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 1euy_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 0.000 174.691 174.700 -0.015 0.000 1.109 8 T CA 0.000 62.088 62.100 -0.020 0.000 1.349 8 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 9 N N 0.810 119.494 118.700 -0.027 0.000 2.825 9 N HA 0.430 5.170 4.740 -0.001 0.000 0.253 9 N C 0.646 176.151 175.510 -0.008 0.000 1.426 9 N CA -0.782 52.273 53.050 0.008 0.000 0.851 9 N CB -0.030 38.433 38.487 -0.040 0.000 1.470 9 N HN 0.540 nan 8.380 nan 0.000 0.517 10 F N -0.318 119.606 119.950 -0.044 0.000 2.184 10 F HA 0.029 4.556 4.527 -0.001 0.000 0.301 10 F C 1.168 176.906 175.800 -0.105 0.000 1.076 10 F CA 0.978 58.948 58.000 -0.050 0.000 1.295 10 F CB -0.619 38.371 39.000 -0.017 0.000 1.026 10 F HN 0.427 nan 8.300 nan 0.000 0.494 11 I N 0.378 120.361 120.570 -0.979 0.000 2.353 11 I HA -0.137 4.033 4.170 -0.001 0.000 0.248 11 I C 2.584 178.388 176.117 -0.520 0.000 1.119 11 I CA 1.039 61.826 61.300 -0.854 0.000 1.417 11 I CB -0.525 36.961 38.000 -0.856 0.000 1.078 11 I HN 0.089 nan 8.210 nan 0.000 0.421 12 R N 0.516 120.811 120.500 -0.340 0.000 2.148 12 R HA -0.117 4.223 4.340 -0.001 0.000 0.223 12 R C 2.194 178.424 176.300 -0.117 0.000 1.088 12 R CA 0.929 56.920 56.100 -0.182 0.000 0.985 12 R CB -0.127 30.160 30.300 -0.021 0.000 0.880 12 R HN 0.486 nan 8.270 nan 0.000 0.451 13 Q N 0.143 119.873 119.800 -0.117 0.000 2.187 13 Q HA -0.021 4.319 4.340 -0.001 0.000 0.199 13 Q C 1.987 177.932 176.000 -0.091 0.000 0.957 13 Q CA 0.909 56.677 55.803 -0.058 0.000 0.857 13 Q CB 0.165 28.897 28.738 -0.011 0.000 0.929 13 Q HN 0.361 nan 8.270 nan 0.000 0.453 14 I N 0.366 120.823 120.570 -0.187 0.000 2.286 14 I HA -0.250 3.919 4.170 -0.001 0.000 0.245 14 I C 2.069 178.077 176.117 -0.181 0.000 1.104 14 I CA 1.012 62.185 61.300 -0.212 0.000 1.397 14 I CB -0.135 37.584 38.000 -0.469 0.000 1.072 14 I HN 0.218 nan 8.210 nan 0.000 0.417 15 I N 0.644 121.019 120.570 -0.325 0.000 2.226 15 I HA -0.303 3.867 4.170 -0.001 0.000 0.245 15 I C 2.103 178.122 176.117 -0.164 0.000 1.100 15 I CA 1.329 62.401 61.300 -0.379 0.000 1.374 15 I CB -0.540 36.969 38.000 -0.818 0.000 1.057 15 I HN 0.241 nan 8.210 nan 0.000 0.413 16 D N 1.041 121.393 120.400 -0.080 0.000 2.087 16 D HA -0.201 4.438 4.640 -0.001 0.000 0.192 16 D C 2.066 178.383 176.300 0.027 0.000 0.993 16 D CA 1.425 55.448 54.000 0.038 0.000 0.828 16 D CB -0.365 40.468 40.800 0.055 0.000 0.968 16 D HN 0.381 nan 8.370 nan 0.000 0.448 17 E N 0.416 120.621 120.200 0.009 0.000 2.070 17 E HA -0.200 4.150 4.350 -0.001 0.000 0.197 17 E C 1.715 178.336 176.600 0.034 0.000 1.004 17 E CA 1.369 57.781 56.400 0.020 0.000 0.805 17 E CB -0.048 29.660 29.700 0.013 0.000 0.744 17 E HN 0.255 nan 8.360 nan 0.000 0.451 18 D N 0.224 120.659 120.400 0.059 0.000 2.104 18 D HA -0.155 4.484 4.640 -0.001 0.000 0.194 18 D C 1.811 178.160 176.300 0.081 0.000 0.994 18 D CA 0.810 54.868 54.000 0.097 0.000 0.830 18 D CB -0.208 40.752 40.800 0.268 0.000 0.959 18 D HN 0.020 nan 8.370 nan 0.000 0.452 19 L N 0.731 122.007 121.223 0.089 0.000 2.017 19 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 19 L C 2.365 179.269 176.870 0.056 0.000 1.073 19 L CA 1.472 56.362 54.840 0.084 0.000 0.745 19 L CB -1.216 40.898 42.059 0.091 0.000 0.894 19 L HN -0.019 nan 8.230 nan 0.000 0.432 20 A N -0.632 122.216 122.820 0.045 0.000 1.858 20 A HA -0.234 4.086 4.320 -0.001 0.000 0.216 20 A C 2.510 180.106 177.584 0.020 0.000 1.190 20 A CA 2.257 54.313 52.037 0.031 0.000 0.617 20 A CB -1.063 17.953 19.000 0.027 0.000 0.827 20 A HN 0.536 nan 8.150 nan 0.000 0.443 21 S N -1.618 114.091 115.700 0.014 0.000 2.419 21 S HA 0.235 4.705 4.470 -0.001 0.000 0.233 21 S C 1.588 176.183 174.600 -0.007 0.000 1.016 21 S CA 1.566 59.767 58.200 0.001 0.000 0.974 21 S CB -0.587 62.609 63.200 -0.006 0.000 0.786 21 S HN 2.102 nan 8.310 nan 0.000 0.492 22 G N 1.182 109.980 108.800 -0.003 0.000 2.159 22 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.227 22 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.227 22 G C 0.609 175.481 174.900 -0.047 0.000 0.986 22 G CA 0.476 45.571 45.100 -0.008 0.000 0.651 22 G HN 0.606 nan 8.290 nan 0.000 0.523 23 K N -0.325 120.018 120.400 -0.094 0.000 2.147 23 K HA -0.058 4.262 4.320 -0.001 0.000 0.205 23 K C 0.575 176.922 176.600 -0.421 0.000 1.049 23 K CA 1.197 57.330 56.287 -0.257 0.000 0.936 23 K CB -0.054 32.264 32.500 -0.304 0.000 0.722 23 K HN 0.549 nan 8.250 nan 0.000 0.446 24 H N -1.869 117.209 119.070 0.014 0.000 2.930 24 H HA 0.104 4.660 4.556 -0.001 0.000 0.371 24 H C 0.166 175.512 175.328 0.029 0.000 1.169 24 H CA -0.058 56.003 56.048 0.021 0.000 1.157 24 H CB 2.213 31.997 29.762 0.037 0.000 1.789 24 H HN 0.088 nan 8.280 nan 0.000 0.547 25 T N -2.006 112.646 114.554 0.163 0.000 2.990 25 T HA 0.124 4.473 4.350 -0.001 0.000 0.249 25 T C 0.729 175.487 174.700 0.097 0.000 1.039 25 T CA 0.369 62.530 62.100 0.103 0.000 1.036 25 T CB 0.271 69.181 68.868 0.070 0.000 0.994 25 T HN 0.624 nan 8.240 nan 0.000 0.489 26 T N 0.289 114.904 114.554 0.101 0.000 2.865 26 T HA 0.735 5.085 4.350 -0.001 0.000 0.294 26 T C -0.741 173.976 174.700 0.028 0.000 1.119 26 T CA -0.545 61.592 62.100 0.061 0.000 1.007 26 T CB 1.908 70.803 68.868 0.046 0.000 1.225 26 T HN 0.575 nan 8.240 nan 0.000 0.515 27 V N -0.611 119.300 119.914 -0.006 0.000 2.628 27 V HA 0.785 4.905 4.120 -0.001 0.000 0.306 27 V C -1.330 174.763 176.094 -0.002 0.000 1.045 27 V CA -0.628 61.651 62.300 -0.036 0.000 0.905 27 V CB 1.634 33.358 31.823 -0.166 0.000 0.997 27 V HN 1.183 nan 8.190 nan 0.000 0.436 28 H N 3.551 122.585 119.070 -0.061 0.000 3.172 28 H HA 0.606 5.162 4.556 -0.000 0.000 0.322 28 H C -0.249 175.042 175.328 -0.063 0.000 1.003 28 H CA 0.407 56.419 56.048 -0.061 0.000 1.466 28 H CB 1.525 31.250 29.762 -0.061 0.000 1.673 28 H HN 1.168 nan 8.280 nan 0.000 0.512 29 T N 1.787 116.428 114.554 0.144 0.000 2.889 29 T HA 0.749 5.098 4.350 -0.001 0.000 0.278 29 T C 0.184 174.890 174.700 0.010 0.000 0.995 29 T CA -1.028 61.095 62.100 0.038 0.000 0.966 29 T CB 2.393 71.219 68.868 -0.069 0.000 1.237 29 T HN 0.621 nan 8.240 nan 0.000 0.591 30 R N -0.139 120.326 120.500 -0.058 0.000 2.664 30 R HA 0.460 4.800 4.340 -0.001 0.000 0.266 30 R C -2.513 173.775 176.300 -0.019 0.000 1.046 30 R CA -0.892 55.150 56.100 -0.097 0.000 0.885 30 R CB 1.055 31.300 30.300 -0.091 0.000 1.254 30 R HN 0.694 nan 8.270 nan 0.000 0.465 31 F N 4.866 124.684 119.950 -0.221 0.000 2.403 31 F HA 0.611 5.138 4.527 0.000 0.000 0.355 31 F C -2.402 173.307 175.800 -0.152 0.000 1.119 31 F CA -2.633 55.299 58.000 -0.114 0.000 1.007 31 F CB 2.295 41.298 39.000 0.005 0.000 1.194 31 F HN 0.347 nan 8.300 nan 0.000 0.443 32 P HA 0.301 nan 4.420 nan 0.000 0.190 32 P C -3.098 173.886 177.300 -0.526 0.000 1.887 32 P CA -1.590 61.228 63.100 -0.471 0.000 1.194 32 P CB 0.911 32.551 31.700 -0.101 0.000 1.732 33 P HA 0.193 nan 4.420 nan 0.000 0.279 33 P C -0.098 177.063 177.300 -0.232 0.000 1.239 33 P CA -0.018 62.751 63.100 -0.552 0.000 0.789 33 P CB 1.583 32.827 31.700 -0.760 0.000 0.933 34 E N 4.130 124.277 120.200 -0.088 0.000 2.338 34 E HA 0.142 4.492 4.350 -0.001 0.000 0.272 34 E C -1.844 174.774 176.600 0.029 0.000 1.029 34 E CA -2.236 54.182 56.400 0.030 0.000 0.872 34 E CB 0.618 30.345 29.700 0.045 0.000 1.015 34 E HN 0.298 nan 8.360 nan 0.000 0.417 35 P HA 0.104 nan 4.420 nan 0.000 0.232 35 P C -0.960 176.361 177.300 0.035 0.000 1.814 35 P CA -0.183 62.936 63.100 0.032 0.000 1.085 35 P CB -0.292 31.376 31.700 -0.054 0.000 1.901 36 N N 1.518 120.144 118.700 -0.124 0.000 2.299 36 N HA 0.314 5.054 4.740 -0.001 0.000 0.246 36 N C 0.231 175.341 175.510 -0.667 0.000 1.254 36 N CA -0.660 52.292 53.050 -0.162 0.000 0.879 36 N CB 0.872 39.352 38.487 -0.011 0.000 1.214 36 N HN 0.297 nan 8.380 nan 0.000 0.510 37 G N -0.673 107.315 108.800 -1.353 0.000 2.315 37 G HA2 0.284 4.243 3.960 -0.001 0.000 0.294 37 G HA3 0.284 4.243 3.960 -0.001 0.000 0.294 37 G C -2.166 172.037 174.900 -1.161 0.000 1.300 37 G CA -0.860 43.329 45.100 -1.519 0.000 0.843 37 G HN -0.036 nan 8.290 nan 0.000 0.527 38 Y N -0.617 118.763 120.300 -1.535 0.000 2.354 38 Y HA 0.670 5.219 4.550 -0.001 0.000 0.322 38 Y C 0.822 176.560 175.900 -0.271 0.000 1.253 38 Y CA -0.965 56.702 58.100 -0.723 0.000 1.272 38 Y CB 1.161 39.285 38.460 -0.561 0.000 1.255 38 Y HN 0.395 nan 8.280 nan 0.000 0.500 39 L N 2.919 124.111 121.223 -0.052 0.000 2.439 39 L HA 0.146 4.485 4.340 -0.001 0.000 0.269 39 L C 0.051 177.073 176.870 0.253 0.000 1.179 39 L CA 0.111 54.926 54.840 -0.041 0.000 0.828 39 L CB -0.196 41.832 42.059 -0.052 0.000 1.106 39 L HN 0.808 nan 8.230 nan 0.000 0.467 40 H N 0.329 119.721 119.070 0.537 0.000 2.869 40 H HA 0.395 4.951 4.556 -0.001 0.000 0.342 40 H C 0.800 176.284 175.328 0.262 0.000 1.250 40 H CA -0.989 55.260 56.048 0.334 0.000 1.217 40 H CB 0.086 30.015 29.762 0.279 0.000 1.917 40 H HN 0.378 nan 8.280 nan 0.000 0.586 41 I N 0.686 121.510 120.570 0.424 0.000 2.315 41 I HA -0.128 4.041 4.170 -0.001 0.000 0.251 41 I C 2.122 178.449 176.117 0.351 0.000 1.125 41 I CA 2.252 63.738 61.300 0.310 0.000 1.392 41 I CB -0.855 37.260 38.000 0.191 0.000 1.065 41 I HN 0.900 nan 8.210 nan 0.000 0.424 42 G N -1.302 107.786 108.800 0.479 0.000 2.408 42 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.217 42 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.217 42 G C 1.462 176.496 174.900 0.223 0.000 1.150 42 G CA 1.034 46.323 45.100 0.314 0.000 0.776 42 G HN 0.546 nan 8.290 nan 0.000 0.542 43 H N 0.435 119.629 119.070 0.208 0.000 2.423 43 H HA 0.156 4.712 4.556 -0.001 0.000 0.297 43 H C 2.835 178.133 175.328 -0.050 0.000 1.075 43 H CA 0.854 56.958 56.048 0.092 0.000 1.342 43 H CB 0.141 29.927 29.762 0.040 0.000 1.395 43 H HN 0.412 nan 8.280 nan 0.000 0.530 44 A N 0.990 123.898 122.820 0.147 0.000 2.070 44 A HA -0.196 4.124 4.320 -0.001 0.000 0.220 44 A C 2.144 179.731 177.584 0.006 0.000 1.159 44 A CA 1.553 53.624 52.037 0.056 0.000 0.656 44 A CB -0.356 18.741 19.000 0.162 0.000 0.800 44 A HN 0.386 nan 8.150 nan 0.000 0.453 45 K N -0.651 119.786 120.400 0.062 0.000 2.103 45 K HA -0.062 4.258 4.320 -0.001 0.000 0.204 45 K C 2.221 178.781 176.600 -0.067 0.000 1.052 45 K CA 1.394 57.685 56.287 0.007 0.000 0.945 45 K CB -0.202 32.347 32.500 0.082 0.000 0.722 45 K HN 0.360 nan 8.250 nan 0.000 0.443 46 S N 0.477 116.196 115.700 0.030 0.000 2.406 46 S HA 0.007 4.477 4.470 -0.001 0.000 0.228 46 S C 1.844 176.319 174.600 -0.207 0.000 1.020 46 S CA 0.636 58.871 58.200 0.059 0.000 0.965 46 S CB -0.149 63.269 63.200 0.363 0.000 0.798 46 S HN 0.316 nan 8.310 nan 0.000 0.488 47 I N 0.743 121.040 120.570 -0.455 0.000 2.233 47 I HA -0.178 3.992 4.170 -0.001 0.000 0.243 47 I C 2.385 178.162 176.117 -0.567 0.000 1.093 47 I CA 0.864 61.812 61.300 -0.586 0.000 1.380 47 I CB -0.596 36.956 38.000 -0.747 0.000 1.067 47 I HN 0.400 nan 8.210 nan 0.000 0.413 48 C N 0.507 119.526 119.300 -0.468 0.000 2.425 48 C HA -0.141 4.318 4.460 -0.001 0.000 0.277 48 C C 2.743 177.595 174.990 -0.230 0.000 1.280 48 C CA 0.388 59.193 59.018 -0.356 0.000 1.744 48 C CB -0.939 26.754 27.740 -0.078 0.000 1.989 48 C HN 0.477 nan 8.230 nan 0.000 0.491 49 L N 1.207 122.295 121.223 -0.226 0.000 1.976 49 L HA -0.149 4.191 4.340 -0.001 0.000 0.209 49 L C 2.386 179.153 176.870 -0.172 0.000 1.071 49 L CA 1.848 56.552 54.840 -0.227 0.000 0.746 49 L CB -0.690 41.156 42.059 -0.354 0.000 0.890 49 L HN 0.455 nan 8.230 nan 0.000 0.432 50 N N -0.527 118.082 118.700 -0.152 0.000 2.216 50 N HA -0.153 4.587 4.740 -0.001 0.000 0.183 50 N C 1.772 177.166 175.510 -0.193 0.000 1.017 50 N CA 1.410 54.365 53.050 -0.158 0.000 0.861 50 N CB -0.209 38.194 38.487 -0.140 0.000 0.986 50 N HN 0.289 nan 8.380 nan 0.000 0.428 51 F N 0.831 120.616 119.950 -0.275 0.000 2.270 51 F HA 0.129 4.655 4.527 -0.001 0.000 0.295 51 F C 2.589 178.349 175.800 -0.067 0.000 1.087 51 F CA 0.661 58.541 58.000 -0.200 0.000 1.365 51 F CB -0.616 38.127 39.000 -0.429 0.000 1.056 51 F HN 0.027 nan 8.300 nan 0.000 0.506 52 G N 0.586 109.436 108.800 0.083 0.000 2.421 52 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.216 52 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.216 52 G C 1.756 176.707 174.900 0.085 0.000 1.171 52 G CA 0.883 46.055 45.100 0.120 0.000 0.775 52 G HN 0.306 nan 8.290 nan 0.000 0.543 53 I N 1.345 121.941 120.570 0.044 0.000 2.208 53 I HA -0.221 3.949 4.170 -0.001 0.000 0.245 53 I C 3.315 179.531 176.117 0.164 0.000 1.097 53 I CA 0.978 62.343 61.300 0.108 0.000 1.363 53 I CB -0.260 37.712 38.000 -0.047 0.000 1.051 53 I HN 0.270 nan 8.210 nan 0.000 0.413 54 A N 1.232 124.085 122.820 0.054 0.000 1.851 54 A HA -0.299 4.020 4.320 -0.001 0.000 0.216 54 A C 2.282 179.918 177.584 0.088 0.000 1.195 54 A CA 2.185 54.245 52.037 0.037 0.000 0.622 54 A CB -1.011 17.973 19.000 -0.025 0.000 0.831 54 A HN 0.634 nan 8.150 nan 0.000 0.444 55 Q N -0.850 119.013 119.800 0.105 0.000 2.084 55 Q HA -0.233 4.107 4.340 -0.001 0.000 0.202 55 Q C 1.248 177.274 176.000 0.042 0.000 0.978 55 Q CA 1.675 57.529 55.803 0.086 0.000 0.844 55 Q CB -0.650 28.158 28.738 0.118 0.000 0.898 55 Q HN 0.511 nan 8.270 nan 0.000 0.426 56 D N 0.595 121.012 120.400 0.028 0.000 2.123 56 D HA -0.150 4.490 4.640 -0.001 0.000 0.196 56 D C 0.937 