.867 58.100 0.002 0.000 1.693 400 Y CB 0.133 38.584 38.460 -0.015 0.000 1.191 400 Y HN 0.066 nan 8.280 nan 0.000 0.516 401 K N 4.313 124.577 120.400 -0.228 0.000 2.417 401 K HA 0.221 4.540 4.320 -0.003 0.000 0.196 401 K C 0.316 176.797 176.600 -0.198 0.000 1.023 401 K CA -0.009 56.194 56.287 -0.140 0.000 1.122 401 K CB 0.522 32.967 32.500 -0.093 0.000 0.850 401 K HN 0.464 nan 8.250 nan 0.000 0.521 402 R N 0.375 120.581 120.500 -0.489 0.000 2.603 402 R HA 0.285 4.623 4.340 -0.003 0.000 0.231 402 R C -0.456 175.904 176.300 0.100 0.000 1.263 402 R CA -1.126 54.807 56.100 -0.278 0.000 1.102 402 R CB 0.258 30.260 30.300 -0.497 0.000 1.527 402 R HN -0.010 nan 8.270 nan 0.000 0.554 403 L N 1.498 122.840 121.223 0.199 0.000 2.562 403 L HA 0.080 4.418 4.340 -0.003 0.000 0.271 403 L C -1.059 175.980 176.870 0.281 0.000 1.167 403 L CA 0.704 55.714 54.840 0.283 0.000 0.917 403 L CB 0.374 42.642 42.059 0.349 0.000 1.187 403 L HN 0.175 nan 8.230 nan 0.000 0.482 404 V N 6.422 126.440 119.914 0.174 0.000 2.495 404 V HA 0.224 4.342 4.120 -0.003 0.000 0.298 404 V C -0.075 176.053 176.094 0.057 0.000 1.031 404 V CA -1.087 61.206 62.300 -0.013 0.000 0.871 404 V CB 1.710 33.539 31.823 0.010 0.000 0.988 404 V HN 0.631 nan 8.190 nan 0.000 0.432 405 L N 5.649 126.865 121.223 -0.012 0.000 2.865 405 L HA 0.336 4.674 4.340 -0.003 0.000 0.283 405 L C 1.132 178.061 176.870 0.099 0.000 1.101 405 L CA 1.986 56.926 54.840 0.167 0.000 1.061 405 L CB -0.773 41.365 42.059 0.132 0.000 1.437 405 L HN 1.041 nan 8.230 nan 0.000 0.460 406 G N 2.309 111.180 108.800 0.118 0.000 2.255 406 G HA2 -0.216 3.743 3.960 -0.003 0.000 0.196 406 G HA3 -0.216 3.743 3.960 -0.003 0.000 0.196 406 G C 0.183 175.126 174.900 0.071 0.000 0.998 406 G CA 0.077 45.224 45.100 0.077 0.000 0.656 406 G HN 0.721 nan 8.290 nan 0.000 0.490 407 K N 1.041 121.494 120.400 0.087 0.000 2.280 407 K HA 0.745 5.064 4.320 -0.003 0.000 0.234 407 K C -0.357 176.303 176.600 0.100 0.000 1.028 407 K CA -0.611 55.724 56.287 0.081 0.000 0.882 407 K CB 1.162 33.709 32.500 0.079 0.000 1.194 407 K HN 0.274 nan 8.250 nan 0.000 0.458 408 E N -0.372 119.879 120.200 0.086 0.000 2.320 408 E HA 0.635 4.984 4.350 -0.003 0.000 0.264 408 E C -1.073 175.578 176.600 0.084 0.000 0.923 408 E CA -1.208 55.245 56.400 0.088 0.000 0.796 408 E CB 1.595 31.337 29.700 0.070 0.000 1.262 408 E HN 0.326 nan 8.360 nan 0.000 0.428 409 V N -1.876 118.089 119.914 0.085 0.000 3.114 409 V HA 0.732 4.850 4.120 -0.003 0.000 0.308 409 V C -0.775 175.362 176.094 0.072 0.000 1.168 409 V CA -1.359 60.985 62.300 0.074 0.000 1.015 409 V CB 1.944 33.814 31.823 0.079 0.000 1.050 409 V HN 0.593 nan 8.190 nan 0.000 0.433 410 R N 2.022 122.562 120.500 0.066 0.000 2.265 410 R HA 0.598 4.936 4.340 -0.003 0.000 0.314 410 R C -0.706 175.649 176.300 0.093 0.000 1.053 410 R CA -0.556 55.586 56.100 0.071 0.000 0.931 410 R CB 0.308 30.644 30.300 0.061 0.000 1.024 410 R HN 0.874 nan 8.270 nan 0.000 0.457 411 L N 5.114 126.387 121.223 0.084 0.000 2.313 411 L HA 0.322 4.660 4.340 -0.003 0.000 0.282 411 L C 0.871 177.902 176.870 0.267 0.000 1.092 411 L CA -0.609 54.302 54.840 0.117 0.000 0.831 411 L CB 0.682 42.639 42.059 -0.170 0.000 1.159 411 L HN 0.463 nan 8.230 nan 0.000 0.442 412 R N 3.890 124.639 120.500 0.415 0.000 2.504 412 R HA -0.175 4.164 4.340 -0.003 0.000 0.302 412 R C 0.606 177.117 176.300 0.351 0.000 0.893 412 R CA 0.913 57.206 56.100 0.323 0.000 1.138 412 R CB -0.665 29.780 30.300 0.243 0.000 0.880 412 R HN 0.798 nan 8.270 nan 0.000 0.415 413 N N 0.118 118.920 118.700 0.169 0.000 2.713 413 N HA -0.332 4.407 4.740 -0.003 0.000 0.251 413 N C -0.272 175.270 175.510 0.054 0.000 1.117 413 N CA 0.928 54.038 53.050 0.101 0.000 0.770 413 N CB -0.318 38.230 38.487 0.101 0.000 1.137 413 N HN 0.735 nan 8.380 nan 0.000 0.566 414 A N -0.738 122.102 122.820 0.033 0.000 3.969 414 A HA 0.716 5.034 4.320 -0.003 0.000 0.168 414 A C -0.766 176.597 177.584 -0.368 0.000 0.806 414 A CA -0.447 51.437 52.037 -0.255 0.000 0.871 414 A CB 0.310 19.223 19.000 -0.146 0.000 1.498 414 A HN 0.139 nan 8.150 nan 0.000 0.779 415 Y N -0.917 119.265 120.300 -0.196 0.000 2.392 415 Y HA 0.510 5.059 4.550 -0.002 0.000 0.323 415 Y C 0.507 176.396 175.900 -0.018 0.000 1.291 415 Y CA -0.569 57.475 58.100 -0.093 0.000 1.345 415 Y CB 0.780 39.213 38.460 -0.045 0.000 1.320 415 Y HN 0.257 nan 8.280 nan 0.000 0.518 416 V N 3.593 123.627 119.914 0.200 0.000 2.607 416 V HA 0.358 4.476 4.120 -0.003 0.000 0.289 416 V C -0.021 176.156 176.094 0.139 0.000 1.053 416 V CA -0.563 61.811 62.300 0.123 0.000 0.996 416 V CB 0.780 32.652 31.823 0.083 0.000 0.995 416 V HN 0.605 nan 8.190 nan 0.000 0.476 417 I N 1.473 122.109 120.570 0.109 0.000 2.828 417 I HA 0.702 4.870 4.170 -0.003 0.000 0.302 417 I C -0.798 175.373 176.117 0.089 0.000 1.101 417 I CA -0.948 60.416 61.300 0.107 0.000 1.031 417 I CB 2.167 40.214 38.000 0.079 0.000 1.231 417 I HN 0.537 nan 8.210 nan 0.000 0.427 418 K N 4.207 124.659 120.400 0.087 0.000 2.413 418 K HA 0.751 5.069 4.320 -0.003 0.000 0.257 418 K C -0.831 175.829 176.600 0.099 0.000 0.946 418 K CA -0.561 55.779 56.287 0.090 0.000 0.823 418 K CB 1.895 34.438 32.500 0.072 0.000 1.109 418 K HN 0.938 nan 8.250 nan 0.000 0.427 419 A N 3.787 126.689 122.820 0.137 0.000 2.401 419 A HA 0.218 4.536 4.320 -0.003 0.000 0.259 419 A C 0.039 177.715 177.584 0.153 0.000 1.103 419 A CA -0.023 52.111 52.037 0.160 0.000 0.789 419 A CB 0.340 19.540 19.000 0.334 0.000 1.035 419 A HN 1.019 nan 8.150 nan 0.000 0.491 420 E N 0.259 120.539 120.200 0.134 0.000 2.617 420 E HA 0.120 4.469 4.350 -0.003 0.000 0.208 420 E C 0.072 176.733 176.600 0.102 0.000 0.888 420 E CA -0.084 56.382 56.400 0.109 0.000 1.485 420 E CB 0.729 30.476 29.700 0.078 0.000 1.482 420 E HN 0.557 nan 8.360 nan 0.000 0.813 421 R N 1.751 122.326 120.500 0.126 0.000 2.531 421 R HA 0.331 4.670 4.340 -0.003 0.000 0.293 421 R C -1.544 174.866 176.300 0.184 0.000 1.124 421 R CA -0.166 55.990 56.100 0.094 0.000 0.945 421 R CB 1.990 32.269 30.300 -0.037 0.000 1.195 421 R HN -0.019 nan 8.270 nan 0.000 0.433 422 V N 2.472 122.483 119.914 0.162 0.000 3.369 422 V HA 0.549 4.668 4.120 -0.003 0.000 0.309 422 V C -0.528 175.665 176.094 0.164 0.000 1.069 422 V CA -0.236 62.161 62.300 0.162 0.000 1.042 422 V CB 1.837 33.782 31.823 0.203 0.000 1.192 422 V HN 0.883 nan 8.190 nan 0.000 0.447 423 E N 1.556 121.851 120.200 0.159 0.000 2.321 423 E HA 0.444 4.793 4.350 -0.003 0.000 0.281 423 E C -1.483 175.177 176.600 0.100 0.000 0.910 423 E CA -0.687 55.795 56.400 0.136 0.000 0.770 423 E CB 1.779 31.621 29.700 0.237 0.000 1.225 423 E HN 0.691 nan 8.360 nan 0.000 0.417 424 K N 2.058 122.503 120.400 0.075 0.000 2.303 424 K HA 0.392 4.710 4.320 -0.003 0.000 0.233 424 K C -0.390 176.241 176.600 0.051 0.000 1.046 424 K CA -0.816 55.510 56.287 0.064 0.000 0.895 424 K CB 0.977 33.512 32.500 0.059 0.000 1.220 424 K HN 0.590 nan 8.250 nan 0.000 0.470 425 D N -0.723 119.704 120.400 0.045 0.000 2.726 425 D HA 0.258 4.897 4.640 -0.003 0.000 0.241 425 D C 0.884 177.202 176.300 0.030 0.000 1.150 425 D CA -0.429 53.594 54.000 0.037 0.000 1.089 425 D CB 0.034 40.857 40.800 0.038 0.000 1.260 425 D HN 0.400 nan 8.370 nan 0.000 0.637 426 A N 0.349 123.185 122.820 0.026 0.000 1.862 426 A HA -0.282 4.036 4.320 -0.003 0.000 0.217 426 A C 1.796 179.392 177.584 0.021 0.000 1.251 426 A CA 2.415 54.464 52.037 0.021 0.000 0.673 426 A CB -1.426 17.585 19.000 0.018 0.000 0.843 426 A HN 0.764 nan 8.150 nan 0.000 0.458 427 E N -0.344 119.869 120.200 0.022 0.000 2.520 427 E HA 0.166 4.515 4.350 -0.003 0.000 0.201 427 E C 0.924 177.539 176.600 0.025 0.000 1.122 427 E CA 0.481 56.894 56.400 0.021 0.000 0.896 427 E CB -0.780 28.933 29.700 0.021 0.000 0.891 427 E HN 0.962 nan 8.360 nan 0.000 0.533 428 G N 1.047 109.864 108.800 0.029 0.000 2.160 428 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.251 428 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.251 428 G C -0.400 174.526 174.900 0.044 0.000 1.008 428 G CA 0.304 45.425 45.100 0.034 0.000 0.724 428 G HN 0.419 nan 8.290 nan 0.000 0.514 429 N N -0.173 118.554 118.700 0.046 0.000 2.434 429 N HA 0.489 5.227 4.740 -0.003 0.000 0.272 429 N C 0.819 176.368 175.510 0.065 0.000 1.040 429 N CA -0.805 52.278 53.050 0.055 0.000 0.956 429 N CB 0.987 39.504 38.487 0.049 0.000 1.108 429 N HN 0.267 nan 8.380 nan 0.000 0.481 430 I N 1.573 122.192 120.570 0.082 0.000 2.775 430 I HA -0.128 4.041 4.170 -0.003 0.000 0.290 430 I C 1.636 177.790 176.117 0.061 0.000 1.203 430 I CA 0.680 62.029 61.300 0.083 0.000 1.433 430 I CB 0.446 38.513 38.000 0.112 0.000 1.354 430 I HN 0.753 nan 8.210 nan 0.000 0.579 431 T N -0.347 114.236 114.554 0.048 0.000 2.958 431 T HA 0.109 4.458 4.350 -0.003 0.000 0.256 431 T C 0.488 175.176 174.700 -0.021 0.000 0.983 431 T CA -0.010 62.112 62.100 0.037 0.000 0.924 431 T CB 0.547 69.443 68.868 0.047 0.000 1.136 431 T HN 0.660 nan 8.240 nan 0.000 0.506 432 T N 1.073 115.592 114.554 -0.058 0.000 3.767 432 T HA 0.504 4.852 4.350 -0.003 0.000 0.360 432 T C -1.808 172.710 174.700 -0.304 0.000 1.181 432 T CA -0.725 61.231 62.100 -0.239 0.000 1.110 432 T CB 0.604 69.283 68.868 -0.316 0.000 1.201 432 T HN 0.306 nan 8.240 nan 0.000 0.474 433 I N 5.244 125.545 120.570 -0.449 0.000 2.315 433 I HA 0.446 4.615 4.170 -0.003 0.000 0.291 433 I C -0.545 175.286 176.117 -0.476 0.000 1.006 433 I CA -0.714 60.320 61.300 -0.444 0.000 