177.118 176.300 -0.199 0.000 0.992 56 D CA 1.208 55.145 54.000 -0.105 0.000 0.833 56 D CB -0.234 40.467 40.800 -0.165 0.000 0.954 56 D HN 0.422 nan 8.370 nan 0.000 0.455 57 Y N 0.461 120.737 120.300 -0.040 0.000 2.470 57 Y HA 0.132 4.682 4.550 0.000 0.000 0.284 57 Y C 0.332 176.213 175.900 -0.033 0.000 1.188 57 Y CA -0.240 57.835 58.100 -0.041 0.000 1.269 57 Y CB 0.129 38.555 38.460 -0.057 0.000 1.094 57 Y HN -0.285 nan 8.280 nan 0.000 0.518 58 K N 0.153 120.598 120.400 0.075 0.000 3.148 58 K HA -0.177 4.143 4.320 -0.001 0.000 0.267 58 K C 0.350 176.970 176.600 0.034 0.000 0.996 58 K CA 0.794 57.104 56.287 0.039 0.000 0.737 58 K CB -1.668 30.845 32.500 0.021 0.000 1.308 58 K HN 0.607 nan 8.250 nan 0.000 0.470 59 G N -0.507 108.310 108.800 0.028 0.000 2.990 59 G HA2 0.626 4.585 3.960 -0.001 0.000 0.208 59 G HA3 0.626 4.585 3.960 -0.001 0.000 0.208 59 G C -0.613 174.222 174.900 -0.109 0.000 1.334 59 G CA -0.376 44.700 45.100 -0.040 0.000 1.024 59 G HN 0.071 nan 8.290 nan 0.000 0.574 60 Q N -1.698 117.943 119.800 -0.265 0.000 2.433 60 Q HA 0.543 4.883 4.340 -0.001 0.000 0.279 60 Q C -1.509 174.303 176.000 -0.313 0.000 1.105 60 Q CA -0.533 55.065 55.803 -0.342 0.000 0.815 60 Q CB 2.213 30.597 28.738 -0.590 0.000 1.403 60 Q HN 0.534 nan 8.270 nan 0.000 0.435 61 C N 1.966 121.164 119.300 -0.171 0.000 2.516 61 C HA 0.539 4.999 4.460 -0.001 0.000 0.338 61 C C -1.088 173.837 174.990 -0.108 0.000 1.132 61 C CA -0.533 58.356 59.018 -0.214 0.000 1.310 61 C CB 0.493 27.885 27.740 -0.579 0.000 1.898 61 C HN 0.747 nan 8.230 nan 0.000 0.452 62 N N 2.745 121.433 118.700 -0.021 0.000 2.495 62 N HA 0.639 5.378 4.740 -0.001 0.000 0.280 62 N C -0.899 174.557 175.510 -0.089 0.000 1.168 62 N CA -0.452 52.620 53.050 0.037 0.000 0.978 62 N CB 1.299 39.808 38.487 0.038 0.000 1.191 62 N HN 0.676 nan 8.380 nan 0.000 0.497 63 L N 0.656 121.787 121.223 -0.153 0.000 2.319 63 L HA 0.502 4.842 4.340 -0.001 0.000 0.281 63 L C -0.463 176.064 176.870 -0.572 0.000 1.005 63 L CA -0.357 54.246 54.840 -0.395 0.000 0.828 63 L CB 0.522 42.092 42.059 -0.815 0.000 1.227 63 L HN 0.523 nan 8.230 nan 0.000 0.415 64 R N 4.261 124.401 120.500 -0.599 0.000 2.575 64 R HA 0.504 4.844 4.340 -0.001 0.000 0.293 64 R C -1.683 174.224 176.300 -0.654 0.000 0.983 64 R CA -0.567 55.218 56.100 -0.525 0.000 0.887 64 R CB 1.092 31.232 30.300 -0.267 0.000 1.184 64 R HN 0.513 nan 8.270 nan 0.000 0.445 65 F N 2.875 122.592 119.950 -0.388 0.000 2.375 65 F HA 0.177 4.704 4.527 -0.000 0.000 0.362 65 F C 0.449 176.205 175.800 -0.074 0.000 1.129 65 F CA -0.376 57.474 58.000 -0.249 0.000 1.154 65 F CB 1.097 39.952 39.000 -0.241 0.000 1.205 65 F HN 0.364 nan 8.300 nan 0.000 0.513 66 D N 3.813 124.256 120.400 0.071 0.000 2.498 66 D HA 0.003 4.643 4.640 -0.001 0.000 0.229 66 D C -0.106 176.322 176.300 0.213 0.000 1.188 66 D CA 0.152 54.235 54.000 0.138 0.000 1.028 66 D CB -0.013 40.878 40.800 0.152 0.000 1.087 66 D HN 0.434 nan 8.370 nan 0.000 0.510 67 D N 0.409 120.968 120.400 0.265 0.000 2.973 67 D HA -0.017 4.623 4.640 -0.001 0.000 0.263 67 D C 1.170 177.728 176.300 0.430 0.000 1.266 67 D CA -0.435 53.772 54.000 0.344 0.000 0.975 67 D CB -0.022 41.021 40.800 0.406 0.000 1.032 67 D HN 0.094 nan 8.370 nan 0.000 0.510 68 T N -3.077 111.686 114.554 0.348 0.000 3.067 68 T HA -0.002 4.348 4.350 -0.001 0.000 0.257 68 T C 0.738 175.566 174.700 0.214 0.000 1.105 68 T CA -0.165 62.150 62.100 0.357 0.000 1.104 68 T CB -0.097 68.931 68.868 0.268 0.000 0.925 68 T HN 0.077 nan 8.240 nan 0.000 0.498 69 N N 2.551 121.344 118.700 0.155 0.000 2.800 69 N HA 0.305 5.045 4.740 -0.001 0.000 0.240 69 N C -1.801 173.711 175.510 0.004 0.000 1.096 69 N CA -2.520 50.552 53.050 0.037 0.000 0.877 69 N CB 1.820 40.348 38.487 0.067 0.000 1.138 69 N HN 0.037 nan 8.380 nan 0.000 0.509 70 P HA -0.206 nan 4.420 nan 0.000 0.216 70 P C 1.268 178.550 177.300 -0.029 0.000 1.157 70 P CA 1.416 64.453 63.100 -0.104 0.000 0.880 70 P CB 0.109 31.653 31.700 -0.260 0.000 0.791 71 V N -3.671 116.222 119.914 -0.035 0.000 3.330 71 V HA -0.006 4.114 4.120 -0.001 0.000 0.273 71 V C 1.672 177.796 176.094 0.049 0.000 1.179 71 V CA 1.459 63.770 62.300 0.018 0.000 1.174 71 V CB -1.234 30.603 31.823 0.024 0.000 0.794 71 V HN -0.040 nan 8.190 nan 0.000 0.527 72 K N 0.121 120.557 120.400 0.059 0.000 2.412 72 K HA 0.386 4.705 4.320 -0.001 0.000 0.202 72 K C 0.469 177.142 176.600 0.121 0.000 1.102 72 K CA 0.206 56.547 56.287 0.089 0.000 1.027 72 K CB 0.873 33.420 32.500 0.079 0.000 0.931 72 K HN 0.676 nan 8.250 nan 0.000 0.557 73 E N 0.472 120.730 120.200 0.098 0.000 2.259 73 E HA 0.360 4.709 4.350 -0.001 0.000 0.257 73 E C -1.140 175.421 176.600 -0.065 0.000 0.998 73 E CA -0.684 55.754 56.400 0.063 0.000 0.866 73 E CB 1.183 30.903 29.700 0.034 0.000 1.220 73 E HN -0.176 nan 8.360 nan 0.000 0.415 74 D N -0.485 119.759 120.400 -0.260 0.000 2.736 74 D HA 0.157 4.797 4.640 -0.001 0.000 0.223 74 D C -0.382 175.563 176.300 -0.591 0.000 1.231 74 D CA -0.618 53.125 54.000 -0.429 0.000 0.818 74 D CB 1.501 41.968 40.800 -0.555 0.000 1.587 74 D HN 0.341 nan 8.370 nan 0.000 0.463 75 I N 2.026 122.310 120.570 -0.477 0.000 2.614 75 I HA -0.054 4.116 4.170 -0.001 0.000 0.258 75 I C 1.868 177.763 176.117 -0.371 0.000 1.189 75 I CA 1.319 62.380 61.300 -0.399 0.000 1.462 75 I CB -0.088 37.775 38.000 -0.229 0.000 1.092 75 I HN 0.601 nan 8.210 nan 0.000 0.442 76 E N -0.316 119.624 120.200 -0.433 0.000 2.058 76 E HA -0.280 4.070 4.350 -0.001 0.000 0.194 76 E C 2.036 178.389 176.600 -0.411 0.000 0.997 76 E CA 1.617 57.776 56.400 -0.401 0.000 0.801 76 E CB -0.227 29.189 29.700 -0.474 0.000 0.746 76 E HN 0.561 nan 8.360 nan 0.000 0.450 77 Y N -0.008 120.068 120.300 -0.372 0.000 2.242 77 Y HA -0.155 4.395 4.550 -0.001 0.000 0.291 77 Y C 2.492 178.122 175.900 -0.449 0.000 1.137 77 Y CA 0.992 58.793 58.100 -0.499 0.000 1.181 77 Y CB -1.143 37.080 38.460 -0.395 0.000 0.989 77 Y HN 0.128 nan 8.280 nan 0.000 0.527 78 V N -0.165 119.538 119.914 -0.350 0.000 2.453 78 V HA -0.213 3.907 4.120 -0.001 0.000 0.247 78 V C 1.717 177.627 176.094 -0.306 0.000 1.048 78 V CA 2.051 64.007 62.300 -0.573 0.000 1.049 78 V CB -0.439 30.767 31.823 -1.028 0.000 0.672 78 V HN 0.391 nan 8.190 nan 0.000 0.457 79 E N 1.833 121.888 120.200 -0.241 0.000 2.110 79 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 79 E C 2.390 178.926 176.600 -0.107 0.000 0.988 79 E CA 1.856 58.178 56.400 -0.131 0.000 0.804 79 E CB -0.330 29.297 29.700 -0.123 0.000 0.745 79 E HN 0.877 nan 8.360 nan 0.000 0.458 80 S N 0.971 116.541 115.700 -0.217 0.000 2.371 80 S HA -0.093 4.377 4.470 -0.001 0.000 0.224 80 S C 2.141 176.651 174.600 -0.150 0.000 1.029 80 S CA 0.533 58.575 58.200 -0.263 0.000 0.978 80 S CB -0.446 62.338 63.200 -0.694 0.000 0.833 80 S HN 0.130 nan 8.310 nan 0.000 0.466 81 I N 2.345 122.842 120.570 -0.122 0.000 2.163 81 I HA -0.254 3.916 4.170 -0.001 0.000 0.243 81 I C 2.632 178.795 176.117 0.075 0.000 1.085 81 I CA 1.566 62.866 61.300 0.000 0.000 1.347 81 I CB -0.353 37.725 38.000 0.130 0.000 1.044 81 I HN 0.284 nan 8.210 nan 0.000 0.408 82 K N 0.307 120.780 120.400 0.121 0.000 2.063 82 K HA -0.240 4.079 4.320 -0.001 0.000 0.208 82 K C 1.973 178.726 176.600 0.254 0.000 1.048 82 K CA 1.798 58.173 56.287 0.147 0.000 0.928 82 K CB -0.431 32.197 32.500 0.212 0.000 0.713 82 K HN 0.231 nan 8.250 nan 0.000 0.442 83 N N 1.782 120.579 118.700 0.161 0.000 2.036 83 N HA -0.193 4.547 4.740 -0.001 0.000 0.195 83 N C 1.258 176.880 175.510 0.186 0.000 1.037 83 N CA 1.888 55.027 53.050 0.148 0.000 0.855 83 N CB -0.274 38.249 38.487 0.060 0.000 1.033 83 N HN 0.136 nan 8.380 nan 0.000 0.423 84 D N -0.427 120.063 120.400 0.149 0.000 2.178 84 D HA -0.069 4.571 4.640 -0.001 0.000 0.202 84 D C 2.022 178.470 176.300 0.247 0.000 0.974 84 D CA 0.529 54.661 54.000 0.220 0.000 0.841 84 D CB -0.086 40.801 40.800 0.145 0.000 0.953 84 D HN 0.142 nan 8.370 nan 0.000 0.478 85 V N 1.678 121.705 119.914 0.189 0.000 2.295 85 V HA -0.224 3.895 4.120 -0.001 0.000 0.246 85 V C 2.322 178.489 176.094 0.122 0.000 1.049 85 V CA 1.656 64.041 62.300 0.142 0.000 1.024 85 V CB -0.401 31.532 31.823 0.182 0.000 0.648 85 V HN 0.184 nan 8.190 nan 0.000 0.447 86 E N -1.209 119.101 120.200 0.183 0.000 2.072 86 E HA -0.279 4.071 4.350 -0.001 0.000 0.191 86 E C 1.969 178.544 176.600 -0.042 0.000 0.985 86 E CA 1.547 57.936 56.400 -0.018 0.000 0.801 86 E CB -0.286 29.446 29.700 0.053 0.000 0.750 86 E HN 0.753 nan 8.360 nan 0.000 0.452 87 W N 1.906 123.174 121.300 -0.054 0.000 2.342 87 W HA -0.163 4.497 4.660 0.000 0.000 0.297 87 W C 1.692 178.152 176.519 -0.099 0.000 1.213 87 W CA 1.272 58.581 57.345 -0.059 0.000 1.251 87 W CB -0.195 29.257 29.460 -0.012 0.000 1.136 87 W HN -0.037 nan 8.180 nan 0.000 0.526 88 L N 0.202 121.323 121.223 -0.170 0.000 2.191 88 L HA 0.008 4.348 4.340 -0.001 0.000 0.212 88 L C 1.990 178.445 176.870 -0.690 0.000 1.103 88 L CA 1.429 56.043 54.840 -0.377 0.000 0.769 88 L CB -0.977 41.121 42.059 0.064 0.000 0.908 88 L HN 0.371 nan 8.230 nan 0.000 0.438 89 G N -1.402 106.995 108.800 -0.672 0.000 2.159 89 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.170 89 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.170 89 G C -0.142 174.161 174.900 -0.996 0.000 1.007 89 G CA -0.696 43.921 45.100 -0.805 0.000 0.672 89 G HN 0.100 nan 8.290 nan 0.000 0.507 90 F N 1.546 121.178 119.950 -0.531 0.000 2.458 90 F HA 0.730 5.257 4.527 -0.000 0.000 0.330 90 F C 0.650 176.019 175.800 -0.718 0.000 1.082 90 F CA -0.876 56.770 58.000 -0.590 0.000 0.995 90 F CB 1.339 39.786 39.000 -0.921 0.000 1.170 90 F HN 0.021 nan 8.300 nan 0.000 0.478 91 H N 0.843 119.959 119.070 0.076 0.000 2.529 91 H HA 0.187 4.742 4.556 -0.001 0.000 0.348 91 H C -1.008 174.502 175.328 0.304 0.000 1.079 91 H CA -1.085 54.924 56.048 -0.066 0.000 1.198 91 H CB 1.317 30.976 29.762 -0.172 0.000 1.521 91 H HN 0.804 nan 8.280 nan 0.000 0.514 92 W N 1.482 123.053 121.300 0.453 0.000 2.253 92 W HA 0.492 5.152 4.660 -0.000 0.000 0.348 92 W C 0.224 176.874 176.519 0.219 0.000 1.229 92 W CA -1.121 56.476 57.345 0.419 0.000 1.335 92 W CB 0.359 30.030 29.460 0.353 0.000 1.165 92 W HN 0.349 nan 8.180 nan 0.000 0.631 93 S N 1.827 117.757 115.700 0.383 0.000 2.474 93 S HA 0.509 4.978 4.470 -0.001 0.000 0.276 93 S C 0.661 175.424 174.600 0.272 0.000 1.227 93 S CA 0.595 58.924 58.200 0.216 0.000 1.050 93 S CB -0.728 62.537 63.200 0.108 0.000 0.939 93 S HN 1.565 nan 8.310 nan 0.000 0.490 94 G N 5.692 114.609 108.800 0.195 0.000 2.569 94 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.259 94 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.259 94 G C -0.278 174.805 174.900 0.304 0.000 1.263 94 G CA -0.227 44.992 45.100 0.198 0.000 0.928 94 G HN 0.767 nan 8.290 nan 0.000 0.572 95 N N -0.806 118.048 118.700 0.256 0.000 2.354 95 N HA 0.401 5.140 4.740 -0.001 0.000 0.246 95 N C 0.596 176.284 175.510 0.296 0.000 1.285 95 N CA -0.199 53.026 53.050 0.292 0.000 0.925 95 N CB 0.763 39.369 38.487 0.198 0.000 1.174 95 N HN 0.592 nan 8.380 nan 0.000 0.478 96 V N 2.081 122.134 119.914 0.233 0.000 2.637 96 V HA 0.123 4.242 4.120 -0.001 0.000 0.296 96 V C 0.637 176.667 176.094 -0.107 0.000 1.046 96 V CA -0.062 62.178 62.300 -0.101 0.000 1.066 96 V CB 0.296 32.054 31.823 -0.109 0.000 0.968 96 V HN 0.460 nan 8.190 nan 0.000 0.483 97 R N 3.459 123.810 120.500 -0.248 0.000 2.643 97 R HA 0.610 4.949 4.340 -0.001 0.000 0.272 97 R C -1.355 174.726 176.300 -0.365 0.000 0.995 97 R CA -0.684 55.312 56.100 -0.174 0.000 1.032 97 R CB 1.137 31.391 30.300 -0.077 0.000 1.126 97 R HN 0.599 nan 8.270 nan 0.000 0.505 98 Y N -1.301 118.915 120.300 -0.141 0.000 2.492 98 Y HA 0.177 4.727 4.550 -0.000 0.000 0.346 98 Y C 1.274 176.968 175.900 -0.344 0.000 0.997 98 Y CA -0.504 57.519 58.100 -0.127 0.000 1.025 98 Y CB 2.439 40.820 38.460 -0.133 0.000 1.263 98 Y HN 0.523 nan 8.280 nan 0.000 0.454 99 S N 0.186 115.845 115.700 -0.068 0.000 2.382 99 S HA -0.189 4.281 4.470 -0.001 0.000 0.228 99 S C 1.892 176.184 174.600 -0.514 0.000 1.027 99 S CA 1.771 59.898 58.200 -0.121 0.000 0.991 99 S CB -0.321 62.912 63.200 0.056 0.000 0.823 99 S HN 0.796 nan 8.310 nan 0.000 0.469 100 S N 1.666 116.885 115.700 -0.801 0.000 2.500 100 S HA -0.102 4.368 4.470 -0.001 0.000 0.239 100 S C 0.908 174.910 174.600 -0.997 0.000 0.989 100 S CA 0.900 58.057 58.200 -1.738 0.000 0.951 100 S CB -0.363 62.068 63.200 -1.282 0.000 0.759 100 S HN 0.355 nan 8.310 nan 0.000 0.523 101 D N 0.643 120.604 120.400 -0.731 0.000 2.348 101 D HA 0.014 4.653 4.640 -0.001 0.000 0.216 101 D C 0.235 176.211 176.300 -0.539 0.000 0.970 101 D CA 0.784 54.421 54.000 -0.605 0.000 0.889 101 D CB -0.159 40.220 40.800 -0.702 0.000 0.912 101 D HN 0.615 nan 8.370 nan 0.000 0.524 102 Y N -1.198 119.018 120.300 -0.140 0.000 2.584 102 Y HA 0.196 4.746 4.550 -0.001 0.000 0.254 102 Y C 1.281 177.240 175.900 0.098 0.000 1.177 102 Y CA -0.912 57.175 58.100 -0.022 0.000 1.216 102 Y CB -0.415 38.018 38.460 -0.045 0.000 1.172 102 Y HN -0.191 nan 8.280 nan 0.000 0.529 103 F N 1.093 121.016 119.950 -0.045 0.000 2.202 103 F HA -0.207 4.319 4.527 -0.000 0.000 0.301 103 F C 1.717 177.480 175.800 -0.062 0.000 1.082 103 F CA 0.981 58.830 58.000 -0.251 0.000 1.313 103 F CB -0.456 38.139 39.000 -0.676 0.000 1.024 103 F HN 0.207 nan 8.300 nan 