1.265 433 I CB 0.773 38.368 38.000 -0.675 0.000 1.387 433 I HN 0.506 nan 8.210 nan 0.000 0.475 434 F N 5.285 125.127 119.950 -0.180 0.000 2.410 434 F HA 0.486 5.012 4.527 -0.002 0.000 0.349 434 F C 0.357 176.105 175.800 -0.087 0.000 1.117 434 F CA -0.350 57.578 58.000 -0.120 0.000 1.104 434 F CB 1.040 39.992 39.000 -0.080 0.000 1.122 434 F HN 0.422 nan 8.300 nan 0.000 0.483 435 C N 0.384 119.708 119.300 0.039 0.000 3.259 435 C HA 0.885 5.343 4.460 -0.003 0.000 0.328 435 C C -0.101 174.933 174.990 0.073 0.000 1.425 435 C CA -0.905 58.141 59.018 0.047 0.000 1.465 435 C CB 2.042 29.780 27.740 -0.002 0.000 1.890 435 C HN 0.875 nan 8.230 nan 0.000 0.450 436 T N -0.908 113.704 114.554 0.096 0.000 2.907 436 T HA 0.782 5.130 4.350 -0.003 0.000 0.292 436 T C -1.140 173.678 174.700 0.196 0.000 1.043 436 T CA -0.386 61.801 62.100 0.144 0.000 1.003 436 T CB 1.655 70.580 68.868 0.095 0.000 1.084 436 T HN 1.052 nan 8.240 nan 0.000 0.483 437 Y N -0.477 119.819 120.300 -0.008 0.000 2.598 437 Y HA 0.753 5.301 4.550 -0.003 0.000 0.340 437 Y C -0.829 175.035 175.900 -0.059 0.000 1.038 437 Y CA -1.889 56.193 58.100 -0.029 0.000 1.100 437 Y CB 1.130 39.557 38.460 -0.055 0.000 1.281 437 Y HN 0.716 nan 8.280 nan 0.000 0.488 438 D N 1.464 121.677 120.400 -0.312 0.000 2.249 438 D HA 0.331 4.970 4.640 -0.003 0.000 0.246 438 D C 0.923 176.853 176.300 -0.617 0.000 1.114 438 D CA 0.453 54.228 54.000 -0.375 0.000 0.854 438 D CB 2.133 42.869 40.800 -0.108 0.000 1.132 438 D HN 0.936 nan 8.370 nan 0.000 0.461 439 A N 4.234 126.690 122.820 -0.607 0.000 1.869 439 A HA -0.214 4.105 4.320 -0.003 0.000 0.218 439 A C 0.979 178.465 177.584 -0.164 0.000 1.203 439 A CA 1.705 53.457 52.037 -0.475 0.000 0.638 439 A CB -0.223 18.614 19.000 -0.272 0.000 0.831 439 A HN 0.659 nan 8.150 nan 0.000 0.450 440 D N -1.102 119.265 120.400 -0.055 0.000 2.454 440 D HA 0.468 5.107 4.640 -0.003 0.000 0.247 440 D C -0.779 175.565 176.300 0.073 0.000 1.129 440 D CA 0.227 54.267 54.000 0.066 0.000 0.877 440 D CB 0.612 41.425 40.800 0.023 0.000 1.082 440 D HN 0.105 nan 8.370 nan 0.000 0.537 441 T N 3.060 117.712 114.554 0.163 0.000 3.839 441 T HA 0.464 4.812 4.350 -0.003 0.000 0.230 441 T C 0.026 174.735 174.700 0.015 0.000 1.095 441 T CA -0.691 61.467 62.100 0.096 0.000 1.470 441 T CB -0.801 68.144 68.868 0.128 0.000 0.881 441 T HN 0.449 nan 8.240 nan 0.000 0.637 455 V N 0.542 120.470 119.914 0.024 0.000 3.078 455 V HA 0.808 4.927 4.120 -0.003 0.000 0.311 455 V C -0.473 175.661 176.094 0.067 0.000 1.138 455 V CA -0.578 61.757 62.300 0.058 0.000 1.007 455 V CB 1.821 33.687 31.823 0.071 0.000 1.045 455 V HN 1.189 nan 8.190 nan 0.000 0.432 456 I N -0.323 120.310 120.570 0.104 0.000 2.827 456 I HA 0.716 4.884 4.170 -0.003 0.000 0.298 456 I C -0.505 175.712 176.117 0.167 0.000 1.235 456 I CA -0.906 60.447 61.300 0.088 0.000 1.021 456 I CB 2.262 40.265 38.000 0.005 0.000 1.259 456 I HN 0.896 nan 8.210 nan 0.000 0.427 457 H N 2.829 121.969 119.070 0.116 0.000 2.546 457 H HA 0.726 5.280 4.556 -0.003 0.000 0.365 457 H C -1.046 174.370 175.328 0.148 0.000 1.220 457 H CA -0.447 55.630 56.048 0.048 0.000 1.386 457 H CB 1.057 30.760 29.762 -0.099 0.000 1.510 457 H HN 0.843 nan 8.280 nan 0.000 0.591 458 W N -0.905 120.401 121.300 0.010 0.000 2.989 458 W HA 0.577 5.235 4.660 -0.003 0.000 0.344 458 W C -2.525 173.989 176.519 -0.007 0.000 1.233 458 W CA -1.153 56.171 57.345 -0.035 0.000 1.187 458 W CB 0.487 29.911 29.460 -0.059 0.000 1.443 458 W HN 0.609 nan 8.180 nan 0.000 0.573 459 V N 1.828 121.844 119.914 0.170 0.000 2.668 459 V HA 0.233 4.351 4.120 -0.003 0.000 0.304 459 V C 0.100 176.359 176.094 0.276 0.000 1.071 459 V CA -0.637 61.675 62.300 0.020 0.000 0.894 459 V CB 1.637 33.471 31.823 0.019 0.000 1.008 459 V HN 0.607 nan 8.190 nan 0.000 0.425 460 S N 3.591 119.444 115.700 0.254 0.000 2.515 460 S HA 0.298 4.766 4.470 -0.003 0.000 0.285 460 S C 1.471 176.107 174.600 0.059 0.000 1.265 460 S CA 0.249 58.526 58.200 0.128 0.000 1.079 460 S CB 1.053 64.341 63.200 0.147 0.000 0.877 460 S HN 1.151 nan 8.310 nan 0.000 0.493 461 A N 5.577 128.271 122.820 -0.210 0.000 1.940 461 A HA 0.016 4.334 4.320 -0.003 0.000 0.219 461 A C 2.368 179.873 177.584 -0.133 0.000 1.176 461 A CA 1.870 53.713 52.037 -0.323 0.000 0.631 461 A CB -1.239 17.224 19.000 -0.895 0.000 0.814 461 A HN 1.249 nan 8.150 nan 0.000 0.446 462 A N -1.180 121.559 122.820 -0.134 0.000 2.015 462 A HA -0.043 4.276 4.320 -0.003 0.000 0.219 462 A C 1.604 178.996 177.584 -0.319 0.000 1.163 462 A CA 1.614 53.508 52.037 -0.237 0.000 0.646 462 A CB -0.583 18.214 19.000 -0.338 0.000 0.806 462 A HN 0.683 nan 8.150 nan 0.000 0.448 463 H N -0.980 118.074 119.070 -0.026 0.000 2.594 463 H HA 0.581 5.135 4.556 -0.002 0.000 0.279 463 H C 0.734 176.072 175.328 0.016 0.000 1.042 463 H CA -0.245 55.804 56.048 0.002 0.000 1.177 463 H CB -0.131 29.634 29.762 0.005 0.000 1.524 463 H HN 0.450 nan 8.280 nan 0.000 0.537 464 A N 1.302 124.201 122.820 0.130 0.000 2.462 464 A HA 0.305 4.624 4.320 -0.003 0.000 0.243 464 A C -0.173 177.511 177.584 0.167 0.000 1.076 464 A CA -0.330 51.795 52.037 0.147 0.000 0.773 464 A CB -0.010 19.077 19.000 0.144 0.000 1.010 464 A HN 0.329 nan 8.150 nan 0.000 0.493 465 L N 4.560 125.868 121.223 0.141 0.000 2.265 465 L HA 0.541 4.880 4.340 -0.003 0.000 0.289 465 L C -2.513 174.424 176.870 0.112 0.000 1.033 465 L CA -2.142 52.761 54.840 0.104 0.000 0.814 465 L CB 1.205 43.285 42.059 0.036 0.000 1.203 465 L HN 0.307 nan 8.230 nan 0.000 0.423 466 P HA 0.167 nan 4.420 nan 0.000 0.266 466 P C -1.178 176.057 177.300 -0.109 0.000 1.215 466 P CA 0.135 63.193 63.100 -0.070 0.000 0.763 466 P CB 0.857 32.555 31.700 -0.004 0.000 0.806 467 V N 3.368 123.146 119.914 -0.227 0.000 2.735 467 V HA 0.327 4.446 4.120 -0.003 0.000 0.310 467 V C 0.059 176.089 176.094 -0.107 0.000 1.061 467 V CA -0.740 61.508 62.300 -0.087 0.000 0.913 467 V CB 2.201 33.968 31.823 -0.094 0.000 1.005 467 V HN 0.436 nan 8.190 nan 0.000 0.428 468 E N 3.834 124.047 120.200 0.023 0.000 2.146 468 E HA 0.558 4.906 4.350 -0.003 0.000 0.282 468 E C -1.307 175.352 176.600 0.098 0.000 0.989 468 E CA -0.438 55.965 56.400 0.005 0.000 0.799 468 E CB 1.109 30.817 29.700 0.012 0.000 1.088 468 E HN 0.607 nan 8.360 nan 0.000 0.397 469 I N 5.018 125.616 120.570 0.047 0.000 2.378 469 I HA 0.342 4.510 4.170 -0.003 0.000 0.291 469 I C -0.010 176.146 176.117 0.066 0.000 0.992 469 I CA -0.811 60.569 61.300 0.134 0.000 1.154 469 I CB 1.514 39.577 38.000 0.105 0.000 1.315 469 I HN 0.414 nan 8.210 nan 0.000 0.448 470 R N 7.272 127.813 120.500 0.068 0.000 2.239 470 R HA 0.492 4.830 4.340 -0.003 0.000 0.332 470 R C -1.105 174.994 176.300 -0.334 0.000 0.988 470 R CA -0.704 55.278 56.100 -0.196 0.000 0.859 470 R CB 0.929 31.076 30.300 -0.255 0.000 1.148 470 R HN 0.512 nan 8.270 nan 0.000 0.482 471 L N 4.368 125.422 121.223 -0.281 0.000 2.281 471 L HA 0.343 4.682 4.340 -0.003 0.000 0.285 471 L C -0.421 176.242 176.870 -0.346 0.000 1.074 471 L CA -0.500 54.219 54.840 -0.201 0.000 0.817 471 L CB 0.029 42.050 42.059 -0.064 0.000 1.168 471 L HN 0.382 nan 8.230 nan 0.000 0.434 472 Y N 1.475 121.759 120.300 -0.026 0.000 2.488 472 Y HA 0.564 5.112 4.550 -0.003 0.000 0.325 472 Y C 0.160 176.039 175.900 -0.035 0.000 1.204 472 Y CA -0.511 57.573 58.100 -0.027 0.000 1.229 472 Y CB 1.629 40.075 38.460 -0.023 0.000 1.274 472 Y HN 0.521 nan 8.280 nan 0.000 0.493 473 D N -0.923 119.562 120.400 0.142 0.000 2.677 473 D HA 0.257 4.896 4.640 -0.003 0.000 0.298 473 D C -1.339 174.977 176.300 0.027 0.000 1.250 473 D CA -0.978 53.049 54.000 0.045 0.000 0.888 473 D CB 1.130 41.929 40.800 -0.003 0.000 1.397 473 D HN 0.531 nan 8.370 nan 0.000 0.461 474 R N 1.123 121.606 120.500 -0.029 0.000 2.537 474 R HA 0.081 4.419 4.340 -0.003 0.000 0.281 474 R C 1.111 177.408 176.300 -0.004 0.000 0.988 474 R CA -0.190 55.902 56.100 -0.014 0.000 1.077 474 R CB 0.242 30.460 30.300 -0.136 0.000 0.932 474 R HN 0.501 nan 8.270 nan 0.000 0.409 475 L N 1.806 123.030 121.223 0.001 0.000 2.042 475 L HA -0.051 4.288 4.340 -0.003 0.000 0.210 475 L C 0.208 176.830 176.870 -0.412 0.000 1.076 475 L CA 1.449 56.162 54.840 -0.213 0.000 0.749 475 L CB 0.071 41.971 42.059 -0.266 0.000 0.893 475 L HN 0.562 nan 8.230 nan 0.000 0.432 476 F N -2.098 117.925 119.950 0.121 0.000 2.507 476 F HA 0.161 4.686 4.527 -0.003 0.000 0.327 476 F C 1.336 177.256 175.800 0.199 0.000 1.068 476 F CA -0.544 57.539 58.000 0.139 0.000 0.965 476 F CB 1.573 40.668 39.000 0.157 0.000 1.192 476 F HN -0.209 nan 8.300 nan 0.000 0.476 477 S N -0.506 115.399 115.700 0.342 0.000 2.593 477 S HA 0.230 4.698 4.470 -0.003 0.000 0.217 477 S C 0.035 174.859 174.600 0.374 0.000 0.966 477 S CA 0.079 58.438 58.200 0.265 0.000 0.914 477 S CB -0.816 62.471 63.200 0.145 0.000 0.776 477 S HN 0.441 nan 8.310 nan 0.000 0.523 478 V N -3.146 116.997 119.914 0.382 0.000 2.823 478 V HA 0.594 4.712 4.120 -0.003 0.000 0.312 478 V C -2.522 173.462 176.094 -0.183 0.000 1.072 478 V CA -2.469 59.936 62.300 0.175 0.000 0.937 478 V CB 1.579 33.441 31.823 0.065 0.000 1.013 478 V HN -0.166 nan 8.190 nan 0.000 0.430 479 P HA -0.083 nan 4.420 nan 0.000 0.216 479 P C 0.356 177.376 177.300 -0.467 0.000 1.150 479 P CA 1.681 64.245 63.100 -0.893 0.000 0.837 479 P CB 0.092 31.500 31.700 -0.487 0.000 0.786 480 N N -1.604 116.930 118.700 -0.276 0.000 2.791 480 N HA 0.129 4.867 4.740 -0.003 0.000 0.265 480 N C -1.843 173.547 