0.000 0.495 104 D N -0.861 119.778 120.400 0.398 0.000 2.162 104 D HA -0.118 4.522 4.640 -0.001 0.000 0.203 104 D C 2.142 178.634 176.300 0.319 0.000 0.967 104 D CA 0.671 54.931 54.000 0.434 0.000 0.840 104 D CB -0.186 40.813 40.800 0.331 0.000 0.972 104 D HN 0.236 nan 8.370 nan 0.000 0.482 105 Q N 0.312 120.260 119.800 0.246 0.000 2.079 105 Q HA -0.061 4.279 4.340 -0.001 0.000 0.200 105 Q C 2.046 178.171 176.000 0.208 0.000 0.974 105 Q CA 0.582 56.472 55.803 0.145 0.000 0.840 105 Q CB -0.185 28.656 28.738 0.172 0.000 0.898 105 Q HN 0.105 nan 8.270 nan 0.000 0.430 106 L N -0.380 121.017 121.223 0.290 0.000 2.017 106 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 106 L C 2.245 179.465 176.870 0.582 0.000 1.073 106 L CA 2.139 57.166 54.840 0.311 0.000 0.745 106 L CB -1.446 40.742 42.059 0.216 0.000 0.894 106 L HN 0.422 nan 8.230 nan 0.000 0.432 107 H N -0.228 119.100 119.070 0.431 0.000 2.319 107 H HA -0.134 4.422 4.556 -0.001 0.000 0.299 107 H C 2.075 177.600 175.328 0.328 0.000 1.092 107 H CA 1.935 58.225 56.048 0.404 0.000 1.302 107 H CB 0.104 30.060 29.762 0.323 0.000 1.373 107 H HN 0.270 nan 8.280 nan 0.000 0.497 108 A N -0.298 122.663 122.820 0.234 0.000 1.940 108 A HA -0.203 4.117 4.320 -0.001 0.000 0.219 108 A C 2.086 179.660 177.584 -0.015 0.000 1.176 108 A CA 1.656 53.708 52.037 0.025 0.000 0.631 108 A CB -1.066 17.888 19.000 -0.077 0.000 0.814 108 A HN 0.594 nan 8.150 nan 0.000 0.446 109 Y N -0.277 120.126 120.300 0.173 0.000 2.220 109 Y HA -0.006 4.544 4.550 -0.001 0.000 0.291 109 Y C 2.909 178.963 175.900 0.258 0.000 1.129 109 Y CA 0.371 58.587 58.100 0.193 0.000 1.161 109 Y CB -0.806 37.749 38.460 0.158 0.000 0.997 109 Y HN 0.326 nan 8.280 nan 0.000 0.522 110 A N 0.090 123.197 122.820 0.480 0.000 1.940 110 A HA -0.194 4.126 4.320 -0.001 0.000 0.219 110 A C 2.270 179.812 177.584 -0.069 0.000 1.176 110 A CA 1.890 53.980 52.037 0.087 0.000 0.631 110 A CB -1.089 17.912 19.000 0.001 0.000 0.814 110 A HN 0.478 nan 8.150 nan 0.000 0.446 111 I N -0.859 119.699 120.570 -0.019 0.000 2.394 111 I HA -0.218 3.952 4.170 -0.001 0.000 0.251 111 I C 2.515 178.636 176.117 0.007 0.000 1.136 111 I CA 1.592 62.876 61.300 -0.028 0.000 1.425 111 I CB -0.232 37.746 38.000 -0.036 0.000 1.079 111 I HN 0.561 nan 8.210 nan 0.000 0.425 112 E N 1.484 121.717 120.200 0.054 0.000 2.047 112 E HA -0.205 4.144 4.350 -0.001 0.000 0.191 112 E C 2.380 179.008 176.600 0.047 0.000 0.987 112 E CA 1.110 57.549 56.400 0.064 0.000 0.799 112 E CB -0.006 29.777 29.700 0.138 0.000 0.752 112 E HN 0.421 nan 8.360 nan 0.000 0.449 113 L N 0.753 122.010 121.223 0.057 0.000 2.012 113 L HA -0.222 4.117 4.340 -0.001 0.000 0.210 113 L C 2.615 179.491 176.870 0.009 0.000 1.073 113 L CA 1.104 55.958 54.840 0.023 0.000 0.748 113 L CB -0.476 41.599 42.059 0.026 0.000 0.891 113 L HN 0.297 nan 8.230 nan 0.000 0.431 114 I N 0.114 120.664 120.570 -0.033 0.000 2.099 114 I HA -0.363 3.806 4.170 -0.001 0.000 0.239 114 I C 2.092 178.215 176.117 0.010 0.000 1.066 114 I CA 1.993 63.276 61.300 -0.030 0.000 1.324 114 I CB -0.552 37.407 38.000 -0.068 0.000 1.037 114 I HN 0.347 nan 8.210 nan 0.000 0.401 115 N N 0.420 119.126 118.700 0.010 0.000 2.137 115 N HA -0.236 4.504 4.740 -0.001 0.000 0.190 115 N C 1.708 177.230 175.510 0.019 0.000 1.017 115 N CA 1.143 54.203 53.050 0.017 0.000 0.859 115 N CB -0.079 38.417 38.487 0.015 0.000 1.002 115 N HN 0.253 nan 8.380 nan 0.000 0.428 116 K N -0.299 120.112 120.400 0.018 0.000 2.486 116 K HA 0.013 4.332 4.320 -0.001 0.000 0.194 116 K C 0.769 177.389 176.600 0.033 0.000 1.033 116 K CA 0.506 56.802 56.287 0.016 0.000 1.004 116 K CB 0.224 32.723 32.500 -0.001 0.000 0.798 116 K HN 0.297 nan 8.250 nan 0.000 0.495 117 G N 0.797 109.624 108.800 0.046 0.000 2.159 117 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.256 117 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.256 117 G C 0.422 175.388 174.900 0.110 0.000 0.977 117 G CA 0.240 45.379 45.100 0.065 0.000 0.652 117 G HN 0.284 nan 8.290 nan 0.000 0.531 118 L N 0.054 121.355 121.223 0.131 0.000 2.685 118 L HA 0.649 4.989 4.340 -0.001 0.000 0.233 118 L C 1.027 178.040 176.870 0.239 0.000 1.173 118 L CA 0.556 55.545 54.840 0.248 0.000 0.961 118 L CB -0.033 42.217 42.059 0.317 0.000 1.217 118 L HN 0.592 nan 8.230 nan 0.000 0.478 119 A N 0.033 122.934 122.820 0.135 0.000 2.589 119 A HA 0.724 5.044 4.320 -0.001 0.000 0.296 119 A C -1.673 175.945 177.584 0.057 0.000 1.062 119 A CA -0.444 51.596 52.037 0.005 0.000 0.686 119 A CB 1.386 20.293 19.000 -0.154 0.000 1.282 119 A HN 0.197 nan 8.150 nan 0.000 0.404 120 Y N -1.321 118.912 120.300 -0.113 0.000 2.609 120 Y HA 0.697 5.247 4.550 -0.000 0.000 0.336 120 Y C -1.131 174.704 175.900 -0.108 0.000 1.129 120 Y CA -1.558 56.492 58.100 -0.083 0.000 1.040 120 Y CB 0.898 39.339 38.460 -0.031 0.000 1.310 120 Y HN 0.459 nan 8.280 nan 0.000 0.460 121 V N 2.902 122.812 119.914 -0.005 0.000 2.408 121 V HA 0.217 4.337 4.120 -0.001 0.000 0.267 121 V C -0.536 175.548 176.094 -0.017 0.000 1.047 121 V CA -0.000 62.243 62.300 -0.095 0.000 0.937 121 V CB 0.693 32.517 31.823 0.002 0.000 0.999 121 V HN 0.760 nan 8.190 nan 0.000 0.472 122 D N 3.421 123.717 120.400 -0.172 0.000 2.175 122 D HA 0.320 4.960 4.640 -0.001 0.000 0.248 122 D C 0.598 176.690 176.300 -0.347 0.000 1.047 122 D CA -0.383 53.558 54.000 -0.099 0.000 0.883 122 D CB 1.813 42.581 40.800 -0.054 0.000 1.180 122 D HN 0.616 nan 8.370 nan 0.000 0.438 123 E N 1.640 121.443 120.200 -0.661 0.000 2.538 123 E HA 0.089 4.439 4.350 -0.001 0.000 0.207 123 E C -0.069 176.245 176.600 -0.477 0.000 1.002 123 E CA -0.505 55.466 56.400 -0.714 0.000 0.952 123 E CB 0.594 29.740 29.700 -0.922 0.000 1.031 123 E HN 0.239 nan 8.360 nan 0.000 0.476 124 L N 2.558 123.602 121.223 -0.299 0.000 2.490 124 L HA -0.015 4.324 4.340 -0.001 0.000 0.274 124 L C 1.265 178.075 176.870 -0.101 0.000 1.201 124 L CA 0.638 55.408 54.840 -0.115 0.000 0.869 124 L CB 0.426 42.399 42.059 -0.144 0.000 1.123 124 L HN 0.101 nan 8.230 nan 0.000 0.484 125 T N 1.696 116.225 114.554 -0.041 0.000 2.667 125 T HA 0.147 4.497 4.350 -0.001 0.000 0.305 125 T C -1.693 172.998 174.700 -0.015 0.000 1.022 125 T CA -0.971 61.115 62.100 -0.024 0.000 0.995 125 T CB 0.246 69.122 68.868 0.013 0.000 1.026 125 T HN 0.490 nan 8.240 nan 0.000 0.527 126 P HA 0.044 nan 4.420 nan 0.000 0.221 126 P C 1.145 178.459 177.300 0.023 0.000 1.150 126 P CA 0.829 63.932 63.100 0.005 0.000 0.800 126 P CB 0.048 31.755 31.700 0.012 0.000 0.787 127 E N -1.035 119.185 120.200 0.034 0.000 2.112 127 E HA -0.129 4.221 4.350 -0.001 0.000 0.190 127 E C 2.618 179.263 176.600 0.074 0.000 0.979 127 E CA 1.414 57.843 56.400 0.048 0.000 0.814 127 E CB -1.219 28.509 29.700 0.048 0.000 0.762 127 E HN 0.201 nan 8.360 nan 0.000 0.460 128 Q N 1.204 121.053 119.800 0.081 0.000 2.061 128 Q HA -0.118 4.221 4.340 -0.001 0.000 0.204 128 Q C 2.164 178.259 176.000 0.159 0.000 0.984 128 Q CA 1.804 57.691 55.803 0.140 0.000 0.846 128 Q CB -1.164 nan 28.738 nan 0.000 0.902 128 Q HN 0.476 nan 8.270 nan 0.000 0.421 129 I N -0.379 120.226 120.570 0.057 0.000 2.194 129 I HA -0.330 3.840 4.170 -0.001 0.000 0.246 129 I C 2.821 179.001 176.117 0.104 0.000 1.093 129 I CA 2.021 63.350 61.300 0.048 0.000 1.355 129 I CB -0.061 37.939 38.000 0.001 0.000 1.046 129 I HN 0.478 nan 8.210 nan 0.000 0.413 130 R N 0.668 121.221 120.500 0.087 0.000 2.073 130 R HA -0.174 4.165 4.340 -0.001 0.000 0.229 130 R C 2.102 178.459 176.300 0.096 0.000 1.120 130 R CA 1.621 57.766 56.100 0.074 0.000 0.967 130 R CB -0.157 30.172 30.300 0.049 0.000 0.862 130 R HN 0.459 nan 8.270 nan 0.000 0.436 131 E N -0.665 119.611 120.200 0.127 0.000 2.085 131 E HA -0.223 4.127 4.350 -0.001 0.000 0.194 131 E C 1.580 178.237 176.600 0.096 0.000 0.994 131 E CA 1.398 57.859 56.400 0.101 0.000 0.801 131 E CB -0.106 29.669 29.700 0.125 0.000 0.743 131 E HN 0.427 nan 8.360 nan 0.000 0.453 132 Y N 0.398 120.710 120.300 0.020 0.000 2.516 132 Y HA 0.015 4.564 4.550 -0.001 0.000 0.291 132 Y C 2.194 178.103 175.900 0.014 0.000 1.131 132 Y CA 0.514 58.626 58.100 0.020 0.000 1.281 132 Y CB 0.090 38.571 38.460 0.036 0.000 1.013 132 Y HN -0.107 nan 8.280 nan 0.000 0.554 133 R N 0.151 120.744 120.500 0.154 0.000 2.189 133 R HA 0.081 4.420 4.340 -0.001 0.000 0.223 133 R C 0.944 177.272 176.300 0.047 0.000 1.092 133 R CA 0.892 57.045 56.100 0.088 0.000 0.989 133 R CB -0.313 30.024 30.300 0.062 0.000 0.876 133 R HN 0.497 nan 8.270 nan 0.000 0.457 134 G N -0.676 108.141 108.800 0.028 0.000 2.587 134 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.212 134 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.212 134 G C -0.308 174.592 174.900 0.000 0.000 1.327 134 G CA -0.298 44.804 45.100 0.004 0.000 0.898 134 G HN 0.394 nan 8.290 nan 0.000 0.551 135 T N -2.670 111.879 114.554 -0.009 0.000 2.831 135 T HA 0.684 5.034 4.350 -0.001 0.000 0.287 135 T C 1.649 176.339 174.700 -0.017 0.000 1.070 135 T CA -0.011 62.082 62.100 -0.012 0.000 1.010 135 T CB 1.307 70.165 68.868 -0.017 0.000 1.264 135 T HN 1.015 nan 8.240 nan 0.000 0.532 136 L N 0.660 121.870 121.223 -0.022 0.000 2.187 136 L HA 0.000 4.340 4.340 -0.001 0.000 0.213 136 L C 2.279 179.126 176.870 -0.038 0.000 1.100 136 L CA 1.784 56.605 54.840 -0.031 0.000 0.765 136 L CB -0.816 41.223 42.059 -0.032 0.000 0.904 136 L HN 1.011 nan 8.230 nan 0.000 0.437 137 T N -5.430 109.104 114.554 -0.032 0.000 3.111 137 T HA 0.158 4.508 4.350 -0.001 0.000 0.284 137 T C 0.343 175.025 174.700 -0.030 0.000 0.983 137 T CA -0.361 61.718 62.100 -0.035 0.000 0.900 137 T CB 0.457 69.305 68.868 -0.033 0.000 1.132 137 T HN 0.125 nan 8.240 nan 0.000 0.531 138 Q N 2.527 122.311 119.800 -0.026 0.000 2.290 138 Q HA 0.399 4.738 4.340 -0.001 0.000 0.269 138 Q C -2.874 173.113 176.000 -0.021 0.000 1.016 138 Q CA -2.616 53.172 55.803 -0.025 0.000 0.754 138 Q CB 2.732 31.455 28.738 -0.025 0.000 1.247 138 Q HN 0.143 nan 8.270 nan 0.000 0.451 139 P HA -0.024 nan 4.420 nan 0.000 0.268 139 P C -0.047 177.248 177.300 -0.008 0.000 1.208 139 P CA 0.211 63.304 63.100 -0.012 0.000 0.777 139 P CB 0.811 32.503 31.700 -0.012 0.000 0.875 140 G N 1.830 110.634 108.800 0.008 0.000 2.563 140 G HA2 0.508 4.468 3.960 -0.001 0.000 0.283 140 G HA3 0.508 4.468 3.960 -0.001 0.000 0.283 140 G C -0.587 174.329 174.900 0.027 0.000 1.309 140 G CA -0.718 44.397 45.100 0.024 0.000 1.022 140 G HN 0.670 nan 8.290 nan 0.000 0.501 141 K N -0.848 119.590 120.400 0.064 0.000 2.422 141 K HA 0.322 4.642 4.320 -0.001 0.000 0.251 141 K C -0.777 175.937 176.600 0.190 0.000 0.933 141 K CA -0.837 55.495 56.287 0.074 0.000 0.798 141 K CB 2.019 34.503 32.500 -0.027 0.000 1.238 141 K HN 0.479 nan 8.250 nan 0.000 0.428 142 N N 1.206 119.979 118.700 0.121 0.000 2.458 142 N HA -0.063 4.676 4.740 -0.001 0.000 0.258 142 N C -0.248 175.357 175.510 0.158 0.000 1.219 142 N CA 0.001 53.108 53.050 0.095 0.000 0.902 142 N CB 0.834 39.324 38.487 0.004 0.000 1.076 142 N HN 0.632 nan 8.380 nan 0.000 0.455 143 S N 2.502 118.230 115.700 0.046 0.000 2.584 143 S HA 0.136 4.606 4.470 -0.001 0.000 0.270 143 S C -1.254 173.278 174.600 -0.114 0.000 1.346 143 S CA -1.386 56.754 58.200 -0.099 0.000 1.018 143 S CB 0.711 63.889 63.200 -0.037 0.000 0.899 143 S HN 0.452 nan 8.310 nan 0.000 0.542 144 P HA 0.013 nan 4.420 nan 0.000 0.229 144 P C 0.166 177.185 177.300 -0.467 0.000 1.160 144 P CA 0.961 63.843 63.100 -0.365 0.000 0.777 144 P CB -0.151 31.257 31.700 -0.487 0.000 0.814 145 Y N -0.633 119.613 120.300 -0.089 0.000 2.466 145 Y HA 0.278 4.827 4.550 -0.001 0.000 0.272 145 Y C 2.682 178.462 175.900 -0.200 0.000 1.169 145 Y CA -0.249 57.813 58.100 -0.064 0.000 1.285 145 Y CB -0.658 37.814 38.460 0.020 0.000 1.078 145 Y HN -0.186 nan 8.280 nan 0.000 0.523 146 R N 0.748 121.064 120.500 -0.307 0.000 2.127 146 R HA -0.150 4.190 4.340 -0.001 0.000 0.238 146 R C 0.266 176.257 176.300 -0.515 0.000 1.134 146 R CA 1.688 57.299 56.100 -0.814 0.000 0.975 146 R CB -0.035 29.909 30.300 -0.594 0.000 0.865 146 R HN 0.226 nan 8.270 nan 0.000 0.447 147 D N 0.429 120.685 120.400 -0.240 0.000 2.427 147 D HA 0.045 4.684 4.640 -0.001 0.000 0.224 147 D C -0.084 176.184 176.300 -0.053 0.000 1.157 147 D CA 0.042 53.963 54.000 -0.131 0.000 0.828 147 D CB 0.228 40.970 40.800 -0.096 0.000 0.974 147 D HN 0.196 nan 8.370 nan 0.000 0.498 148 R N 0.586 121.077 120.500 -0.015 0.000 2.863 148 R HA 0.180 4.519 4.340 -0.001 0.000 0.273 148 R C 0.986 177.308 176.300 0.038 0.000 1.057 148 R CA -0.026 56.099 56.100 0.041 0.000 1.191 148 R CB 0.291 30.651 30.300 0.100 0.000 1.104 148 R HN 0.032 nan 8.270 nan 0.000 0.519 149 S N -0.693 115.034 115.700 0.045 0.000 2.632 149 S HA 0.094 4.564 4.470 -0.001 0.000 0.271 149 S C 1.411 176.041 174.600 0.050 0.000 1.260 149 S CA -1.021 57.202 58.200 0.039 0.000 1.010 149 S CB 1.493 64.713 63.200 0.034 0.000 0.965 149 S HN 0.356 nan 8.310 nan 0.000 0.534 150 V N 1.716 121.655 119.914 0.042 0.000 2.380 150 V HA -0.199 3.921 4.120 -0.001 0.000 0.251 150 V C 2.495 178.617 176.094 0.047 0.000 1.063 150 V CA 2.390 64.716 62.300 0.043 0.000 1.055 150 V CB -1.307 30.536 31.823 0.033 0.000 0.657 150 V HN 0.864 nan 8.190 nan 0.000 0.455 151 E N 0.109 120.335 120.200 0.043 0.000 2.077 151 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 151 E C 2.194 178.828 176.600 0.057 0.000 0.989 151 E CA 1.417 57.843 56.400 0.044 0.000 0.800 151 E CB -0.277 29.444 29.700 0.035 0.000 0.746 151 E HN 0.697 nan 8.360 nan 0.000 0.452 152 E N 0.294 120.532 120.200 0.063 0.000 2.072 152 E HA -0.105 4.245 4.350 -0.001 0.000 0.191 152 E C 1.842 178.503 176.600 0.102 0.000 0.985 152 E CA 0.944 57.393 56.400 0.081 0.000 0.801 152 E CB -0.223 29.528 29.700 0.086 0.000 0.750 152 E HN 0.314 nan 8.360 nan 0.000 0.452 153 N N 0.409 119.168 118.700 0.098 0.000 2.166 153 N HA -0.152 4.587 4.740 -0.001 0.000 0.186 153 N C 1.625 177.209 175.510 0.123 0.000 1.019 153 N CA 0.388 53.500 53.050 0.103 0.000 0.856 153 N CB 0.047 38.580 38.487 0.076 0.000 0.993 153 N HN -0.008 nan 8.380 nan 0.000 0.426 154 L N 1.175 122.460 121.223 0.103 0.000 2.017 154 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 154 L C 2.356 179.305 176.870 0.132 0.000 1.073 154 L CA 1.414 56.326 54.840 0.119 0.000 0.745 154 L CB -1.263 40.842 42.059 0.076 0.000 0.894 154 L HN 0.126 nan 8.230 nan 0.000 0.432 155 A N -1.264 121.617 122.820 0.102 0.000 1.873 155 A HA -0.133 4.186 4.320 -0.001 0.000 0.215 155 A C 2.122 179.776 177.584 0.117 0.000 1.186 155 A CA 1.168 53.255 52.037 0.084 0.000 0.616 155 A CB -0.641 18.397 19.000 0.063 0.000 0.823 155 A HN 0.297 nan 8.150 nan 0.000 0.442 156 L N -1.527 119.794 121.223 0.164 0.000 2.042 156 L HA -0.124 4.216 4.340 -0.001 0.000 0.210 156 L C 2.312 179.366 176.870 0.306 0.000 1.076 156 L CA 1.638 56.629 54.840 0.252 0.000 0.749 156 L CB -1.630 40.570 42.059 0.234 0.000 0.893 156 L HN 0.491 nan 8.230 nan 0.000 0.432 157 F N 1.216 121.202 119.950 0.061 0.000 2.134 157 F HA -0.228 4.299 4.527 -0.001 0.000 0.299 157 F C 2.579 178.402 175.800 0.040 0.000 1.097 157 F CA 1.812 59.818 58.000 0.011 0.000 1.264 157 F CB -0.344 38.619 39.000 -0.060 0.000 1.001 157 F HN 0.225 nan 8.300 nan 0.000 0.479 158 E N 0.647 120.845 120.200 -0.003 0.000 2.110 158 E HA -0.204 4.146 4.350 -0.001 0.000 0.193 158 E C 2.234 178.788 176.600 -0.077 0.000 0.988 158 E CA 1.356 57.695 56.400 -0.102 0.000 0.804 158 E CB -0.415 29.269 29.700 -0.027 0.000 0.745 158 E HN 0.118 nan 8.360 nan 0.000 0.458 159 K N 0.080 120.486 120.400 0.010 0.000 2.057 159 K HA -0.119 4.201 4.320 -0.001 0.000 0.207 159 K C 2.110 178.752 176.600 0.069 0.000 1.049 159 K CA 1.640 57.919 56.287 -0.012 0.000 0.931 159 K CB -0.304 32.179 32.500 -0.029 0.000 0.714 159 K HN 0.309 nan 8.250 nan 0.000 0.440 160 M N -0.170 119.548 119.600 0.196 0.000 2.086 160 M HA -0.152 4.328 4.480 -0.001 0.000 0.261 160 M C 2.410 178.683 176.300 -0.045 0.000 1.067 160 M CA 1.436 56.853 55.300 0.196 0.000 1.116 160 M CB -0.262 32.426 32.600 0.147 0.000 1.348 160 M HN 0.061 nan 8.290 nan 0.000 0.407 161 R N 0.290 120.655 120.500 -0.224 0.000 2.081 161 R HA -0.107 4.233 4.340 -0.001 0.000 0.235 161 R C 1.850 178.034 176.300 -0.192 0.000 1.131 161 R CA 1.724 57.651 56.100 -0.288 0.000 0.960 161 R CB -0.286 29.772 30.300 -0.405 0.000 0.856 161 R HN 0.373 nan 8.270 nan 0.000 0.436 162 A N -0.531 122.207 122.820 -0.137 0.000 2.235 162 A HA 0.136 4.456 4.320 -0.001 0.000 0.208 162 A C 1.220 178.792 177.584 -0.020 0.000 1.172 162 A CA 1.008 52.985 52.037 -0.099 0.000 0.786 162 A CB -0.184 18.760 19.000 -0.093 0.000 0.804 162 A HN 0.580 nan 8.150 nan 0.000 0.479 163 G N -2.340 106.484 108.800 0.040 0.000 2.141 163 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.242 163 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.242 163 G C 1.141 176.155 174.900 0.192 0.000 0.982 163 G CA 0.444 45.676 45.100 0.220 0.000 0.662 163 G HN 1.280 nan 8.290 nan 0.000 0.527 164 G N -0.797 108.032 108.800 0.049 0.000 2.598 164 G HA2 0.333 4.293 3.960 -0.001 0.000 0.215 164 G HA3 0.333 4.293 3.960 -0.001 0.000 0.215 164 G C 0.403 175.218 174.900 -0.143 0.000 1.131 164 G CA 0.581 45.622 45.100 -0.097 0.000 0.785 164 G HN 0.437 nan 8.290 nan 0.000 0.539 165 F N 0.190 120.211 119.950 0.117 0.000 2.538 165 F HA 0.439 4.966 4.527 -0.001 0.000 0.325 165 F C 0.355 176.288 175.800 0.222 0.000 1.066 165 F CA -1.289 56.780 58.000 0.115 0.000 0.946 165 F CB 1.643 40.685 39.000 0.070 0.000 1.199 165 F HN -0.021 nan 8.300 nan 0.000 0.473 166 E N 0.806 121.252 120.200 0.409 0.000 2.349 166 E HA 0.163 4.513 4.350 -0.001 0.000 0.265 166 E C -0.700 176.095 176.600 0.325 0.000 1.064 166 E CA -0.655 55.942 56.400 0.328 0.000 0.886 166 E CB 0.618 30.430 29.700 0.187 0.000 1.036 166 E HN 0.513 nan 8.360 nan 0.000 0.413 167 E N 0.242 120.661 120.200 0.364 0.000 2.452 167 E HA 0.025 4.375 4.350 -0.001 0.000 0.261 167 E C 0.824 177.497 176.600 0.122 0.000 0.987 167 E CA 0.789 57.327 56.400 0.231 0.000 0.926 167 E CB 0.325 30.173 29.700 0.247 0.000 0.934 167 E HN 0.838 nan 8.360 nan 0.000 0.452 168 G N 3.149 111.984 108.800 0.057 0.000 2.234 168 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.260 168 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.260 168 G C 1.108 175.986 174.900 -0.036 0.000 0.987 168 G CA 0.689 45.797 45.100 0.013 0.000 0.625 168 G HN 0.479 nan 8.290 nan 0.000 0.532 169 K N 0.611 120.991 120.400 -0.033 0.000 2.296 169 K HA 0.609 4.929 4.320 -0.001 0.000 0.200 169 K C 1.150 177.534 176.600 -0.360 0.000 1.048 169 K CA 1.469 57.693 56.287 -0.104 0.000 0.966 169 K CB 0.124 32.657 32.500 0.055 0.000 0.754 169 K HN 1.222 nan 8.250 nan 0.000 0.466 170 A N -1.112 121.460 122.820 -0.414 0.000 2.610 170 A HA 0.669 4.989 4.320 -0.001 0.000 0.291 170 A C -1.326 176.084 177.584 -0.290 0.000 1.086 170 A CA -0.520 51.189 52.037 -0.546 0.000 0.677 170 A CB 0.869 19.170 19.000 -1.165 0.000 1.278 170 A HN 0.295 nan 8.150 nan 0.000 0.414 171 C N -0.521 118.631 119.300 -0.246 0.000 3.307 171 C HA 0.762 5.222 4.460 -0.001 0.000 0.333 171 C C -1.481 173.393 174.990 -0.194 0.000 1.291 171 C CA -0.759 58.174 59.018 -0.142 0.000 1.273 171 C CB 0.300 27.966 27.740 -0.124 0.000 1.580 171 C HN 1.522 nan 8.230 nan 0.000 0.481 172 L N 2.520 123.643 121.223 -0.167 0.000 2.275 172 L HA 0.729 5.069 4.340 -0.001 0.000 0.288 172 L C 0.142 176.771 176.870 -0.402 0.000 1.046 172 L CA 0.092 54.724 54.840 -0.346 0.000 0.805 172 L CB 0.561 42.334 42.059 -0.477 0.000 1.193 172 L HN 0.792 nan 8.230 nan 0.000 0.426 173 R N 3.538 123.662 120.500 -0.626 0.000 2.778 173 R HA 0.765 5.105 4.340 -0.001 0.000 0.277 173 R C -0.902 175.065 176.300 -0.556 0.000 0.977 173 R CA -0.918 54.810 56.100 -0.619 0.000 0.950 173 R CB 1.871 31.671 30.300 -0.834 0.000 1.165 173 R HN 0.744 nan 8.270 nan 0.000 0.474 174 A N 1.679 124.290 122.820 -0.348 0.000 2.309 174 A HA 0.237 4.557 4.320 -0.001 0.000 0.298 174 A C -0.114 177.418 177.584 -0.086 0.000 1.165 174 A CA -0.389 51.512 52.037 -0.227 0.000 0.821 174 A CB 0.452 19.206 19.000 -0.410 0.000 1.102 174 A HN 0.606 nan 8.150 nan 0.000 0.500 175 K N 3.554 124.018 120.400 0.108 0.000 2.184 175 K HA 0.404 4.723 4.320 -0.001 0.000 0.259 175 K C -0.135 176.489 176.600 0.039 0.000 1.119 175 K CA -0.075 56.324 56.287 0.187 0.000 0.991 175 K CB -0.252 32.389 32.500 0.235 0.000 1.522 175 K HN 0.750 nan 8.250 nan 0.000 0.405 176 I N 0.281 120.780 120.570 -0.118 0.000 5.802 176 I HA 0.192 4.362 4.170 -0.001 0.000 0.233 176 I C -0.072 176.002 176.117 -0.072 0.000 0.873 176 I CA -0.438 60.732 61.300 -0.216 0.000 1.955 176 I CB 0.305 37.974 38.000 -0.552 0.000 1.439 176 I HN 0.386 nan 8.210 nan 0.000 0.475 177 D N 0.364 120.716 120.400 -0.080 0.000 2.375 177 D HA 0.232 4.872 4.640 -0.001 0.000 0.241 177 D C 0.286 176.580 176.300 -0.010 0.000 1.361 177 D CA -0.292 53.697 54.000 -0.019 0.000 0.995 177 D CB 1.136 41.938 40.800 0.003 0.000 1.312 177 D HN 0.124 nan 8.370 nan 0.000 0.576 178 M N 1.812 121.415 119.600 0.005 0.000 2.700 178 M HA 0.088 4.567 4.480 -0.001 0.000 0.249 178 M C 1.138 177.449 176.300 0.018 0.000 1.082 178 M CA 0.497 55.808 55.300 0.019 0.000 1.077 178 M CB -0.574 32.050 32.600 0.038 0.000 1.477 178 M HN 0.488 nan 8.290 nan 0.000 0.529 179 A N -1.227 121.601 122.820 0.014 0.000 2.538 179 A HA 0.231 4.551 4.320 -0.001 0.000 0.269 179 A C 0.953 178.544 177.584 0.012 0.000 1.231 179 A CA -0.187 51.855 52.037 0.009 0.000 0.948 179 A CB 0.117 19.120 19.000 0.006 0.000 1.110 179 A HN 0.225 nan 8.150 nan 0.000 0.529 180 S N 1.415 117.131 115.700 0.026 0.000 2.568 180 S HA 0.236 4.706 4.470 -0.001 0.000 0.282 180 S C -1.072 173.540 174.600 0.019 0.000 1.338 180 S CA -0.715 57.516 58.200 0.051 0.000 1.045 180 S CB 0.701 63.959 63.200 0.098 0.000 0.873 180 S HN 0.375 nan 8.310 nan 0.000 0.516 181 P HA 0.062 nan 4.420 nan 0.000 0.231 181 P C -0.170 177.012 177.300 -0.196 0.000 1.168 181 P CA 0.512 63.524 63.100 -0.147 0.000 0.779 181 P CB 0.054 31.610 31.700 -0.240 0.000 0.844 182 F N 0.492 120.434 119.950 -0.014 0.000 2.404 182 F HA 0.227 4.754 4.527 -0.001 0.000 0.359 182 F C 1.969 177.755 175.800 -0.024 0.000 1.134 182 F CA -0.492 57.498 58.000 -0.016 0.000 1.160 182 F CB -0.006 38.988 39.000 -0.011 0.000 1.186 182 F HN -0.259 nan 8.300 nan 0.000 0.526 183 I N 2.295 122.948 120.570 0.138 0.000 2.423 183 I HA -0.240 3.930 4.170 -0.001 0.000 0.254 183 I C 2.249 178.403 176.117 0.063 0.000 1.151 183 I CA 0.849 62.192 61.300 0.072 0.000 1.421 183 I CB -0.257 37.766 38.000 0.038 0.000 1.079 183 I HN 0.470 nan 8.210 nan 0.000 0.431 184 V N 1.022 120.989 119.914 0.089 0.000 2.759 184 V HA -0.193 3.926 4.120 -0.001 0.000 0.256 184 V C 2.083 178.159 176.094 -0.030 0.000 1.080 184 V CA 1.448 63.768 62.300 0.034 0.000 1.101 184 V CB -0.146 31.704 31.823 0.045 0.000 0.698 184 V HN 0.342 nan 8.190 nan 0.000 0.477 185 M N -0.147 119.445 119.600 -0.015 0.000 2.561 185 M HA 0.212 4.692 4.480 -0.001 0.000 0.238 185 M C 0.795 177.029 176.300 -0.110 0.000 1.131 185 M CA 0.448 55.681 55.300 -0.112 0.000 1.046 185 M CB -0.498 32.063 32.600 -0.065 0.000 1.532 185 M HN 0.234 nan 8.290 nan 0.000 0.497 186 R N 2.110 122.582 120.500 -0.047 0.000 3.710 186 R HA 0.117 4.457 4.340 -0.001 0.000 0.201 186 R C -0.724 175.548 176.300 -0.046 0.000 1.641 186 R CA -0.155 55.928 56.100 -0.029 0.000 1.390 186 R CB -0.878 29.427 30.300 0.009 0.000 1.341 186 R HN 0.148 nan 8.270 nan 0.000 0.728 187 D N 1.588 121.930 120.400 -0.097 0.000 2.812 187 D HA -0.109 4.531 4.640 -0.001 0.000 0.237 187 D C -2.230 173.989 176.300 -0.135 0.000 1.162 187 D CA 0.607 54.547 54.000 -0.100 0.000 0.740 187 D CB -0.361 40.464 40.800 0.043 0.000 1.000 187 D HN 0.371 nan 8.370 nan 0.000 0.416 188 P HA 0.011 nan 4.420 nan 0.000 0.269 188 P C 0.233 177.430 177.300 -0.172 0.000 1.209 188 P CA -0.398 62.618 63.100 -0.139 0.000 0.776 188 P CB 0.895 32.519 31.700 -0.127 0.000 0.876 189 V N 4.010 123.845 119.914 -0.133 0.000 2.655 189 V HA -0.082 4.037 4.120 -0.001 0.000 0.300 189 V C 1.726 177.726 176.094 -0.157 0.000 1.044 189 V CA 0.388 62.596 62.300 -0.154 0.000 1.095 189 V CB 0.344 32.111 31.823 -0.094 0.000 0.952 189 V HN 0.479 nan 8.190 nan 0.000 0.485 190 L N 4.390 125.480 121.223 -0.221 0.000 2.388 190 L HA 0.380 4.720 4.340 -0.001 0.000 0.209 190 L C 0.002 176.718 176.870 -0.257 0.000 1.061 190 L CA 0.939 55.592 54.840 -0.311 0.000 0.834 190 L CB -0.282 41.438 42.059 -0.564 0.000 1.029 190 L HN 0.589 nan 8.230 nan 0.000 0.473 191 Y N -0.873 119.346 120.300 -0.134 0.000 2.524 191 Y HA 0.572 5.122 4.550 -0.000 0.000 0.347 191 Y C -0.365 175.524 175.900 -0.018 0.000 1.005 191 Y CA -1.206 56.883 58.100 -0.017 0.000 1.025 191 Y CB 1.674 40.196 38.460 0.103 0.000 1.275 191 Y HN -0.038 nan 8.280 nan 0.000 0.460 192 R N 0.906 121.518 120.500 0.188 0.000 2.774 192 R HA 0.700 5.039 4.340 -0.001 0.000 0.272 192 R C -2.013 174.348 176.300 0.100 0.000 1.000 192 R CA -0.882 55.278 56.100 0.100 0.000 0.906 192 R CB 1.027 31.363 30.300 0.060 0.000 1.227 192 R HN 0.518 nan 8.270 nan 0.000 0.468 193 I N 1.788 122.378 120.570 0.033 0.000 2.342 193 I HA 0.359 4.529 4.170 -0.001 0.000 0.291 193 I C -0.339 175.763 176.117 -0.025 0.000 1.010 193 I CA -0.463 60.804 61.300 -0.055 0.000 1.308 193 I CB 0.889 38.839 38.000 -0.084 0.000 1.400 193 I HN 0.308 nan 8.210 nan 0.000 0.488 194 K N 7.240 127.611 120.400 -0.047 0.000 2.687 194 K HA 0.293 4.613 4.320 -0.001 0.000 0.249 194 K C -1.099 175.520 176.600 0.031 0.000 0.994 194 K CA -0.430 55.903 56.287 0.078 0.000 0.913 194 K CB 1.406 34.024 32.500 0.198 0.000 1.202 194 K HN 0.356 nan 8.250 nan 0.000 0.460 195 F N 1.952 122.016 119.950 0.190 0.000 2.640 195 F HA 0.275 4.801 4.527 -0.000 0.000 0.354 195 F C 0.784 176.678 175.800 0.157 0.000 1.213 195 F CA -0.406 57.695 58.000 0.168 0.000 1.314 195 F CB 0.407 39.472 39.000 0.108 0.000 1.679 195 F HN 0.378 nan 8.300 nan 0.000 0.622 196 A N 1.007 123.996 122.820 0.282 0.000 2.371 196 A HA 0.483 4.802 4.320 -0.001 0.000 0.311 196 A C -0.346 177.364 177.584 0.210 0.000 1.068 196 A CA -0.796 51.356 52.037 0.192 0.000 0.744 196 A CB 0.809 19.867 19.000 0.096 0.000 1.239 196 A HN 0.442 nan 8.150 nan 0.000 0.435 197 E N 1.702 122.006 120.200 0.173 0.000 2.384 197 E HA 0.074 4.424 4.350 -0.001 0.000 0.266 197 E C -0.515 176.192 176.600 0.178 0.000 1.012 197 E CA -0.100 56.411 56.400 0.184 0.000 0.901 197 E CB 0.363 30.139 29.700 0.127 0.000 0.967 197 E HN 0.709 nan 8.360 nan 0.000 0.435 198 H N 3.047 122.188 119.070 0.119 0.000 2.463 198 H HA 0.063 4.619 4.556 -0.001 0.000 0.332 198 H C 0.459 175.784 175.328 -0.005 0.000 1.127 198 H