175.510 -0.200 0.000 1.580 480 N CA -2.253 50.670 53.050 -0.212 0.000 0.809 480 N CB 0.225 38.617 38.487 -0.160 0.000 1.178 480 N HN -0.074 nan 8.380 nan 0.000 0.499 481 P HA -0.028 nan 4.420 nan 0.000 0.218 481 P C 1.312 178.431 177.300 -0.302 0.000 1.149 481 P CA 0.801 63.697 63.100 -0.341 0.000 0.817 481 P CB 0.117 31.298 31.700 -0.865 0.000 0.785 482 G N 0.340 108.937 108.800 -0.339 0.000 2.535 482 G HA2 -0.075 3.883 3.960 -0.003 0.000 0.218 482 G HA3 -0.075 3.883 3.960 -0.003 0.000 0.218 482 G C 1.300 176.076 174.900 -0.206 0.000 1.122 482 G CA 0.633 45.543 45.100 -0.317 0.000 0.769 482 G HN 0.457 nan 8.290 nan 0.000 0.549 483 A N -0.442 122.286 122.820 -0.153 0.000 2.630 483 A HA 0.811 5.129 4.320 -0.003 0.000 0.290 483 A C 0.840 178.386 177.584 -0.064 0.000 1.267 483 A CA 0.474 52.450 52.037 -0.102 0.000 0.950 483 A CB -0.023 18.920 19.000 -0.095 0.000 1.144 483 A HN 0.576 nan 8.150 nan 0.000 0.527 484 A N -0.665 122.128 122.820 -0.044 0.000 2.294 484 A HA 0.555 4.873 4.320 -0.003 0.000 0.330 484 A C 0.544 178.142 177.584 0.025 0.000 1.133 484 A CA -0.378 51.658 52.037 -0.001 0.000 0.836 484 A CB 0.613 19.627 19.000 0.023 0.000 1.190 484 A HN 0.249 nan 8.150 nan 0.000 0.492 485 D N -0.028 120.387 120.400 0.025 0.000 2.097 485 D HA -0.103 4.536 4.640 -0.003 0.000 0.195 485 D C -0.281 176.057 176.300 0.065 0.000 0.989 485 D CA 1.650 55.669 54.000 0.031 0.000 0.827 485 D CB 0.266 41.078 40.800 0.020 0.000 0.966 485 D HN 0.568 nan 8.370 nan 0.000 0.456 486 D N -0.394 120.048 120.400 0.070 0.000 2.408 486 D HA 0.024 4.663 4.640 -0.003 0.000 0.261 486 D C 0.870 177.224 176.300 0.090 0.000 1.190 486 D CA -0.650 53.400 54.000 0.083 0.000 0.910 486 D CB 0.307 41.116 40.800 0.016 0.000 1.097 486 D HN -0.103 nan 8.370 nan 0.000 0.522 487 F N 2.797 122.731 119.950 -0.026 0.000 2.202 487 F HA -0.072 4.454 4.527 -0.003 0.000 0.301 487 F C 1.308 177.181 175.800 0.122 0.000 1.082 487 F CA 0.716 58.694 58.000 -0.037 0.000 1.313 487 F CB -0.692 38.210 39.000 -0.164 0.000 1.024 487 F HN 0.270 nan 8.300 nan 0.000 0.495 488 L N 0.914 121.668 121.223 -0.783 0.000 2.141 488 L HA -0.157 4.181 4.340 -0.003 0.000 0.209 488 L C 2.680 179.370 176.870 -0.300 0.000 1.094 488 L CA 1.425 55.864 54.840 -0.668 0.000 0.763 488 L CB -0.920 40.720 42.059 -0.698 0.000 0.908 488 L HN 0.471 nan 8.230 nan 0.000 0.437 489 S N -1.714 113.883 115.700 -0.171 0.000 2.603 489 S HA -0.043 4.426 4.470 -0.003 0.000 0.229 489 S C 1.259 175.846 174.600 -0.021 0.000 0.972 489 S CA 0.236 58.382 58.200 -0.091 0.000 0.935 489 S CB 0.205 63.374 63.200 -0.051 0.000 0.769 489 S HN 0.200 nan 8.310 nan 0.000 0.536 490 V N 1.139 121.083 119.914 0.050 0.000 3.176 490 V HA 0.444 4.563 4.120 -0.003 0.000 0.332 490 V C 0.158 176.395 176.094 0.238 0.000 1.414 490 V CA -0.594 61.796 62.300 0.149 0.000 1.133 490 V CB -0.212 31.717 31.823 0.177 0.000 1.088 490 V HN 0.490 nan 8.190 nan 0.000 0.473 491 I N 1.878 122.480 120.570 0.054 0.000 2.813 491 I HA 0.029 4.198 4.170 -0.003 0.000 0.287 491 I C 0.667 176.711 176.117 -0.122 0.000 1.196 491 I CA 0.336 61.512 61.300 -0.206 0.000 1.421 491 I CB 0.392 38.187 38.000 -0.342 0.000 1.365 491 I HN 0.268 nan 8.210 nan 0.000 0.591 492 N N 8.521 127.124 118.700 -0.162 0.000 2.406 492 N HA 0.158 4.897 4.740 -0.003 0.000 0.251 492 N C -1.579 173.880 175.510 -0.084 0.000 1.069 492 N CA -2.154 50.852 53.050 -0.074 0.000 0.947 492 N CB 0.956 39.412 38.487 -0.052 0.000 1.111 492 N HN 0.261 nan 8.380 nan 0.000 0.497 493 P HA -0.117 nan 4.420 nan 0.000 0.223 493 P C -0.300 176.975 177.300 -0.042 0.000 1.144 493 P CA 1.260 64.330 63.100 -0.050 0.000 0.783 493 P CB 0.395 32.073 31.700 -0.035 0.000 0.771 494 E N -0.462 119.714 120.200 -0.039 0.000 2.585 494 E HA 0.077 4.426 4.350 -0.003 0.000 0.206 494 E C 1.464 178.045 176.600 -0.032 0.000 1.007 494 E CA -0.061 56.317 56.400 -0.036 0.000 1.028 494 E CB 0.173 29.855 29.700 -0.030 0.000 1.087 494 E HN 0.276 nan 8.360 nan 0.000 0.455 495 S N 0.384 116.065 115.700 -0.032 0.000 2.419 495 S HA -0.116 4.353 4.470 -0.003 0.000 0.233 495 S C 0.725 175.360 174.600 0.058 0.000 1.016 495 S CA 0.415 58.616 58.200 0.002 0.000 0.974 495 S CB -0.018 63.163 63.200 -0.032 0.000 0.786 495 S HN 0.224 nan 8.310 nan 0.000 0.492 496 L N 0.705 121.927 121.223 -0.001 0.000 2.438 496 L HA 0.786 5.124 4.340 -0.003 0.000 0.270 496 L C -1.219 175.578 176.870 -0.121 0.000 0.972 496 L CA -0.895 53.890 54.840 -0.091 0.000 0.831 496 L CB 2.301 44.348 42.059 -0.020 0.000 1.273 496 L HN 0.009 nan 8.230 nan 0.000 0.405 497 V N 6.838 126.645 119.914 -0.178 0.000 2.482 497 V HA 0.593 4.711 4.120 -0.003 0.000 0.295 497 V C -0.766 175.244 176.094 -0.140 0.000 1.026 497 V CA -0.366 61.861 62.300 -0.120 0.000 0.856 497 V CB 1.678 33.452 31.823 -0.082 0.000 1.001 497 V HN 0.722 nan 8.190 nan 0.000 0.424 498 I N 7.719 128.223 120.570 -0.111 0.000 2.315 498 I HA 0.539 4.707 4.170 -0.003 0.000 0.291 498 I C -0.073 175.996 176.117 -0.080 0.000 1.006 498 I CA -0.562 60.678 61.300 -0.100 0.000 1.265 498 I CB 1.241 39.187 38.000 -0.091 0.000 1.387 498 I HN 0.436 nan 8.210 nan 0.000 0.475 499 K N 5.681 126.037 120.400 -0.073 0.000 2.318 499 K HA 0.445 4.763 4.320 -0.003 0.000 0.249 499 K C -0.775 175.753 176.600 -0.121 0.000 0.942 499 K CA -0.913 55.323 56.287 -0.085 0.000 0.808 499 K CB 2.350 34.810 32.500 -0.066 0.000 1.189 499 K HN 0.386 nan 8.250 nan 0.000 0.428 500 Q N 1.159 120.853 119.800 -0.177 0.000 2.347 500 Q HA 0.489 4.828 4.340 -0.003 0.000 0.262 500 Q C 0.150 175.891 176.000 -0.432 0.000 0.980 500 Q CA -0.373 55.267 55.803 -0.272 0.000 0.867 500 Q CB 1.784 30.363 28.738 -0.264 0.000 1.242 500 Q HN 0.885 nan 8.270 nan 0.000 0.453 501 G N 0.953 109.445 108.800 -0.514 0.000 3.251 501 G HA2 0.774 4.733 3.960 -0.003 0.000 0.248 501 G HA3 0.774 4.733 3.960 -0.003 0.000 0.248 501 G C -1.382 172.903 174.900 -1.024 0.000 1.320 501 G CA -0.427 44.273 45.100 -0.666 0.000 0.982 501 G HN 0.325 nan 8.290 nan 0.000 0.575 502 F N 0.024 119.741 119.950 -0.389 0.000 2.547 502 F HA 0.726 5.251 4.527 -0.003 0.000 0.316 502 F C 0.457 176.045 175.800 -0.352 0.000 1.121 502 F CA -0.774 57.006 58.000 -0.367 0.000 0.911 502 F CB 2.398 41.099 39.000 -0.498 0.000 1.179 502 F HN 0.629 nan 8.300 nan 0.000 0.443 503 A N 2.056 124.778 122.820 -0.163 0.000 2.356 503 A HA 0.663 4.981 4.320 -0.003 0.000 0.323 503 A C -0.533 176.915 177.584 -0.227 0.000 1.119 503 A CA -0.818 51.006 52.037 -0.355 0.000 0.790 503 A CB 0.813 19.510 19.000 -0.504 0.000 1.273 503 A HN 0.800 nan 8.150 nan 0.000 0.452 504 E N 2.529 122.538 120.200 -0.318 0.000 2.413 504 E HA 0.112 4.461 4.350 -0.003 0.000 0.263 504 E C -1.711 174.801 176.600 -0.147 0.000 1.015 504 E CA -1.086 55.176 56.400 -0.230 0.000 0.916 504 E CB 0.489 30.005 29.700 -0.306 0.000 0.947 504 E HN 0.371 nan 8.360 nan 0.000 0.440 505 P HA -0.322 nan 4.420 nan 0.000 0.218 505 P C 1.500 178.785 177.300 -0.025 0.000 1.146 505 P CA 1.661 64.757 63.100 -0.008 0.000 0.820 505 P CB 0.087 31.814 31.700 0.046 0.000 0.778 506 S N -0.229 115.436 115.700 -0.059 0.000 2.380 506 S HA -0.153 4.316 4.470 -0.003 0.000 0.229 506 S C 1.835 176.404 174.600 -0.051 0.000 1.043 506 S CA 1.071 59.243 58.200 -0.047 0.000 1.038 506 S CB -0.854 62.302 63.200 -0.073 0.000 0.872 506 S HN -0.049 nan 8.310 nan 0.000 0.456 507 L N 1.377 122.525 121.223 -0.125 0.000 2.633 507 L HA 0.114 4.452 4.340 -0.003 0.000 0.235 507 L C 2.201 179.104 176.870 0.054 0.000 1.163 507 L CA 1.203 55.978 54.840 -0.107 0.000 0.859 507 L CB -1.485 40.458 42.059 -0.193 0.000 0.973 507 L HN 0.355 nan 8.230 nan 0.000 0.451 508 K N 0.685 121.111 120.400 0.042 0.000 2.211 508 K HA -0.157 4.162 4.320 -0.003 0.000 0.204 508 K C 1.052 177.702 176.600 0.084 0.000 1.047 508 K CA 1.234 57.562 56.287 0.069 0.000 0.935 508 K CB 0.023 32.555 32.500 0.052 0.000 0.728 508 K HN 0.254 nan 8.250 nan 0.000 0.452 509 D N 0.091 120.547 120.400 0.093 0.000 2.388 509 D HA 0.124 4.762 4.640 -0.003 0.000 0.221 509 D C -0.447 175.955 176.300 0.170 0.000 1.133 509 D CA 0.112 54.179 54.000 0.113 0.000 0.831 509 D CB 0.192 41.055 40.800 0.105 0.000 0.962 509 D HN 0.221 nan 8.370 nan 0.000 0.502 510 A N 1.103 124.044 122.820 0.202 0.000 2.540 510 A HA 0.247 4.565 4.320 -0.003 0.000 0.239 510 A C 0.644 178.368 177.584 0.232 0.000 1.061 510 A CA -0.162 52.077 52.037 0.337 0.000 0.758 510 A CB 0.268 19.481 19.000 0.356 0.000 0.991 510 A HN 0.105 nan 8.150 nan 0.000 0.502 511 V N 0.951 121.019 119.914 0.257 0.000 2.398 511 V HA 0.736 4.855 4.120 -0.003 0.000 0.286 511 V C 0.629 176.780 176.094 0.096 0.000 1.026 511 V CA -0.651 61.727 62.300 0.130 0.000 0.868 511 V CB 0.383 32.266 31.823 0.100 0.000 0.982 511 V HN 1.617 nan 8.190 nan 0.000 0.443 512 A N 3.925 126.768 122.820 0.039 0.000 2.587 512 A HA 0.499 4.817 4.320 -0.003 0.000 0.233 512 A C 1.637 179.237 177.584 0.027 0.000 1.049 512 A CA 0.985 53.027 52.037 0.008 0.000 0.754 512 A CB -0.650 18.341 19.000 -0.014 0.000 0.977 512 A HN 2.768 nan 8.150 nan 0.000 0.509 513 G N 1.304 110.118 108.800 0.025 0.000 3.079 513 G HA2 -0.287 3.671 3.960 -0.003 0.000 0.214 513 G HA3 -0.287 3.671 3.960 -0.003 0.000 0.214 513 G C 0.627 175.552 174.900 0.041 0.000 1.335 513 G CA 0.602 45.725 45.100 0.039 0.000 0.822 513 G HN 1.205 nan 8.290 nan 0.000 0.545 514 K N 2.146 122.557 120.400 0.019 0.000 2.484 514 K HA 0.506 4.824 4.320 -0.003 0.000 0.280 514 K C 0.568 177.113 