CA -0.376 55.695 56.048 0.038 0.000 1.238 198 H CB 0.907 30.756 29.762 0.146 0.000 1.478 198 H HN 0.808 nan 8.280 nan 0.000 0.499 199 H N 1.500 120.389 119.070 -0.302 0.000 2.560 199 H HA -0.031 4.525 4.556 -0.001 0.000 0.283 199 H C 0.620 175.873 175.328 -0.125 0.000 1.028 199 H CA 0.914 56.838 56.048 -0.208 0.000 1.221 199 H CB 0.427 30.021 29.762 -0.281 0.000 1.363 199 H HN 0.482 nan 8.280 nan 0.000 0.594 200 Q N -0.069 119.673 119.800 -0.096 0.000 2.459 200 Q HA 0.078 4.418 4.340 -0.001 0.000 0.260 200 Q C 1.427 177.454 176.000 0.044 0.000 0.828 200 Q CA 1.374 57.134 55.803 -0.071 0.000 0.987 200 Q CB 0.696 29.293 28.738 -0.235 0.000 1.216 200 Q HN 0.673 nan 8.270 nan 0.000 0.558 201 T N -2.221 112.465 114.554 0.220 0.000 3.054 201 T HA 0.431 4.781 4.350 -0.001 0.000 0.255 201 T C 1.194 176.020 174.700 0.210 0.000 1.035 201 T CA 0.608 62.828 62.100 0.200 0.000 0.941 201 T CB 0.666 69.722 68.868 0.314 0.000 1.026 201 T HN 0.370 nan 8.240 nan 0.000 0.533 202 G N 3.008 111.927 108.800 0.199 0.000 2.629 202 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.313 202 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.313 202 G C 0.321 175.346 174.900 0.208 0.000 1.217 202 G CA 0.420 45.617 45.100 0.160 0.000 0.994 202 G HN 0.541 nan 8.290 nan 0.000 0.549 203 N N 1.060 119.847 118.700 0.145 0.000 2.467 203 N HA 0.145 4.885 4.740 -0.001 0.000 0.278 203 N C 1.339 176.888 175.510 0.064 0.000 1.306 203 N CA 0.314 53.452 53.050 0.146 0.000 0.905 203 N CB 1.084 39.643 38.487 0.120 0.000 1.236 203 N HN 0.645 nan 8.380 nan 0.000 0.509 204 K N -0.223 120.197 120.400 0.034 0.000 2.365 204 K HA 0.009 4.328 4.320 -0.001 0.000 0.197 204 K C -0.526 175.836 176.600 -0.396 0.000 1.042 204 K CA 0.589 56.759 56.287 -0.194 0.000 0.987 204 K CB 0.385 32.755 32.500 -0.216 0.000 0.779 204 K HN 0.085 nan 8.250 nan 0.000 0.484 205 W N -0.691 120.532 121.300 -0.127 0.000 2.883 205 W HA 0.215 4.874 4.660 -0.000 0.000 0.335 205 W C 0.568 176.860 176.519 -0.378 0.000 1.083 205 W CA -1.269 55.867 57.345 -0.349 0.000 1.233 205 W CB 1.396 30.492 29.460 -0.607 0.000 1.412 205 W HN 0.036 nan 8.180 nan 0.000 0.490 206 C N 0.896 120.092 119.300 -0.173 0.000 3.188 206 C HA 0.482 4.941 4.460 -0.001 0.000 0.315 206 C C 0.673 175.440 174.990 -0.371 0.000 1.285 206 C CA -0.237 58.613 59.018 -0.281 0.000 1.729 206 C CB -1.290 26.216 27.740 -0.389 0.000 2.257 206 C HN 0.453 nan 8.230 nan 0.000 0.645 207 I N -0.988 119.356 120.570 -0.376 0.000 2.441 207 I HA 0.739 4.908 4.170 -0.001 0.000 0.295 207 I C -1.443 174.370 176.117 -0.508 0.000 0.994 207 I CA -0.736 60.422 61.300 -0.237 0.000 1.144 207 I CB 1.055 39.000 38.000 -0.091 0.000 1.314 207 I HN 0.050 nan 8.210 nan 0.000 0.445 208 Y N 5.142 125.454 120.300 0.021 0.000 2.446 208 Y HA 0.573 5.123 4.550 -0.001 0.000 0.345 208 Y C -2.436 173.297 175.900 -0.278 0.000 0.984 208 Y CA -2.424 55.540 58.100 -0.228 0.000 1.058 208 Y CB 2.224 40.571 38.460 -0.188 0.000 1.220 208 Y HN 0.456 nan 8.280 nan 0.000 0.455 209 P HA 0.147 nan 4.420 nan 0.000 0.278 209 P C -0.567 176.624 177.300 -0.183 0.000 1.238 209 P CA -0.266 62.420 63.100 -0.690 0.000 0.794 209 P CB 0.996 32.333 31.700 -0.606 0.000 0.955 210 M N 2.328 121.856 119.600 -0.119 0.000 2.202 210 M HA 0.060 4.540 4.480 -0.001 0.000 0.316 210 M C 1.640 178.012 176.300 0.119 0.000 1.138 210 M CA -0.301 55.023 55.300 0.039 0.000 1.151 210 M CB -0.462 32.158 32.600 0.033 0.000 1.422 210 M HN 0.484 nan 8.290 nan 0.000 0.471 211 Y N 1.924 122.268 120.300 0.073 0.000 2.081 211 Y HA -0.274 4.276 4.550 -0.001 0.000 0.280 211 Y C 1.637 177.602 175.900 0.109 0.000 1.163 211 Y CA 2.299 60.457 58.100 0.098 0.000 1.135 211 Y CB -0.150 38.377 38.460 0.111 0.000 0.970 211 Y HN 0.679 nan 8.280 nan 0.000 0.498 212 D N -0.541 119.801 120.400 -0.098 0.000 2.178 212 D HA -0.197 4.443 4.640 -0.001 0.000 0.201 212 D C 1.910 178.152 176.300 -0.096 0.000 0.980 212 D CA 1.471 55.359 54.000 -0.185 0.000 0.842 212 D CB -0.404 40.427 40.800 0.052 0.000 0.948 212 D HN 0.413 nan 8.370 nan 0.000 0.472 213 F N 1.816 121.658 119.950 -0.179 0.000 2.187 213 F HA -0.091 4.436 4.527 -0.000 0.000 0.295 213 F C 2.376 178.052 175.800 -0.207 0.000 1.091 213 F CA 1.065 58.961 58.000 -0.173 0.000 1.308 213 F CB -0.534 38.369 39.000 -0.161 0.000 1.030 213 F HN -0.193 nan 8.300 nan 0.000 0.487 214 T N -1.432 112.993 114.554 -0.216 0.000 2.737 214 T HA -0.215 4.135 4.350 -0.001 0.000 0.265 214 T C 1.721 176.247 174.700 -0.291 0.000 1.038 214 T CA 1.883 63.838 62.100 -0.242 0.000 1.144 214 T CB -0.643 68.212 68.868 -0.023 0.000 0.866 214 T HN 0.380 nan 8.240 nan 0.000 0.434 215 H N 0.517 119.338 119.070 -0.414 0.000 2.352 215 H HA -0.111 4.445 4.556 -0.001 0.000 0.299 215 H C 2.508 177.573 175.328 -0.438 0.000 1.097 215 H CA 1.979 57.781 56.048 -0.409 0.000 1.311 215 H CB -0.444 28.955 29.762 -0.605 0.000 1.377 215 H HN 0.606 nan 8.280 nan 0.000 0.504 216 C N -0.833 118.097 119.300 -0.617 0.000 2.475 216 C HA 0.094 4.553 4.460 -0.001 0.000 0.279 216 C C 2.646 177.168 174.990 -0.780 0.000 1.322 216 C CA 0.163 58.542 59.018 -1.067 0.000 1.734 216 C CB -1.039 25.761 27.740 -1.568 0.000 2.005 216 C HN 0.531 nan 8.230 nan 0.000 0.495 217 I N 2.376 122.532 120.570 -0.689 0.000 2.202 217 I HA -0.152 4.017 4.170 -0.001 0.000 0.242 217 I C 2.814 178.574 176.117 -0.594 0.000 1.091 217 I CA 1.783 62.697 61.300 -0.643 0.000 1.368 217 I CB -0.573 37.016 38.000 -0.684 0.000 1.058 217 I HN 0.322 nan 8.210 nan 0.000 0.410 218 S N 0.629 115.984 115.700 -0.575 0.000 2.359 218 S HA -0.216 4.253 4.470 -0.001 0.000 0.224 218 S C 1.636 175.901 174.600 -0.558 0.000 1.035 218 S CA 1.600 59.407 58.200 -0.656 0.000 1.018 218 S CB -0.396 62.618 63.200 -0.309 0.000 0.876 218 S HN 0.420 nan 8.310 nan 0.000 0.448 219 D N 1.675 121.778 120.400 -0.495 0.000 2.092 219 D HA -0.054 4.586 4.640 -0.001 0.000 0.193 219 D C 2.231 178.324 176.300 -0.344 0.000 0.994 219 D CA 1.433 55.207 54.000 -0.378 0.000 0.828 219 D CB -0.623 40.017 40.800 -0.267 0.000 0.963 219 D HN 0.365 nan 8.370 nan 0.000 0.450 220 A N 0.670 123.263 122.820 -0.378 0.000 1.883 220 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 220 A C 2.465 179.871 177.584 -0.297 0.000 1.186 220 A CA 1.150 52.995 52.037 -0.320 0.000 0.624 220 A CB -0.879 17.893 19.000 -0.380 0.000 0.822 220 A HN 0.245 nan 8.150 nan 0.000 0.444 221 L N -0.950 120.049 121.223 -0.374 0.000 2.083 221 L HA -0.185 4.155 4.340 -0.001 0.000 0.209 221 L C 2.395 179.098 176.870 -0.278 0.000 1.083 221 L CA 1.586 56.225 54.840 -0.336 0.000 0.752 221 L CB -0.521 41.231 42.059 -0.511 0.000 0.899 221 L HN 0.474 nan 8.230 nan 0.000 0.433 222 E N -0.240 119.763 120.200 -0.328 0.000 2.482 222 E HA -0.012 4.338 4.350 -0.001 0.000 0.196 222 E C 1.152 177.535 176.600 -0.362 0.000 1.047 222 E CA 0.454 56.684 56.400 -0.283 0.000 0.869 222 E CB 0.093 29.619 29.700 -0.290 0.000 0.836 222 E HN 0.554 nan 8.360 nan 0.000 0.520 223 G N 1.750 110.372 108.800 -0.296 0.000 2.182 223 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.248 223 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.248 223 G C 0.129 174.841 174.900 -0.313 0.000 1.042 223 G CA -0.298 44.661 45.100 -0.236 0.000 0.775 223 G HN 0.112 nan 8.290 nan 0.000 0.501 224 I N 1.561 121.929 120.570 -0.338 0.000 2.618 224 I HA 0.134 4.304 4.170 -0.001 0.000 0.284 224 I C 2.044 178.075 176.117 -0.144 0.000 1.146 224 I CA 1.154 62.305 61.300 -0.249 0.000 1.425 224 I CB 0.592 38.483 38.000 -0.182 0.000 1.383 224 I HN 0.395 nan 8.210 nan 0.000 0.562 225 T N 2.980 117.451 114.554 -0.138 0.000 3.031 225 T HA 0.087 4.437 4.350 -0.001 0.000 0.254 225 T C 0.628 175.026 174.700 -0.504 0.000 1.060 225 T CA 0.585 62.442 62.100 -0.405 0.000 1.135 225 T CB 0.067 68.515 68.868 -0.700 0.000 0.896 225 T HN 0.557 nan 8.240 nan 0.000 0.472 226 H N 0.991 120.015 119.070 -0.077 0.000 3.013 226 H HA 0.488 5.043 4.556 -0.000 0.000 0.326 226 H C -1.146 174.208 175.328 0.043 0.000 0.973 226 H CA -0.627 55.452 56.048 0.052 0.000 1.369 226 H CB 1.762 31.556 29.762 0.054 0.000 1.598 226 H HN 0.181 nan 8.280 nan 0.000 0.518 227 S N 5.198 120.956 115.700 0.097 0.000 2.400 227 S HA 0.281 4.751 4.470 -0.001 0.000 0.295 227 S C 0.032 174.698 174.600 0.110 0.000 1.113 227 S CA -0.756 57.491 58.200 0.079 0.000 1.064 227 S CB -0.510 62.708 63.200 0.030 0.000 0.990 227 S HN 0.413 nan 8.310 nan 0.000 0.502 228 L N 6.257 127.583 121.223 0.172 0.000 2.264 228 L HA 0.600 4.940 4.340 -0.001 0.000 0.289 228 L C 0.288 177.312 176.870 0.256 0.000 1.044 228 L CA -0.823 54.167 54.840 0.249 0.000 0.807 228 L CB 0.567 42.770 42.059 0.239 0.000 1.192 228 L HN 0.830 nan 8.230 nan 0.000 0.425 229 C N -0.332 119.086 119.300 0.198 0.000 3.335 229 C HA 0.807 5.267 4.460 -0.001 0.000 0.356 229 C C 0.591 175.426 174.990 -0.259 0.000 1.570 229 C CA -0.689 58.333 59.018 0.008 0.000 1.271 229 C CB 1.436 29.083 27.740 -0.155 0.000 1.873 229 C HN 0.795 nan 8.230 nan 0.000 0.439 230 T N -0.477 113.927 114.554 -0.249 0.000 2.824 230 T HA 0.430 4.780 4.350 -0.001 0.000 0.277 230 T C 0.834 175.490 174.700 -0.073 0.000 0.975 230 T CA -0.449 61.422 62.100 -0.382 0.000 0.966 230 T CB 0.337 69.034 68.868 -0.284 0.000 1.054 230 T HN 0.561 nan 8.240 nan 0.000 0.533 231 L N 0.687 121.841 121.223 -0.115 0.000 2.187 231 L HA -0.004 4.335 4.340 -0.001 0.000 0.213 231 L C 2.500 179.333 176.870 -0.062 0.000 1.100 231 L CA 1.535 56.349 54.840 -0.045 0.000 0.765 231 L CB -1.730 40.300 42.059 -0.048 0.000 0.904 231 L HN 0.748 nan 8.230 nan 0.000 0.437 232 E N -1.326 118.780 120.200 -0.156 0.000 2.267 232 E HA -0.187 4.162 4.350 -0.001 0.000 0.197 232 E C 1.417 177.780 176.600 -0.396 0.000 0.998 232 E CA 1.021 57.225 56.400 -0.328 0.000 0.830 232 E CB -0.306 29.059 29.700 -0.557 0.000 0.751 232 E HN 0.412 nan 8.360 nan 0.000 0.491 233 F N 0.990 120.907 119.950 -0.056 0.000 2.664 233 F HA 0.157 4.684 4.527 -0.001 0.000 0.301 233 F C 1.753 177.546 175.800 -0.011 0.000 1.126 233 F CA 0.014 58.003 58.000 -0.017 0.000 1.373 233 F CB 0.014 39.006 39.000 -0.013 0.000 1.042 233 F HN -0.042 nan 8.300 nan 0.000 0.535 234 Q N 0.374 120.228 119.800 0.091 0.000 2.079 234 Q HA -0.168 4.172 4.340 -0.001 0.000 0.200 234 Q C 1.464 177.510 176.000 0.076 0.000 0.974 234 Q CA 1.545 57.393 55.803 0.074 0.000 0.840 234 Q CB -0.108 28.666 28.738 0.059 0.000 0.898 234 Q HN 0.466 nan 8.270 nan 0.000 0.430 235 D N 0.553 121.008 120.400 0.091 0.000 2.144 235 D HA -0.115 4.525 4.640 -0.001 0.000 0.200 235 D C 1.398 177.712 176.300 0.023 0.000 0.978 235 D CA 0.780 54.858 54.000 0.130 0.000 0.833 235 D CB -0.279 40.620 40.800 0.165 0.000 0.961 235 D HN 0.328 nan 8.370 nan 0.000 0.470 236 N N 1.156 119.908 118.700 0.087 0.000 2.364 236 N HA -0.141 4.599 4.740 -0.001 0.000 0.183 236 N C 1.923 177.486 175.510 0.087 0.000 1.022 236 N CA 0.172 53.302 53.050 0.133 0.000 0.883 236 N CB -0.018 38.672 38.487 0.339 0.000 0.965 236 N HN 0.180 nan 8.380 nan 0.000 0.438 237 R N 1.532 122.049 120.500 0.028 0.000 2.117 237 R HA -0.123 4.217 4.340 -0.001 0.000 0.243 237 R C 1.869 178.158 176.300 -0.019 0.000 1.143 237 R CA 1.330 57.412 56.100 -0.031 0.000 0.968 237 R CB 0.084 30.324 30.300 -0.099 0.000 0.863 237 R HN 0.014 nan 8.270 nan 0.000 0.444 238 R N 0.187 120.595 120.500 -0.154 0.000 2.091 238 R HA -0.126 4.214 4.340 -0.001 0.000 0.238 238 R C 2.035 178.327 176.300 -0.012 0.000 1.136 238 R CA 1.069 57.043 56.100 -0.210 0.000 0.959 238 R CB -0.729 29.182 30.300 -0.648 0.000 0.856 238 R HN 0.211 nan 8.270 nan 0.000 0.437 239 L N -0.720 120.511 121.223 0.013 0.000 2.109 239 L HA -0.067 4.273 4.340 -0.001 0.000 0.207 239 L C 1.861 178.853 176.870 0.203 0.000 1.086 239 L CA 1.527 56.428 54.840 0.101 0.000 0.760 239 L CB -0.717 41.367 42.059 0.041 0.000 0.910 239 L HN 0.192 nan 8.230 nan 0.000 0.437 240 Y N 0.621 120.935 120.300 0.023 0.000 2.097 240 Y HA -0.273 4.276 4.550 -0.000 0.000 0.282 240 Y C 2.241 178.137 175.900 -0.007 0.000 1.152 240 Y CA 2.228 60.318 58.100 -0.018 0.000 1.136 240 Y CB -0.347 38.092 38.460 -0.035 0.000 0.975 240 Y HN 0.309 nan 8.280 nan 0.000 0.498 241 D N -1.051 119.580 120.400 0.385 0.000 2.178 241 D HA -0.208 4.432 4.640 -0.001 0.000 0.202 241 D C 1.818 178.247 176.300 0.214 0.000 0.974 241 D CA 1.261 55.471 54.000 0.349 0.000 0.841 241 D CB -0.852 40.114 40.800 0.277 0.000 0.953 241 D HN 0.574 nan 8.370 nan 0.000 0.478 242 W N 1.753 123.071 121.300 0.030 0.000 2.353 242 W HA -0.225 4.434 4.660 -0.001 0.000 0.319 242 W C 2.189 178.687 176.519 -0.035 0.000 1.207 242 W CA 1.297 58.642 57.345 -0.001 0.000 1.291 242 W CB -0.479 28.973 29.460 -0.013 0.000 1.159 242 W HN -0.256 nan 8.180 nan 0.000 0.478 243 V N 1.422 121.460 119.914 0.207 0.000 2.324 243 V HA -0.353 3.766 4.120 -0.001 0.000 0.250 243 V C 2.258 178.169 176.094 -0.305 0.000 1.060 243 V CA 2.158 64.450 62.300 -0.014 0.000 1.042 243 V CB -1.076 30.807 31.823 0.100 0.000 0.650 243 V HN 0.286 nan 8.190 nan 0.000 0.450 244 L N -0.639 120.378 121.223 -0.343 0.000 2.131 244 L HA -0.076 4.264 4.340 -0.001 0.000 0.206 244 L C 2.257 178.944 176.870 -0.305 0.000 1.087 244 L CA 1.110 55.683 54.840 -0.444 0.000 0.767 244 L CB -0.683 40.937 42.059 -0.732 0.000 0.917 244 L HN 0.284 nan 8.230 nan 0.000 0.441 245 D N 0.222 120.498 120.400 -0.207 0.000 2.263 245 D HA -0.134 4.506 4.640 -0.001 0.000 0.208 245 D C 1.411 177.544 176.300 -0.278 0.000 0.971 245 D CA 0.994 54.900 54.000 -0.156 0.000 0.867 245 D CB -0.102 40.631 40.800 -0.112 0.000 0.929 245 D HN 0.333 nan 8.370 nan 0.000 0.492 246 N N 0.273 118.701 118.700 -0.453 0.000 2.230 246 N HA 0.116 4.855 4.740 -0.001 0.000 0.202 246 N C 0.479 175.801 175.510 -0.313 0.000 1.119 246 N CA 0.038 52.798 53.050 -0.482 0.000 0.851 246 N CB 1.456 39.391 38.487 -0.919 0.000 0.990 246 N HN 0.369 nan 8.380 nan 0.000 0.497 247 I N -2.788 117.629 120.570 -0.255 0.000 3.002 247 I HA 0.420 4.589 4.170 -0.001 0.000 0.310 247 I C -0.467 175.601 176.117 -0.081 0.000 1.087 247 I CA -0.753 60.462 61.300 -0.142 0.000 1.017 247 I CB 1.845 39.664 38.000 -0.302 0.000 1.226 247 I HN -0.359 nan 8.210 nan 0.000 0.443 248 T N 5.136 119.735 114.554 0.075 0.000 2.987 248 T HA 0.493 4.842 4.350 -0.001 0.000 0.288 248 T C -0.335 174.421 174.700 0.093 0.000 0.981 248 T CA 0.246 62.386 62.100 0.066 0.000 1.031 248 T CB -0.730 68.186 68.868 0.080 0.000 0.976 248 T HN 0.434 nan 8.240 nan 0.000 0.612 249 I N 4.894 125.446 120.570 -0.030 0.000 2.569 249 I HA 0.356 4.525 4.170 -0.001 0.000 0.290 249 I C -1.550 174.527 176.117 -0.067 0.000 1.088 249 I CA -2.427 58.835 61.300 -0.063 0.000 1.047 249 I CB 2.910 40.770 38.000 -0.234 0.000 1.237 249 I HN 0.255 nan 8.210 nan 0.000 0.421 250 P HA 0.006 nan 4.420 nan 0.000 0.233 250 P C -0.024 177.258 177.300 -0.030 0.000 1.167 250 P CA 0.742 63.823 63.100 -0.031 0.000 0.770 250 P CB 0.109 31.797 31.700 -0.020 0.000 0.837 251 V N -3.116 116.767 119.914 -0.052 0.000 3.155 251 V HA 0.599 4.719 4.120 -0.001 0.000 0.313 251 V C -1.042 175.048 176.094 -0.007 0.000 1.162 251 V CA -1.174 61.115 62.300 -0.018 0.000 1.048 251 V CB 2.138 33.944 31.823 -0.029 0.000 1.092 251 V HN 0.046 nan 8.190 nan 0.000 0.447 252 H N 0.749 119.794 119.070 -0.042 0.000 2.699 252 H HA 0.548 5.103 4.556 -0.001 0.000 0.256 252 H C -2.934 172.406 175.328 0.020 0.000 1.376 252 H CA -1.470 54.564 56.048 -0.024 0.000 1.549 252 H CB 1.525 31.271 29.762 -0.026 0.000 1.686 252 H HN 0.664 nan 8.280 nan 0.000 0.550 253 P HA 0.026 nan 4.420 nan 0.000 0.267 253 P C -0.497 176.906 177.300 0.173 0.000 1.200 253 P CA -0.153 63.027 63.100 0.133 0.000 0.772 253 P CB 0.671 32.432 31.700 0.101 0.000 0.855 254 R N 1.953 122.430 120.500 -0.037 0.000 2.532 254 R HA 0.362 4.702 4.340 -0.001 0.000 0.295 254 R C -0.064 175.936 176.300 -0.500 0.000 0.968 254 R CA -0.697 55.256 56.100 -0.245 0.000 0.916 254 R CB 1.309 31.492 30.300 -0.195 0.000 1.124 254 R HN 0.557 nan 8.270 nan 0.000 0.463 255 Q N 2.108 121.470 119.800 -0.730 0.000 2.230 255 Q HA 0.387 4.726 4.340 -0.001 0.000 0.253 255 Q C -1.375 174.147 176.000 -0.795 0.000 0.919 255 Q CA -0.473 54.944 55.803 -0.644 0.000 0.908 255 Q CB 1.032 29.395 28.738 -0.625 0.000 1.245 255 Q HN 0.454 nan 8.270 nan 0.000 0.437 256 Y N 1.263 121.588 120.300 0.041 0.000 2.421 256 Y HA 0.331 4.881 4.550 -0.000 0.000 0.339 256 Y C -0.950 175.068 175.900 0.198 0.000 0.996 256 Y CA -0.977 57.206 58.100 0.138 0.000 1.046 256 Y CB 2.108 40.638 38.460 0.118 0.000 1.226 256 Y HN 0.601 nan 8.280 nan 0.000 0.445 257 E N 3.284 123.715 120.200 0.387 0.000 2.207 257 E HA 0.657 5.007 4.350 -0.001 0.000 0.270 257 E C -1.243 175.640 176.600 0.472 0.000 0.927 257 E CA -0.716 55.857 56.400 0.288 0.000 0.799 257 E CB 1.763 31.545 29.700 0.137 0.000 1.172 257 E HN 0.391 nan 8.360 nan 0.000 0.404 258 F N -1.339 118.783 119.950 0.288 0.000 2.620 258 F HA 0.689 5.216 4.527 0.000 0.000 0.320 258 F C -0.177 175.717 175.800 0.156 0.000 1.069 258 F CA -1.491 56.684 58.000 0.292 0.000 0.953 258 F CB 0.882 40.067 39.000 0.308 0.000 1.322 258 F HN 0.297 nan 8.300 nan 0.000 0.479 259 S N 1.134 116.991 115.700 0.262 0.000 2.549 259 S HA 0.426 4.896 4.470 -0.001 0.000 0.279 259 S C -0.167 174.524 174.600 0.151 0.000 1.321 259 S CA -1.039 57.226 58.200 0.107 0.000 1.054 259 S CB 0.519 63.778 63.200 0.097 0.000 0.899 259 S HN 0.933 nan 8.310 nan 0.000 0.497 260 R N 1.444 121.956 120.500 0.020 0.000 2.531 260 R HA 0.530 4.870 4.340 -0.001 0.000 0.273 260 R C -0.307 176.050 176.300 0.094 0.000 1.070 260 R CA -1.000 55.139 56.100 0.064 0.000 1.112 260 R CB 0.167 30.461 30.300 -0.010 0.000 1.049 260 R HN 0.561 nan 8.270 nan 0.000 0.508 261 L N 1.838 123.135 121.223 0.124 0.000 2.426 261 L HA 0.221 4.561 4.340 -0.001 0.000 0.271 261 L C -0.909 175.992 176.870 0.053 0.000 1.169 261 L CA 0.353 55.251 54.840 0.097 0.000 0.836 261 L CB 0.535 42.673 42.059 0.131 0.000 1.112 261 L HN 0.657 nan 8.230 nan 0.000 0.465 262 N N 5.680 124.407 118.700 0.045 0.000 2.295 262 N HA 0.448 5.188 4.740 -0.001 0.000 0.293 262 N C -1.554 173.984 175.510 0.047 0.000 1.040 262 N CA -0.458 52.599 53.050 0.011 0.000 0.840 262 N CB 2.410 40.889 38.487 -0.014 0.000 1.468 262 N HN 0.573 nan 8.380 nan 0.000 0.478 263 L N 1.163 122.411 121.223 0.042 0.000 2.362 263 L HA 0.367 4.707 4.340 -0.001 0.000 0.275 263 L C 0.357 177.255 176.870 0.046 0.000 0.998 263 L CA -0.650 54.239 54.840 0.081 0.000 0.820 263 L CB 2.002 44.119 42.059 0.096 0.000 1.270 263 L HN 0.390 nan 8.230 nan 0.000 0.415 264 E N 2.665 122.894 120.200 0.049 0.000 2.413 264 E HA -0.025 4.325 4.350 -0.001 0.000 0.263 264 E C -0.800 175.849 176.600 0.082 0.000 1.015 264 E CA 0.465 56.842 56.400 -0.038 0.000 0.916 264 E CB 0.307 29.976 29.700 -0.053 0.000 0.947 264 E HN 0.485 nan 8.360 nan 0.000 0.440 265 Y N -1.040 119.306 120.300 0.076 0.000 4.668 265 Y HA -0.282 4.267 4.550 -0.001 0.000 0.234 265 Y C 0.221 176.257 175.900 0.227 0.000 1.056 265 Y CA 1.170 59.355 58.100 0.141 0.000 2.025 265 Y CB -1.751 36.784 38.460 0.125 0.000 1.613 265 Y HN 0.432 nan 8.280 nan 0.000 0.653 266 T N -0.702 113.978 114.554 0.210 0.000 2.868 266 T HA 0.716 5.066 4.350 -0.001 0.000 0.306 266 T C -1.014 173.701 174.700 0.025 0.000 1.224 266 T CA -0.218 62.021 62.100 0.233 0.000 1.012 266 T CB 1.465 70.450 68.868 0.194 0.000 1.221 266 T HN 0.489 nan 8.240 nan 0.000 0.499 267 V N 2.078 122.010 119.914 0.031 0.000 2.483 267 V HA 0.769 4.889 4.120 -0.001 0.000 0.295 267 V C 0.126 176.159 176.094 -0.103 0.000 1.035 267 V CA -0.725 61.505 62.300 -0.116 0.000 0.896 267 V CB 1.413 33.119 31.823 -0.195 0.000 0.986 267 V HN 0.882 nan 8.190 nan 0.000 0.447 268 M N 4.326 123.806 119.600 -0.199 0.000 2.484 268 M HA 0.386 4.866 4.480 -0.001 0.000 0.307 268 M C 0.449 176.526 176.300 -0.371 0.000 1.149 268 M CA 0.211 55.278 55.300 -0.389 0.000 0.972 268 M CB -0.035 32.345 32.600 -0.366 0.000 1.400 268 M HN 1.001 nan 8.290 nan 0.000 0.508 269 S N -1.370 114.235 115.700 -0.158 0.000 2.451 269 S HA 0.410 4.879 4.470 -0.001 0.000 0.301 269 S C 0.838 175.494 174.600 0.093 0.000 1.116 269 S CA -0.829 57.352 58.200 -0.031 0.000 1.093 269 S CB 1.407 64.548 63.200 -0.099 0.000 1.017 269 S HN 0.334 nan 8.310 nan 0.000 0.482 270 K N 1.712 122.251 120.400 0.233 0.000 2.127 270 K HA -0.178 4.142 4.320 -0.001 0.000 0.208 270 K C 2.138 178.875 176.600 0.228 0.000 1.047 270 K CA 1.126 57.610 56.287 0.329 0.000 0.927 270 K CB -0.218 32.448 32.500 0.277 0.000 0.716 270 K HN 0.614 nan 8.250 nan 0.000 0.450 271 R N 2.001 122.566 120.500 0.108 0.000 2.092 271 R HA -0.096 4.244 4.340 -0.001 0.000 0.231 271 R C 1.701 178.020 176.300 0.031 0.000 1.119 271 R CA 1.516 57.655 56.100 0.065 0.000 0.970 271 R CB 0.048 30.357 30.300 0.015 0.000 0.864 271 R HN 0.165 nan 8.270 nan 0.000 0.440 272 K N 0.148 120.509 120.400 -0.065 0.000 2.167 272 K HA 0.030 4.350 4.320 -0.001 0.000 0.203 272 K C 2.187 178.869 176.600 0.138 0.000 1.052 272 K CA 0.724 56.941 56.287 -0.117 0.000 0.956 272 K CB 0.023 32.106 32.500 -0.694 0.000 0.735 272 K HN 0.172 nan 8.250 nan 0.000 0.451 273 L N 1.195 122.443 121.223 0.041 0.000 2.141 273 L HA -0.146 4.194 4.340 -0.001 0.000 0.209 273 L C 2.218 178.838 176.870 -0.416 0.000 1.094 273 L CA 0.642 55.427 54.840 -0.092 0.000 0.763 273 L CB -0.417 41.645 42.059 0.005 0.000 0.908 273 L HN 0.221 nan 8.230 nan 0.000 0.437 274 N N 0.564 119.144 118.700 -0.201 0.000 2.142 274 N HA -0.166 4.574 4.740 -0.001 0.000 0.186 274 N C 1.814 177.265 175.510 -0.098 0.000 1.023 274 N CA 1.125 54.080 53.050 -0.159 0.000 0.852 274 N CB -0.076 38.511 38.487 0.167 0.000 0.998 274 N HN 0.132 nan 8.380 nan 0.000 0.424 275 L N 1.082 122.330 121.223 0.043 0.000 2.083 275 L HA -0.002 4.337 4.340 -0.001 0.000 0.209 275 L C 2.125 179.023 176.870 0.047 0.000 1.083 275 L CA 1.150 56.053 54.840 0.104 0.000 0.752 275 L CB -0.557 41.665 42.059 0.272 0.000 0.899 275 L HN 0.173 nan 8.230 nan 0.000 0.433 276 L N -2.152 119.101 121.223 0.051 0.000 2.083 276 L HA -0.195 4.145 4.340 -0.001 0.000 0.209 276 L C 2.322 179.100 176.870 -0.154 0.000 1.083 276 L CA 0.777 55.620 54.840 0.006 0.000 0.752 276 L CB -0.504 41.573 42.059 0.030 0.000 0.899 276 L HN 0.088 nan 8.230 nan 0.000 0.433 277 V N -1.005 118.737 119.914 -0.287 0.000 2.346 277 V HA -0.212 3.908 4.120 -0.001 0.000 0.244 277 V C 2.485 178.457 176.094 -0.202 0.000 1.037 277 V CA 2.162 64.250 62.300 -0.354 0.000 1.029 277 V CB -0.491 30.904 31.823 -0.713 0.000 0.663 277 V HN 0.448 nan 8.190 nan 0.000 0.454 278 T N -0.356 114.115 114.554 -0.137 0.000 2.777 278 T HA -0.153 4.197 4.350 -0.001 0.000 0.266 278 T C 1.430 176.061 174.700 -0.116 0.000 1.040 278 T CA 1.530 63.589 62.100 -0.068 0.000 1.141 278 T CB -0.298 68.567 68.868 -0.004 0.000 0.868 278 T HN 0.417 nan 8.240 nan 0.000 0.444 279 D N 0.723 121.013 120.400 -0.184 0.000 2.349 279 D HA 0.049 4.689 4.640 -0.001 0.000 0.224 279 D C 0.467 176.442 176.300 -0.541 0.000 1.029 279 D CA 0.274 54.077 54.000 -0.328 0.000 0.879 279 D CB 0.087 40.683 40.800 -0.340 0.000 0.906 279 D HN 0.119 nan 8.370 nan 0.000 0.528 280 K N -0.223 119.950 120.400 -0.378 0.000 3.161 280 K HA -0.193 4.127 4.320 -0.001 0.000 0.270 280 K C -0.138 176.279 176.600 -0.305 0.000 1.115 280 K CA 0.351 56.464 56.287 -0.290 0.000 0.789 280 K CB -2.800 29.586 32.500 -0.191 0.000 1.256 280 K HN 0.544 nan 8.250 nan 0.000 0.492 281 H N -1.513 117.504 119.070 -0.088 0.000 2.551 281 H HA 0.211 4.766 4.556 -0.001 0.000 0.271 281 H C 0.743 176.011 175.328 -0.100 0.000 0.984 281 H CA 0.278 56.267 56.048 -0.099 0.000 1.164 281 H CB 0.630 30.315 29.762 -0.128 0.000 1.437 281 H HN 0.218 nan 8.280 nan 0.000 0.550 282 V N -3.398 116.501 119.914 -0.025 0.000 3.120 282 V HA 0.179 4.298 4.120 -0.001 0.000 0.303 282 V C 0.493 176.558 176.094 -0.048 0.000 1.238 282 V CA -1.103 61.174 62.300 -0.037 0.000 1.008 282 V CB 2.428 34.207 31.823 -0.073 0.000 1.064 282 V HN -0.005 nan 8.190 nan 0.000 0.434 283 E N 1.646 121.838 120.200 -0.013 0.000 2.118 283 E HA 0.277 4.627 4.350 -0.001 0.000 0.195 283 E C 0.941 177.515 176.600 -0.044 0.000 0.992 283 E CA 2.025 58.423 56.400 -0.003 0.000 0.804 283 E CB 0.003 29.730 29.700 0.044 0.000 0.741 283 E HN 1.161 nan 8.360 nan 0.000 0.458 284 G N -2.045 106.707 108.800 -0.079 0.000 2.341 284 G HA2 0.062 4.022 3.960 -0.001 0.000 0.299 284 G HA3 0.062 4.022 3.960 -0.001 0.000 0.299 284 G C -1.068 173.739 174.900 -0.154 0.000 1.274 284 G CA -0.637 44.396 45.100 -0.111 0.000 0.853 284 G HN 0.125 nan 8.290 nan 0.000 0.493 285 W N 0.592 121.728 121.300 -0.274 0.000 2.364 285 W HA 0.054 4.713 4.660 -0.001 0.000 0.281 285 W C 2.079 178.471 176.519 -0.212 0.000 1.219 285 W CA 1.724 58.858 57.345 -0.353 0.000 1.220 285 W CB 0.150 29.027 29.460 -0.971 0.000 1.127 285 W HN 0.629 nan 8.180 nan 0.000 0.556 286 D N -1.057 119.362 120.400 0.033 0.000 2.336 286 D HA -0.026 4.614 4.640 -0.001 0.000 0.228 286 D C -0.344 175.932 176.300 -0.041 0.000 1.120 286 D CA -0.156 53.851 54.000 0.011 0.000 0.839 286 D CB -0.762 40.042 40.800 0.008 0.000 0.932 286 D HN 0.009 nan 8.370 nan 0.000 0.509 287 D N 0.473 120.844 120.400 -0.049 0.000 2.458 287 D HA 0.026 4.665 4.640 -0.001 0.000 0.243 287 D C -1.411 174.813 176.300 -0.127 0.000 1.146 287 D CA -1.433 52.528 54.000 -0.066 0.000 0.877 287 D CB 1.234 42.003 40.800 -0.051 0.000 1.176 287 D HN -0.134 nan 8.370 nan 0.000 0.461 288 P HA -0.123 nan 4.420 nan 0.000 0.224 288 P C 0.342 177.409 177.300 -0.389 0.000 1.142 288 P CA 1.083 63.930 63.100 -0.423 0.000 0.778 288 P CB 0.194 31.363 31.700 -0.884 0.000 0.764 289 R N -2.540 117.811 120.500 -0.248 0.000 2.300 289 R HA 0.200 4.540 4.340 -0.001 0.000 0.199 289 R C 0.743 177.006 176.300 -0.063 0.000 0.920 289 R CA 0.046 56.076 56.100 -0.118 0.000 1.046 289 R CB -0.108 30.172 30.300 -0.033 0.000 0.984 289 R HN 0.196 nan 8.270 nan 0.000 0.493 290 M N 2.215 121.779 119.600 -0.059 0.000 2.250 290 M HA 0.130 4.610 4.480 -0.001 0.000 0.344 290 M C -1.607 174.701 176.300 0.013 0.000 1.150 290 M CA -2.333 52.966 55.300 -0.002 0.000 1.147 290 M CB 0.747 33.352 32.600 0.008 0.000 1.498 290 M HN -0.161 nan 8.290 nan 0.000 0.461 291 P HA 0.034 nan 4.420 nan 0.000 0.253 291 P C 0.091 177.480 177.300 0.148 0.000 1.260 291 P CA 0.226 63.360 63.100 0.056 0.000 0.800 291 P CB -0.432 31.300 31.700 0.054 0.000 1.162 292 T N -2.337 112.334 114.554 0.195 0.000 2.813 292 T HA 0.161 4.511 4.350 -0.001 0.000 0.297 292 T C 1.531 176.336 174.700 0.175 0.000 1.036 292 T CA -0.643 61.629 62.100 0.285 0.000 1.044 292 T CB 0.651 69.719 68.868 0.334 0.000 0.993 292 T HN -0.275 nan 8.240 nan 0.000 0.535 293 I N 1.595 122.280 120.570 0.193 0.000 