176.600 -0.092 0.000 1.013 514 K CA 0.423 56.669 56.287 -0.069 0.000 1.029 514 K CB 0.310 32.729 32.500 -0.135 0.000 0.902 514 K HN 0.872 nan 8.250 nan 0.000 0.481 515 A N 4.233 126.966 122.820 -0.145 0.000 2.279 515 A HA 0.674 4.993 4.320 -0.003 0.000 0.303 515 A C -1.090 176.362 177.584 -0.220 0.000 1.108 515 A CA -0.625 51.379 52.037 -0.054 0.000 0.830 515 A CB 0.347 19.330 19.000 -0.028 0.000 1.106 515 A HN 0.648 nan 8.150 nan 0.000 0.493 516 F N -0.819 119.218 119.950 0.145 0.000 2.613 516 F HA 0.461 4.986 4.527 -0.003 0.000 0.314 516 F C 0.237 176.145 175.800 0.181 0.000 1.075 516 F CA -0.395 57.706 58.000 0.169 0.000 0.945 516 F CB 2.293 41.434 39.000 0.235 0.000 1.310 516 F HN 0.591 nan 8.300 nan 0.000 0.467 517 Q N 2.172 122.209 119.800 0.394 0.000 2.372 517 Q HA 0.349 4.687 4.340 -0.003 0.000 0.259 517 Q C -1.598 174.539 176.000 0.228 0.000 0.993 517 Q CA -0.616 55.288 55.803 0.168 0.000 0.854 517 Q CB 0.639 29.398 28.738 0.035 0.000 1.231 517 Q HN 0.444 nan 8.270 nan 0.000 0.462 518 F N 3.186 123.095 119.950 -0.069 0.000 2.439 518 F HA 0.177 4.702 4.527 -0.003 0.000 0.356 518 F C 0.788 176.412 175.800 -0.294 0.000 1.161 518 F CA -0.697 57.136 58.000 -0.279 0.000 1.151 518 F CB 0.085 38.737 39.000 -0.579 0.000 1.222 518 F HN 0.560 nan 8.300 nan 0.000 0.558 519 E N 3.825 123.963 120.200 -0.105 0.000 2.708 519 E HA -0.131 4.217 4.350 -0.003 0.000 0.260 519 E C 0.687 177.145 176.600 -0.236 0.000 0.937 519 E CA 0.663 56.975 56.400 -0.147 0.000 0.953 519 E CB 0.299 29.935 29.700 -0.107 0.000 0.915 519 E HN 0.519 nan 8.360 nan 0.000 0.487 520 R N 1.654 122.073 120.500 -0.134 0.000 3.977 520 R HA -0.236 4.103 4.340 -0.003 0.000 0.428 520 R C 0.345 176.588 176.300 -0.096 0.000 1.079 520 R CA 1.295 57.344 56.100 -0.085 0.000 1.269 520 R CB -1.032 29.280 30.300 0.019 0.000 1.856 520 R HN 0.567 nan 8.270 nan 0.000 0.551 521 E N -0.540 119.593 120.200 -0.111 0.000 2.756 521 E HA 0.328 4.676 4.350 -0.003 0.000 0.192 521 E C 1.087 177.740 176.600 0.087 0.000 1.022 521 E CA 1.348 57.761 56.400 0.023 0.000 1.224 521 E CB 0.710 30.436 29.700 0.043 0.000 1.252 521 E HN 0.400 nan 8.360 nan 0.000 0.494 522 G N -0.289 108.570 108.800 0.098 0.000 2.344 522 G HA2 0.232 4.190 3.960 -0.003 0.000 0.282 522 G HA3 0.232 4.190 3.960 -0.003 0.000 0.282 522 G C -1.878 172.867 174.900 -0.258 0.000 1.281 522 G CA -0.915 44.080 45.100 -0.174 0.000 0.877 522 G HN 0.009 nan 8.290 nan 0.000 0.494 523 Y N -0.192 120.045 120.300 -0.104 0.000 2.330 523 Y HA 0.783 5.331 4.550 -0.003 0.000 0.336 523 Y C -0.143 175.539 175.900 -0.363 0.000 1.036 523 Y CA -0.456 57.585 58.100 -0.099 0.000 1.125 523 Y CB 1.489 39.869 38.460 -0.134 0.000 1.194 523 Y HN 0.402 nan 8.280 nan 0.000 0.469 524 F N 1.356 121.168 119.950 -0.229 0.000 2.640 524 F HA 0.762 5.288 4.527 -0.003 0.000 0.324 524 F C -0.213 175.628 175.800 0.068 0.000 1.077 524 F CA -1.527 56.336 58.000 -0.228 0.000 0.965 524 F CB 1.670 40.181 39.000 -0.815 0.000 1.351 524 F HN 0.633 nan 8.300 nan 0.000 0.487 525 C N 0.487 120.017 119.300 0.383 0.000 3.239 525 C HA 0.767 5.225 4.460 -0.003 0.000 0.317 525 C C -0.239 174.839 174.990 0.148 0.000 1.310 525 C CA -0.851 58.365 59.018 0.330 0.000 1.371 525 C CB 0.543 28.375 27.740 0.153 0.000 1.714 525 C HN 0.942 nan 8.230 nan 0.000 0.473 526 L N 1.802 122.982 121.223 -0.071 0.000 2.584 526 L HA 0.327 4.666 4.340 -0.003 0.000 0.153 526 L C 1.809 178.569 176.870 -0.183 0.000 1.336 526 L CA 2.411 57.015 54.840 -0.393 0.000 2.295 526 L CB -0.466 41.399 42.059 -0.323 0.000 2.581 526 L HN 1.204 nan 8.230 nan 0.000 0.640 527 D N -1.248 119.059 120.400 -0.156 0.000 4.581 527 D HA -0.402 4.236 4.640 -0.003 0.000 0.261 527 D C 0.893 177.145 176.300 -0.080 0.000 0.490 527 D CA 2.895 56.838 54.000 -0.094 0.000 1.265 527 D CB -1.291 39.468 40.800 -0.069 0.000 0.776 527 D HN 0.750 nan 8.370 nan 0.000 0.351 528 S N -1.565 114.098 115.700 -0.062 0.000 3.358 528 S HA -0.391 4.078 4.470 -0.003 0.000 0.309 528 S C 1.042 175.510 174.600 -0.220 0.000 1.247 528 S CA 2.301 60.477 58.200 -0.040 0.000 0.961 528 S CB -1.410 61.842 63.200 0.086 0.000 1.074 528 S HN 0.866 nan 8.310 nan 0.000 0.625 529 R N -0.386 119.983 120.500 -0.218 0.000 3.961 529 R HA -0.264 4.074 4.340 -0.003 0.000 0.457 529 R C 0.685 176.803 176.300 -0.303 0.000 0.854 529 R CA 2.561 58.480 56.100 -0.302 0.000 1.601 529 R CB -1.956 28.087 30.300 -0.428 0.000 2.259 529 R HN 0.776 nan 8.270 nan 0.000 0.486 530 H N -1.280 117.790 119.070 0.000 0.000 2.557 530 H HA 0.302 4.857 4.556 -0.003 0.000 0.281 530 H C 0.319 175.639 175.328 -0.012 0.000 0.990 530 H CA 0.647 56.695 56.048 -0.001 0.000 1.278 530 H CB 0.025 29.793 29.762 0.010 0.000 1.451 530 H HN 0.170 