2.315 293 I HA -0.137 4.033 4.170 -0.001 0.000 0.248 293 I C 2.894 178.998 176.117 -0.021 0.000 1.117 293 I CA 1.689 63.073 61.300 0.141 0.000 1.404 293 I CB -1.842 36.285 38.000 0.212 0.000 1.071 293 I HN 0.918 nan 8.210 nan 0.000 0.419 294 S N 0.718 116.422 115.700 0.007 0.000 2.383 294 S HA -0.069 4.401 4.470 -0.001 0.000 0.227 294 S C 2.190 176.734 174.600 -0.092 0.000 1.026 294 S CA 1.010 59.158 58.200 -0.087 0.000 0.981 294 S CB -1.200 62.039 63.200 0.066 0.000 0.818 294 S HN 0.422 nan 8.310 nan 0.000 0.472 295 G N 1.921 110.710 108.800 -0.017 0.000 2.404 295 G HA2 0.027 3.987 3.960 -0.001 0.000 0.215 295 G HA3 0.027 3.987 3.960 -0.001 0.000 0.215 295 G C 1.443 176.293 174.900 -0.083 0.000 1.174 295 G CA 0.660 45.729 45.100 -0.052 0.000 0.780 295 G HN 0.469 nan 8.290 nan 0.000 0.537 296 L N 0.023 121.202 121.223 -0.072 0.000 2.079 296 L HA -0.082 4.258 4.340 -0.001 0.000 0.210 296 L C 2.943 179.846 176.870 0.055 0.000 1.081 296 L CA 1.409 56.200 54.840 -0.082 0.000 0.752 296 L CB -0.275 41.673 42.059 -0.185 0.000 0.896 296 L HN 0.255 nan 8.230 nan 0.000 0.433 297 R N 0.413 120.847 120.500 -0.111 0.000 2.062 297 R HA -0.188 4.152 4.340 -0.001 0.000 0.229 297 R C 2.481 178.694 176.300 -0.145 0.000 1.128 297 R CA 1.461 57.408 56.100 -0.256 0.000 0.960 297 R CB -0.203 29.565 30.300 -0.888 0.000 0.855 297 R HN 0.156 nan 8.270 nan 0.000 0.432 298 R N 0.205 120.612 120.500 -0.156 0.000 2.096 298 R HA -0.166 4.173 4.340 -0.001 0.000 0.235 298 R C 2.309 178.555 176.300 -0.091 0.000 1.127 298 R CA 1.751 57.779 56.100 -0.120 0.000 0.968 298 R CB -0.180 30.048 30.300 -0.120 0.000 0.861 298 R HN 0.077 nan 8.270 nan 0.000 0.440 299 R N -0.490 119.958 120.500 -0.086 0.000 2.152 299 R HA -0.059 4.281 4.340 -0.001 0.000 0.232 299 R C 0.938 177.226 176.300 -0.020 0.000 1.117 299 R CA 1.860 57.907 56.100 -0.089 0.000 0.981 299 R CB -0.091 30.195 30.300 -0.024 0.000 0.870 299 R HN 0.477 nan 8.270 nan 0.000 0.451 300 G N -3.024 105.793 108.800 0.028 0.000 2.173 300 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.142 300 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.142 300 G C -0.610 174.272 174.900 -0.031 0.000 1.019 300 G CA -0.243 44.846 45.100 -0.018 0.000 0.699 300 G HN 0.194 nan 8.290 nan 0.000 0.495 301 Y N 2.140 122.457 120.300 0.029 0.000 2.336 301 Y HA 0.481 5.031 4.550 -0.000 0.000 0.331 301 Y C 1.473 177.499 175.900 0.210 0.000 1.211 301 Y CA 0.797 58.946 58.100 0.081 0.000 1.346 301 Y CB 1.083 39.601 38.460 0.097 0.000 1.271 301 Y HN 0.219 nan 8.280 nan 0.000 0.538 302 T N -0.836 113.846 114.554 0.212 0.000 2.799 302 T HA 0.509 4.859 4.350 -0.001 0.000 0.286 302 T C 1.079 175.760 174.700 -0.031 0.000 0.973 302 T CA -0.436 61.728 62.100 0.108 0.000 1.035 302 T CB 1.552 70.403 68.868 -0.029 0.000 0.932 302 T HN 0.799 nan 8.240 nan 0.000 0.469 303 A N 3.037 125.559 122.820 -0.496 0.000 1.997 303 A HA 0.007 4.326 4.320 -0.001 0.000 0.221 303 A C 2.549 179.914 177.584 -0.365 0.000 1.172 303 A CA 2.020 53.548 52.037 -0.849 0.000 0.645 303 A CB -1.348 16.772 19.000 -1.468 0.000 0.813 303 A HN 1.275 nan 8.150 nan 0.000 0.454 304 A N 0.133 122.792 122.820 -0.269 0.000 1.930 304 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 304 A C 2.485 180.034 177.584 -0.059 0.000 1.175 304 A CA 2.181 54.120 52.037 -0.163 0.000 0.627 304 A CB -0.878 18.034 19.000 -0.146 0.000 0.815 304 A HN 1.028 nan 8.150 nan 0.000 0.443 305 S N -0.125 115.569 115.700 -0.011 0.000 2.406 305 S HA -0.037 4.433 4.470 -0.001 0.000 0.228 305 S C 1.810 176.499 174.600 0.148 0.000 1.020 305 S CA 1.213 59.453 58.200 0.065 0.000 0.965 305 S CB -0.646 62.598 63.200 0.072 0.000 0.798 305 S HN 0.467 nan 8.310 nan 0.000 0.488 306 I N 1.561 122.217 120.570 0.143 0.000 2.286 306 I HA -0.087 4.083 4.170 -0.001 0.000 0.245 306 I C 3.024 179.265 176.117 0.206 0.000 1.104 306 I CA 1.006 62.420 61.300 0.190 0.000 1.397 306 I CB -0.233 37.863 38.000 0.161 0.000 1.072 306 I HN 0.219 nan 8.210 nan 0.000 0.417 307 R N 0.379 120.939 120.500 0.100 0.000 2.092 307 R HA -0.199 4.141 4.340 -0.001 0.000 0.231 307 R C 2.198 178.552 176.300 0.090 0.000 1.119 307 R CA 1.372 57.527 56.100 0.092 0.000 0.970 307 R CB -0.249 30.060 30.300 0.016 0.000 0.864 307 R HN 0.257 nan 8.270 nan 0.000 0.440 308 E N 0.732 120.987 120.200 0.091 0.000 2.106 308 E HA -0.183 4.166 4.350 -0.001 0.000 0.192 308 E C 1.543 178.229 176.600 0.143 0.000 0.984 308 E CA 0.991 57.442 56.400 0.086 0.000 0.806 308 E CB -0.297 29.448 29.700 0.074 0.000 0.750 308 E HN 0.207 nan 8.360 nan 0.000 0.458 309 F N 0.618 120.590 119.950 0.036 0.000 2.069 309 F HA -0.246 4.280 4.527 -0.001 0.000 0.298 309 F C 2.140 177.961 175.800 0.035 0.000 1.113 309 F CA 1.721 59.748 58.000 0.045 0.000 1.214 309 F CB -0.903 38.133 39.000 0.060 0.000 0.978 309 F HN 0.168 nan 8.300 nan 0.000 0.474 310 C N 0.580 119.859 119.300 -0.035 0.000 2.425 310 C HA -0.157 4.302 4.460 -0.001 0.000 0.277 310 C C 2.761 177.668 174.990 -0.137 0.000 1.280 310 C CA 1.319 60.239 59.018 -0.163 0.000 1.744 310 C CB -1.266 26.460 27.740 -0.023 0.000 1.989 310 C HN 0.503 nan 8.230 nan 0.000 0.491 311 K N 0.431 120.798 120.400 -0.055 0.000 2.097 311 K HA -0.099 4.220 4.320 -0.001 0.000 0.205 311 K C 2.334 178.896 176.600 -0.062 0.000 1.050 311 K CA 1.183 57.443 56.287 -0.045 0.000 0.938 311 K CB -0.073 32.421 32.500 -0.009 0.000 0.718 311 K HN 0.473 nan 8.250 nan 0.000 0.442 312 R N 0.452 120.912 120.500 -0.068 0.000 2.073 312 R HA -0.037 4.303 4.340 -0.001 0.000 0.229 312 R C 2.397 178.629 176.300 -0.114 0.000 1.120 312 R CA 1.554 57.618 56.100 -0.060 0.000 0.967 312 R CB -0.372 29.928 30.300 -0.000 0.000 0.862 312 R HN 0.376 nan 8.270 nan 0.000 0.436 313 I N -1.773 118.649 120.570 -0.245 0.000 2.830 313 I HA 0.164 4.333 4.170 -0.001 0.000 0.263 313 I C 0.932 176.968 176.117 -0.135 0.000 1.230 313 I CA 0.692 61.847 61.300 -0.242 0.000 1.480 313 I CB -0.574 37.150 38.000 -0.460 0.000 1.095 313 I HN 0.175 nan 8.210 nan 0.000 0.455 314 G N 0.863 109.592 108.800 -0.117 0.000 2.828 314 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.463 314 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.463 314 G C -0.709 174.159 174.900 -0.052 0.000 1.394 314 G CA -0.356 44.705 45.100 -0.064 0.000 0.862 314 G HN 0.353 nan 8.290 nan 0.000 0.540 315 V N 1.919 121.832 119.914 -0.002 0.000 2.462 315 V HA 0.773 4.892 4.120 -0.001 0.000 0.288 315 V C 0.638 176.895 176.094 0.271 0.000 1.020 315 V CA 0.520 62.847 62.300 0.045 0.000 0.857 315 V CB 1.081 32.821 31.823 -0.139 0.000 1.013 315 V HN 1.756 nan 8.190 nan 0.000 0.431 316 T N 1.335 116.060 114.554 0.284 0.000 2.626 316 T HA 0.539 4.889 4.350 -0.001 0.000 0.279 316 T C 0.232 174.994 174.700 0.103 0.000 0.983 316 T CA -0.672 61.535 62.100 0.179 0.000 1.059 316 T CB 2.306 71.199 68.868 0.043 0.000 1.396 316 T HN 0.324 nan 8.240 nan 0.000 0.519 317 K N -0.051 120.265 120.400 -0.141 0.000 2.387 317 K HA 0.233 4.552 4.320 -0.001 0.000 0.203 317 K C 0.189 176.758 176.600 -0.051 0.000 1.030 317 K CA -0.107 56.117 56.287 -0.105 0.000 1.099 317 K CB 0.576 32.929 32.500 -0.246 0.000 0.863 317 K HN 0.479 nan 8.250 nan 0.000 0.529 318 Q N 1.628 121.409 119.800 -0.032 0.000 2.267 318 Q HA 0.094 4.433 4.340 -0.001 0.000 0.255 318 Q C -0.718 175.283 176.000 0.002 0.000 0.923 318 Q CA -0.327 55.464 55.803 -0.020 0.000 0.925 318 Q CB 1.017 29.744 28.738 -0.018 0.000 1.195 318 Q HN 0.046 nan 8.270 nan 0.000 0.417 319 D N 2.447 122.843 120.400 -0.007 0.000 2.399 319 D HA 0.080 4.719 4.640 -0.001 0.000 0.241 319 D C -0.309 175.992 176.300 0.001 0.000 1.133 319 D CA 0.476 54.473 54.000 -0.004 0.000 0.890 319 D CB 0.627 41.415 40.800 -0.020 0.000 1.201 319 D HN 0.576 nan 8.370 nan 0.000 0.432 320 N N -1.768 116.937 118.700 0.008 0.000 2.610 320 N HA 0.535 5.275 4.740 -0.001 0.000 0.264 320 N C -1.618 173.898 175.510 0.011 0.000 1.348 320 N CA -0.819 52.237 53.050 0.011 0.000 0.819 320 N CB 1.623 40.123 38.487 0.020 0.000 1.521 320 N HN 0.010 nan 8.380 nan 0.000 0.497 321 T N 0.896 115.458 114.554 0.014 0.000 3.089 321 T HA 0.349 4.699 4.350 -0.001 0.000 0.340 321 T C -0.656 174.069 174.700 0.043 0.000 1.008 321 T CA -0.312 61.798 62.100 0.017 0.000 1.096 321 T CB -0.095 68.766 68.868 -0.013 0.000 1.024 321 T HN 0.428 nan 8.240 nan 0.000 0.477 322 I N 2.807 123.427 120.570 0.082 0.000 2.692 322 I HA 0.143 4.313 4.170 -0.001 0.000 0.284 322 I C 1.022 177.224 176.117 0.141 0.000 1.159 322 I CA -0.005 61.375 61.300 0.133 0.000 1.423 322 I CB 0.391 38.527 38.000 0.226 0.000 1.380 322 I HN 0.528 nan 8.210 nan 0.000 0.580 323 E N 4.727 125.014 120.200 0.144 0.000 2.349 323 E HA 0.133 4.483 4.350 -0.001 0.000 0.265 323 E C 0.663 177.361 176.600 0.163 0.000 1.064 323 E CA -0.658 55.829 56.400 0.144 0.000 0.886 323 E CB 0.668 30.445 29.700 0.128 0.000 1.036 323 E HN 0.451 nan 8.360 nan 0.000 0.413 324 M N 1.134 120.835 119.600 0.169 0.000 2.213 324 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 324 M C 2.026 178.384 176.300 0.097 0.000 1.062 324 M CA 1.343 56.717 55.300 0.123 0.000 1.105 324 M CB -1.283 31.400 32.600 0.138 0.000 1.385 324 M HN 0.746 nan 8.290 nan 0.000 0.417 325 A N -0.731 122.156 122.820 0.112 0.000 1.948 325 A HA -0.215 4.105 4.320 -0.001 0.000 0.220 325 A C 2.511 180.159 177.584 0.106 0.000 1.177 325 A CA 2.432 54.527 52.037 0.097 0.000 0.636 325 A CB -0.975 18.083 19.000 0.096 0.000 0.815 325 A HN 0.506 nan 8.150 nan 0.000 0.449 326 S N -0.976 114.811 115.700 0.144 0.000 2.355 326 S HA -0.061 4.409 4.470 -0.001 0.000 0.222 326 S C 1.934 176.650 174.600 0.193 0.000 1.031 326 S CA 1.234 59.557 58.200 0.206 0.000 0.993 326 S CB -0.405 62.980 63.200 0.310 0.000 0.859 326 S HN 0.528 nan 8.310 nan 0.000 0.453 327 L N 1.121 122.356 121.223 0.021 0.000 2.017 327 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 327 L C 2.496 179.368 176.870 0.004 0.000 1.073 327 L CA 1.839 56.499 54.840 -0.300 0.000 0.745 327 L CB -0.537 41.201 42.059 -0.536 0.000 0.894 327 L HN 0.463 nan 8.230 nan 0.000 0.432 328 E N -0.900 119.332 120.200 0.054 0.000 2.085 328 E HA -0.263 4.087 4.350 -0.001 0.000 0.194 328 E C 2.183 178.808 176.600 0.041 0.000 0.994 328 E CA 1.456 57.897 56.400 0.068 0.000 0.801 328 E CB -0.183 29.555 29.700 0.065 0.000 0.743 328 E HN 0.406 nan 8.360 nan 0.000 0.453 329 S N 0.318 116.056 115.700 0.063 0.000 2.370 329 S HA -0.203 4.266 4.470 -0.001 0.000 0.226 329 S C 2.184 176.810 174.600 0.044 0.000 1.033 329 S CA 1.361 59.596 58.200 0.059 0.000 1.011 329 S CB -0.394 62.856 63.200 0.082 0.000 0.852 329 S HN 0.404 nan 8.310 nan 0.000 0.457 330 C N 0.722 120.066 119.300 0.073 0.000 2.436 330 C HA -0.013 4.446 4.460 -0.001 0.000 0.277 330 C C 2.462 177.446 174.990 -0.010 0.000 1.241 330 C CA 0.842 59.902 59.018 0.071 0.000 1.721 330 C CB -1.461 26.370 27.740 0.152 0.000 2.043 330 C HN 0.725 nan 8.230 nan 0.000 0.472 331 I N 1.023 121.559 120.570 -0.056 0.000 2.286 331 I HA -0.135 4.034 4.170 -0.001 0.000 0.248 331 I C 2.598 178.524 176.117 -0.319 0.000 1.115 331 I CA 1.518 62.667 61.300 -0.251 0.000 1.392 331 I CB -0.599 37.017 38.000 -0.641 0.000 1.065 331 I HN 0.215 nan 8.210 nan 0.000 0.418 332 R N 0.076 120.435 120.500 -0.234 0.000 2.073 332 R HA -0.222 4.118 4.340 -0.001 0.000 0.234 332 R C 2.304 178.488 176.300 -0.193 0.000 1.134 332 R CA 1.801 57.754 56.100 -0.244 0.000 0.952 332 R CB -0.512 29.777 30.300 -0.018 0.000 0.850 332 R HN 0.502 nan 8.270 nan 0.000 0.433 333 E N 0.501 120.647 120.200 -0.090 0.000 2.130 333 E HA -0.249 4.100 4.350 -0.001 0.000 0.196 333 E C 1.609 178.161 176.600 -0.080 0.000 0.998 333 E CA 1.544 57.915 56.400 -0.048 0.000 0.806 333 E CB 0.008 29.701 29.700 -0.011 0.000 0.738 333 E HN 0.230 nan 8.360 nan 0.000 0.459 334 D N -0.080 120.241 120.400 -0.131 0.000 2.084 334 D HA -0.129 4.510 4.640 -0.001 0.000 0.199 334 D C 1.956 178.150 176.300 -0.175 0.000 0.981 334 D CA 0.740 54.660 54.000 -0.133 0.000 0.841 334 D CB -0.023 40.695 40.800 -0.138 0.000 0.997 334 D HN 0.171 nan 8.370 nan 0.000 0.454 335 L N 1.418 122.432 121.223 -0.349 0.000 2.191 335 L HA -0.088 4.251 4.340 -0.001 0.000 0.212 335 L C 2.098 178.810 176.870 -0.264 0.000 1.103 335 L CA 1.081 55.651 54.840 -0.449 0.000 0.769 335 L CB -1.628 39.863 42.059 -0.947 0.000 0.908 335 L HN 0.215 nan 8.230 nan 0.000 0.438 336 N N -0.416 118.161 118.700 -0.205 0.000 2.166 336 N HA -0.195 4.545 4.740 -0.001 0.000 0.186 336 N C 1.784 177.446 175.510 0.255 0.000 1.019 336 N CA 1.415 54.558 53.050 0.155 0.000 0.856 336 N CB 0.104 38.671 38.487 0.134 0.000 0.993 336 N HN 0.344 nan 8.380 nan 0.000 0.426 337 E N -0.811 119.481 120.200 0.153 0.000 2.140 337 E HA 0.021 4.371 4.350 -0.001 0.000 0.191 337 E C 0.906 177.600 176.600 0.156 0.000 0.973 337 E CA 0.466 56.960 56.400 0.158 0.000 0.829 337 E CB 0.030 29.747 29.700 0.027 0.000 0.781 337 E HN 0.505 nan 8.360 nan 0.000 0.466 338 N N 0.602 119.361 118.700 0.099 0.000 2.409 338 N HA 0.031 4.770 4.740 -0.001 0.000 0.174 338 N C 0.338 175.925 175.510 0.128 0.000 1.037 338 N CA 0.209 53.302 53.050 0.071 0.000 0.898 338 N CB 0.302 38.784 38.487 -0.007 0.000 1.010 338 N HN -0.043 nan 8.380 nan 0.000 0.445 339 A N 2.946 125.863 122.820 0.162 0.000 2.366 339 A HA 0.378 4.698 4.320 -0.001 0.000 0.272 339 A C -2.275 175.447 177.584 0.230 