nan 8.280 nan 0.000 0.516 531 S N 2.325 118.067 115.700 0.069 0.000 2.629 531 S HA 0.045 4.513 4.470 -0.003 0.000 0.302 531 S C 0.869 175.470 174.600 0.002 0.000 1.244 531 S CA 0.221 58.424 58.200 0.004 0.000 1.098 531 S CB -0.004 63.137 63.200 -0.099 0.000 0.858 531 S HN 0.610 nan 8.310 nan 0.000 0.502 532 T N 2.266 116.830 114.554 0.016 0.000 2.797 532 T HA 0.764 5.112 4.350 -0.003 0.000 0.267 532 T C 1.378 176.088 174.700 0.016 0.000 0.986 532 T CA -0.204 61.906 62.100 0.017 0.000 0.999 532 T CB 0.617 69.500 68.868 0.025 0.000 1.508 532 T HN 0.553 nan 8.240 nan 0.000 0.595 533 A N 0.383 123.216 122.820 0.021 0.000 1.855 533 A HA 0.123 4.441 4.320 -0.003 0.000 0.213 533 A C 2.127 179.729 177.584 0.030 0.000 1.195 533 A CA 1.367 53.419 52.037 0.026 0.000 0.610 533 A CB -1.163 17.852 19.000 0.024 0.000 0.837 533 A HN 0.861 nan 8.150 nan 0.000 0.444 534 E N -0.016 120.200 120.200 0.027 0.000 2.015 534 E HA -0.056 4.292 4.350 -0.003 0.000 0.191 534 E C 0.951 177.569 176.600 0.029 0.000 0.991 534 E CA 1.456 57.872 56.400 0.027 0.000 0.802 534 E CB -0.073 29.639 29.700 0.021 0.000 0.759 534 E HN 0.374 nan 8.360 nan 0.000 0.447 535 K N 1.139 121.554 120.400 0.025 0.000 2.478 535 K HA 0.279 4.597 4.320 -0.003 0.000 0.236 535 K C -2.814 173.808 176.600 0.038 0.000 1.021 535 K CA -2.808 53.494 56.287 0.025 0.000 1.010 535 K CB 1.094 33.599 32.500 0.009 0.000 1.331 535 K HN -0.150 nan 8.250 nan 0.000 0.470 536 P HA 0.046 nan 4.420 nan 0.000 0.271 536 P C -1.044 176.314 177.300 0.097 0.000 1.216 536 P CA -0.436 62.700 63.100 0.061 0.000 0.776 536 P CB 0.978 32.775 31.700 0.162 0.000 0.881 537 V N 4.276 124.192 119.914 0.003 0.000 2.540 537 V HA 0.455 4.573 4.120 -0.003 0.000 0.302 537 V C -0.503 175.584 176.094 -0.012 0.000 1.035 537 V CA -0.313 62.040 62.300 0.088 0.000 0.873 537 V CB 1.047 32.934 31.823 0.107 0.000 0.992 537 V HN 0.357 nan 8.190 nan 0.000 0.428 538 F N 2.684 122.723 119.950 0.148 0.000 2.495 538 F HA 0.557 5.082 4.527 -0.003 0.000 0.327 538 F C 0.428 176.374 175.800 0.243 0.000 1.103 538 F CA -0.720 57.405 58.000 0.207 0.000 0.949 538 F CB 1.887 41.044 39.000 0.262 0.000 1.142 538 F HN 0.365 nan 8.300 nan 0.000 0.457 539 N N 1.946 120.879 118.700 0.388 0.000 2.421 539 N HA 0.251 4.990 4.740 -0.003 0.000 0.285 539 N C -0.606 174.989 175.510 0.140 0.000 1.027 539 N CA -0.646 52.613 53.050 0.348 0.000 0.918 539 N CB 1.879 40.555 38.487 0.315 0.000 1.152 539 N HN 0.556 nan 8.380 nan 0.000 0.485 540 R N 1.570 122.043 120.500 -0.046 0.000 2.248 540 R HA 0.129 4.467 4.340 -0.003 0.000 0.337 540 R C 0.510 176.635 176.300 -0.293 0.000 1.085 540 R CA -0.021 55.642 56.100 -0.727 0.000 0.934 540 R CB 0.196 30.068 30.300 -0.713 0.000 1.034 540 R HN 0.504 nan 8.270 nan 0.000 0.465 541 T N 2.121 116.486 114.554 -0.314 0.000 2.674 541 T HA -0.089 4.259 4.350 -0.003 0.000 0.265 541 T C 0.477 175.094 174.700 -0.139 0.000 1.039 541 T CA 1.315 63.320 62.100 -0.159 0.000 1.150 541 T CB 0.025 68.783 68.868 -0.183 0.000 0.864 541 T HN 0.418 nan 8.240 nan 0.000 0.427 542 V N -0.476 119.340 119.914 -0.163 0.000 3.108 542 V HA 0.637 4.755 4.120 -0.003 0.000 0.287 542 V C -0.593 175.462 176.094 -0.065 0.000 1.436 542 V CA -0.630 61.626 62.300 -0.074 0.000 1.001 542 V CB 1.651 33.445 31.823 -0.048 0.000 1.141 542 V HN 0.433 nan 8.190 nan 0.000 0.443 543 G N 3.709 112.482 108.800 -0.046 0.000 2.572 543 G HA2 0.542 4.501 3.960 -0.003 0.000 0.261 543 G HA3 0.542 4.501 3.960 -0.003 0.000 0.261 543 G C -0.697 174.201 174.900 -0.003 0.000 1.197 543 G CA -0.537 44.539 45.100 -0.039 0.000 0.870 543 G HN 0.726 nan 8.290 nan 0.000 0.548 544 L N -0.178 121.024 121.223 -0.035 0.000 2.453 544 L HA 0.307 4.646 4.340 -0.003 0.000 0.261 544 L C 1.369 178.253 176.870 0.022 0.000 1.179 544 L CA -0.347 54.483 54.840 -0.017 0.000 0.813 544 L CB 0.935 42.954 42.059 -0.067 0.000 1.110 544 L HN 0.595 nan 8.230 nan 0.000 0.466 545 R N 1.681 122.207 120.500 0.042 0.000 2.402 545 R HA 0.023 4.361 4.340 -0.003 0.000 0.331 545 R C -0.918 175.401 176.300 0.032 0.000 1.040 545 R CA -0.014 56.111 56.100 0.042 0.000 0.980 545 R CB -0.315 30.016 30.300 0.051 0.000 0.967 545 R HN 0.551 nan 8.270 nan 0.000 0.440 546 D N 3.773 124.190 120.400 0.029 0.000 2.473 546 D HA 0.115 4.753 4.640 -0.003 0.000 0.226 546 D C -0.299 176.019 176.300 0.029 0.000 1.089 546 D CA -0.340 53.676 54.000 0.027 0.000 0.883 546 D CB 0.886 41.702 40.800 0.027 0.000 1.029 546 D HN 0.556 nan 8.370 nan 0.000 0.517 547 T N 0.000 114.571 114.554 0.029 0.000 3.816 547 T HA 0.000 4.348 4.350 -0.003 0.000 0.228 547 T CA 0.000 62.118 62.100 0.029 0.000 1.349 547 T CB 0.000 68.886 68.868 0.030 0.000 0.612 547 T HN 0.000 nan 8.240 nan 0.000 0.658