0.000 1.135 339 A CA -1.148 50.994 52.037 0.174 0.000 0.804 339 A CB 0.242 19.374 19.000 0.220 0.000 1.064 339 A HN -0.032 nan 8.150 nan 0.000 0.499 340 P HA 0.323 nan 4.420 nan 0.000 0.280 340 P C -0.618 176.840 177.300 0.264 0.000 1.244 340 P CA -0.366 62.888 63.100 0.256 0.000 0.784 340 P CB 0.970 32.853 31.700 0.305 0.000 0.913 341 R N 1.820 122.391 120.500 0.119 0.000 2.679 341 R HA 0.670 5.010 4.340 -0.001 0.000 0.269 341 R C 0.414 176.741 176.300 0.045 0.000 1.076 341 R CA 0.162 56.301 56.100 0.065 0.000 1.160 341 R CB 0.116 30.393 30.300 -0.039 0.000 1.054 341 R HN 0.633 nan 8.270 nan 0.000 0.507 342 A N 1.159 123.961 122.820 -0.030 0.000 2.581 342 A HA 0.672 4.992 4.320 -0.001 0.000 0.290 342 A C -1.566 175.805 177.584 -0.356 0.000 1.119 342 A CA -0.821 51.094 52.037 -0.204 0.000 0.670 342 A CB 1.398 20.231 19.000 -0.279 0.000 1.280 342 A HN 0.438 nan 8.150 nan 0.000 0.425 343 M N 0.400 119.697 119.600 -0.505 0.000 2.311 343 M HA 0.710 5.190 4.480 -0.001 0.000 0.325 343 M C -0.213 175.662 176.300 -0.708 0.000 1.061 343 M CA -0.313 54.664 55.300 -0.538 0.000 0.957 343 M CB 1.014 33.301 32.600 -0.522 0.000 1.646 343 M HN 1.258 nan 8.290 nan 0.000 0.434 344 A N 2.688 125.089 122.820 -0.698 0.000 2.587 344 A HA 0.878 5.198 4.320 -0.001 0.000 0.293 344 A C -1.449 175.967 177.584 -0.279 0.000 1.087 344 A CA -0.664 50.948 52.037 -0.710 0.000 0.692 344 A CB 1.951 20.128 19.000 -1.373 0.000 1.291 344 A HN 0.539 nan 8.150 nan 0.000 0.407 345 V N 2.562 122.363 119.914 -0.188 0.000 2.482 345 V HA 0.246 4.366 4.120 -0.001 0.000 0.295 345 V C 0.302 176.332 176.094 -0.107 0.000 1.026 345 V CA -0.131 62.153 62.300 -0.026 0.000 0.856 345 V CB 1.126 32.959 31.823 0.017 0.000 1.001 345 V HN 0.854 nan 8.190 nan 0.000 0.424 346 I N 1.928 122.466 120.570 -0.053 0.000 2.233 346 I HA 0.028 4.198 4.170 -0.001 0.000 0.243 346 I C 0.870 176.941 176.117 -0.077 0.000 1.093 346 I CA 1.406 62.662 61.300 -0.074 0.000 1.380 346 I CB 0.111 38.108 38.000 -0.004 0.000 1.067 346 I HN 0.527 nan 8.210 nan 0.000 0.413 347 D N 2.109 122.494 120.400 -0.024 0.000 2.414 347 D HA 0.327 4.966 4.640 -0.001 0.000 0.232 347 D C -2.516 173.783 176.300 -0.002 0.000 1.070 347 D CA -1.338 52.651 54.000 -0.018 0.000 0.839 347 D CB 2.026 42.837 40.800 0.019 0.000 1.079 347 D HN 0.028 nan 8.370 nan 0.000 0.521 348 P HA 0.288 nan 4.420 nan 0.000 0.305 348 P C -0.914 176.494 177.300 0.179 0.000 1.378 348 P CA -0.729 62.381 63.100 0.017 0.000 0.926 348 P CB 2.649 34.179 31.700 -0.283 0.000 1.051 349 V N 3.753 123.844 119.914 0.295 0.000 2.540 349 V HA 0.323 4.443 4.120 -0.001 0.000 0.302 349 V C 0.158 176.405 176.094 0.255 0.000 1.035 349 V CA -1.036 61.418 62.300 0.257 0.000 0.873 349 V CB 1.731 33.631 31.823 0.128 0.000 0.992 349 V HN 0.500 nan 8.190 nan 0.000 0.428 350 K N 5.528 125.982 120.400 0.089 0.000 2.401 350 K HA 0.384 4.704 4.320 -0.001 0.000 0.278 350 K C -0.900 175.468 176.600 -0.387 0.000 1.018 350 K CA -0.021 56.051 56.287 -0.359 0.000 0.981 350 K CB 0.667 32.831 32.500 -0.560 0.000 0.933 350 K HN 0.682 nan 8.250 nan 0.000 0.477 351 L N 5.906 126.861 121.223 -0.446 0.000 2.381 351 L HA 0.490 4.829 4.340 -0.001 0.000 0.274 351 L C -1.321 175.261 176.870 -0.481 0.000 0.988 351 L CA -0.918 53.659 54.840 -0.439 0.000 0.824 351 L CB 1.726 43.595 42.059 -0.316 0.000 1.263 351 L HN 0.559 nan 8.230 nan 0.000 0.410 352 V N 4.839 124.448 119.914 -0.508 0.000 2.409 352 V HA 0.524 4.644 4.120 -0.001 0.000 0.291 352 V C -0.214 175.744 176.094 -0.226 0.000 1.020 352 V CA -0.397 61.671 62.300 -0.386 0.000 0.848 352 V CB 1.473 33.083 31.823 -0.357 0.000 0.990 352 V HN 0.704 nan 8.190 nan 0.000 0.430 353 I N 5.136 125.579 120.570 -0.211 0.000 2.256 353 I HA 0.328 4.497 4.170 -0.001 0.000 0.294 353 I C 1.214 177.322 176.117 -0.015 0.000 1.127 353 I CA -0.003 61.235 61.300 -0.103 0.000 1.247 353 I CB 0.563 38.454 38.000 -0.182 0.000 1.460 353 I HN 0.740 nan 8.210 nan 0.000 0.511 354 E N 3.233 123.464 120.200 0.050 0.000 2.401 354 E HA -0.183 4.167 4.350 -0.001 0.000 0.199 354 E C 1.645 178.291 176.600 0.077 0.000 1.023 354 E CA 0.459 56.899 56.400 0.067 0.000 0.859 354 E CB -0.003 29.749 29.700 0.088 0.000 0.780 354 E HN 0.619 nan 8.360 nan 0.000 0.523 355 N N 0.078 118.855 118.700 0.128 0.000 2.463 355 N HA -0.103 4.637 4.740 -0.001 0.000 0.181 355 N C -0.338 175.350 175.510 0.298 0.000 1.078 355 N CA 0.071 53.241 53.050 0.200 0.000 0.902 355 N CB 0.292 38.936 38.487 0.262 0.000 0.970 355 N HN 0.097 nan 8.380 nan 0.000 0.451 356 Y N 2.695 122.980 120.300 -0.026 0.000 2.316 356 Y HA 0.117 4.666 4.550 -0.001 0.000 0.331 356 Y C -0.092 175.743 175.900 -0.108 0.000 1.083 356 Y CA -0.493 57.462 58.100 -0.241 0.000 1.206 356 Y CB 0.566 38.683 38.460 -0.571 0.000 1.195 356 Y HN 0.082 nan 8.280 nan 0.000 0.497 357 Q N 5.300 124.829 119.800 -0.451 0.000 2.342 357 Q HA 0.755 5.095 4.340 -0.001 0.000 0.267 357 Q C -0.401 175.353 176.000 -0.410 0.000 1.038 357 Q CA -0.183 55.451 55.803 -0.282 0.000 0.832 357 Q CB 1.935 30.575 28.738 -0.162 0.000 1.323 357 Q HN 1.026 nan 8.270 nan 0.000 0.448 358 G N 2.193 110.897 108.800 -0.159 0.000 2.422 358 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.607 358 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.607 358 G C -0.652 174.282 174.900 0.056 0.000 1.270 358 G CA -0.279 44.774 45.100 -0.078 0.000 0.992 358 G HN 0.499 nan 8.290 nan 0.000 0.499 359 E N 0.976 121.231 120.200 0.092 0.000 2.496 359 E HA 0.458 4.808 4.350 -0.001 0.000 0.202 359 E C 1.107 177.825 176.600 0.197 0.000 1.021 359 E CA 1.021 57.488 56.400 0.111 0.000 1.015 359 E CB 0.284 30.020 29.700 0.060 0.000 1.102 359 E HN 2.086 nan 8.360 nan 0.000 0.452 360 G N 1.946 110.956 108.800 0.350 0.000 2.549 360 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.404 360 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.404 360 G C -0.441 174.680 174.900 0.367 0.000 1.292 360 G CA -0.199 45.130 45.100 0.382 0.000 0.935 360 G HN 0.232 nan 8.290 nan 0.000 0.512 361 E N -2.625 117.773 120.200 0.331 0.000 2.315 361 E HA 0.747 5.097 4.350 -0.001 0.000 0.256 361 E C -1.129 175.589 176.600 0.196 0.000 1.148 361 E CA -1.115 55.441 56.400 0.259 0.000 0.898 361 E CB 1.114 31.004 29.700 0.316 0.000 1.708 361 E HN 0.886 nan 8.360 nan 0.000 0.473 362 M N 1.633 121.327 119.600 0.156 0.000 2.464 362 M HA 0.430 4.910 4.480 -0.001 0.000 0.308 362 M C -1.560 174.807 176.300 0.112 0.000 1.127 362 M CA -0.802 54.566 55.300 0.114 0.000 0.913 362 M CB 2.272 34.911 32.600 0.065 0.000 1.689 362 M HN 0.540 nan 8.290 nan 0.000 0.445 363 V N 0.287 120.271 119.914 0.117 0.000 2.604 363 V HA 0.717 4.837 4.120 -0.001 0.000 0.305 363 V C -0.312 175.811 176.094 0.048 0.000 1.043 363 V CA -0.558 61.789 62.300 0.079 0.000 0.888 363 V CB 1.413 33.321 31.823 0.141 0.000 0.995 363 V HN 0.793 nan 8.190 nan 0.000 0.429 364 T N 7.238 121.803 114.554 0.019 0.000 2.814 364 T HA 0.511 4.860 4.350 -0.001 0.000 0.297 364 T C -0.120 174.586 174.700 0.010 0.000 0.956 364 T CA 0.103 62.210 62.100 0.012 0.000 1.123 364 T CB 0.221 69.092 68.868 0.006 0.000 0.902 364 T HN 0.684 nan 8.240 nan 0.000 0.528 365 M N 4.711 124.313 119.600 0.004 0.000 2.393 365 M HA 0.376 4.856 4.480 -0.001 0.000 0.316 365 M C -2.651 173.652 176.300 0.005 0.000 1.087 365 M CA -2.315 52.983 55.300 -0.004 0.000 0.937 365 M CB 2.400 34.977 32.600 -0.038 0.000 1.668 365 M HN 0.180 nan 8.290 nan 0.000 0.438 366 P HA 0.241 nan 4.420 nan 0.000 0.279 366 P C -0.119 177.207 177.300 0.044 0.000 1.239 366 P CA -0.295 62.826 63.100 0.035 0.000 0.789 366 P CB 0.720 32.446 31.700 0.043 0.000 0.933 367 N N 0.433 119.178 118.700 0.076 0.000 2.446 367 N HA -0.074 4.666 4.740 -0.001 0.000 0.179 367 N C -0.164 175.439 175.510 0.155 0.000 1.054 367 N CA 0.960 54.073 53.050 0.105 0.000 0.905 367 N CB -0.135 38.423 38.487 0.120 0.000 0.973 367 N HN 0.583 nan 8.380 nan 0.000 0.448 368 H N -0.982 118.121 119.070 0.055 0.000 3.243 368 H HA 0.178 4.735 4.556 0.001 0.000 0.330 368 H C -2.088 173.266 175.328 0.043 0.000 1.269 368 H CA -1.101 54.982 56.048 0.058 0.000 1.632 368 H CB 1.588 31.387 29.762 0.061 0.000 1.982 368 H HN -0.157 nan 8.280 nan 0.000 0.536 369 P HA -0.248 nan 4.420 nan 0.000 0.214 369 P C 0.397 177.804 177.300 0.178 0.000 1.164 369 P CA 1.780 64.953 63.100 0.120 0.000 0.942 369 P CB 0.224 31.955 31.700 0.053 0.000 0.791 370 N N -1.207 117.655 118.700 0.271 0.000 2.501 370 N HA 0.023 4.763 4.740 -0.001 0.000 0.195 370 N C -0.136 175.433 175.510 0.097 0.000 1.213 370 N CA 0.700 53.857 53.050 0.178 0.000 0.864 370 N CB -0.226 38.360 38.487 0.164 0.000 0.999 370 N HN 0.221 nan 8.380 nan 0.000 0.454 371 K N 0.165 120.625 120.400 0.099 0.000 2.865 371 K HA 0.131 4.450 4.320 -0.001 0.000 0.215 371 K C -2.066 174.543 176.600 0.015 0.000 1.120 371 K CA -1.199 55.051 56.287 -0.061 0.000 1.037 371 K CB 2.172 34.440 32.500 -0.387 0.000 1.233 371 K HN -0.090 nan 8.250 nan 0.000 0.577 372 P HA -0.283 nan 4.420 nan 0.000 0.217 372 P C 0.922 178.237 177.300 0.025 0.000 1.148 372 P CA 1.425 64.546 63.100 0.035 0.000 0.828 372 P CB 0.333 32.047 31.700 0.024 0.000 0.783 373 E N 0.233 120.436 120.200 0.005 0.000 2.331 373 E HA -0.171 4.178 4.350 -0.001 0.000 0.199 373 E C 1.746 178.354 176.600 0.014 0.000 1.008 373 E CA 1.013 57.414 56.400 0.003 0.000 0.843 373 E CB -1.032 28.660 29.700 -0.014 0.000 0.761 373 E HN 0.348 nan 8.360 nan 0.000 0.507 374 M N 0.761 120.377 119.600 0.027 0.000 2.619 374 M HA 0.102 4.582 4.480 -0.001 0.000 0.251 374 M C 0.974 177.313 176.300 0.065 0.000 1.106 374 M CA 0.876 56.209 55.300 0.054 0.000 1.086 374 M CB -0.068 32.591 32.600 0.099 0.000 1.465 374 M HN 0.294 nan 8.290 nan 0.000 0.506 375 G N 0.175 109.007 108.800 0.054 0.000 2.728 375 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.294 375 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.294 375 G C -0.810 174.122 174.900 0.054 0.000 1.342 375 G CA -0.692 44.437 45.100 0.049 0.000 0.866 375 G HN 0.328 nan 8.290 nan 0.000 0.534 376 S N -0.745 114.981 115.700 0.042 0.000 2.632 376 S HA 0.893 5.362 4.470 -0.001 0.000 0.289 376 S C 0.136 174.754 174.600 0.030 0.000 1.115 376 S CA -0.187 58.034 58.200 0.035 0.000 0.889 376 S CB 1.895 65.112 63.200 0.027 0.000 1.116 376 S HN 1.065 nan 8.310 nan 0.000 0.486 377 R N 0.443 120.955 120.500 0.019 0.000 2.837 377 R HA 0.698 5.037 4.340 -0.001 0.000 0.271 377 R C -1.635 174.666 176.300 0.002 0.000 0.993 377 R CA -0.978 55.128 56.100 0.011 0.000 0.931 377 R CB 0.944 31.246 30.300 0.003 0.000 1.206 377 R HN 0.370 nan 8.270 nan 0.000 0.474 378 Q N 1.401 121.202 119.800 0.002 0.000 2.340 378 Q HA 0.382 4.722 4.340 -0.001 0.000 0.259 378 Q C -1.386 174.606 176.000 -0.013 0.000 0.964 378 Q CA -0.542 55.264 55.803 0.005 0.000 0.900 378 Q CB 1.940 30.686 28.738 0.014 0.000 1.228 378 Q HN 0.526 nan 8.270 nan 0.000 0.449 379 V N 6.819 126.727 119.914 -0.011 0.000 2.513 379 V HA 0.605 4.724 4.120 -0.001 0.000 0.299 379 V C -2.217 173.882 176.094 0.008 0.000 1.035 379 V CA -1.951 60.323 62.300 -0.043 0.000 0.889 379 V CB 1.810 33.570 31.823 -0.105 0.000 0.988 379 V HN 0.790 nan 8.190 nan 0.000 0.440 380 P HA 0.286 nan 4.420 nan 0.000 0.280 380 P C -1.128 176.238 177.300 0.110 0.000 1.244 380 P CA -0.092 62.912 63.100 -0.160 0.000 0.784 380 P CB 0.994 32.227 31.700 -0.778 0.000 0.913 381 F N 2.538 122.515 119.950 0.045 0.000 2.556 381 F HA 0.614 5.141 4.527 -0.000 0.000 0.327 381 F C -0.277 175.416 175.800 -0.178 0.000 1.059 381 F CA 0.194 58.214 58.000 0.033 0.000 0.953 381 F CB 2.025 41.033 39.000 0.013 0.000 1.227 381 F HN 0.572 nan 8.300 nan 0.000 0.478 382 S N 1.371 116.207 115.700 -1.441 0.000 2.655 382 S HA 0.423 4.893 4.470 -0.001 0.000 0.266 382 S C -0.116 173.539 174.600 -1.575 0.000 1.149 382 S CA -0.348 57.140 58.200 -1.187 0.000 0.818 382 S CB 0.812 63.777 63.200 -0.392 0.000 1.130 382 S HN 1.107 nan 8.310 nan 0.000 0.476 383 G N -0.659 107.529 108.800 -1.019 0.000 2.985 383 G HA2 0.318 4.278 3.960 -0.001 0.000 0.209 383 G HA3 0.318 4.278 3.960 -0.001 0.000 0.209 383 G C -0.005 174.596 174.900 -0.499 0.000 1.165 383 G CA -0.085 44.610 45.100 -0.675 0.000 0.776 383 G HN 0.659 nan 8.290 nan 0.000 0.541 384 E N 0.776 120.663 120.200 -0.521 0.000 3.108 384 E HA 0.263 4.612 4.350 -0.001 0.000 0.228 384 E C 0.160 176.407 176.600 -0.588 0.000 1.176 384 E CA -0.364 55.732 56.400 -0.506 0.000 0.881 384 E CB 0.913 30.356 29.700 -0.427 0.000 1.354 384 E HN 0.500 nan 8.360 nan 0.000 0.400 385 I N -2.509 117.712 120.570 -0.581 0.000 3.842 385 I HA 0.643 4.812 4.170 -0.001 0.000 0.273 385 I C -0.536 175.292 176.117 -0.483 0.000 1.348 385 I CA -0.753 60.280 61.300 -0.444 0.000 0.948 385 I CB 1.096 38.889 38.000 -0.345 0.000 1.534 385 I HN 0.152 nan 8.210 nan 0.000 0.656 386 W N 1.263 122.495 121.300 -0.114 0.000 2.915 386 W HA 0.721 5.380 4.660 -0.001 0.000 0.337 386 W C -0.782 175.716 176.519 -0.034 0.000 1.102 386 W CA -0.553 56.727 57.345 -0.108 0.000 1.224 386 W CB 1.941 31.332 29.460 -0.114 0.000 1.416 386 W HN 0.488 nan 8.180 nan 0.000 0.503 387 I N -1.127 119.585 120.570 0.237 0.000 2.969 387 I HA 0.569 4.739 4.170 -0.001 0.000 0.307 387 I C -1.059 175.097 176.117 0.065 0.000 1.149 387 I CA -1.131 60.220 61.300 0.086 0.000 1.008 387 I CB 2.121 40.141 38.000 0.033 0.000 1.232 387 I HN 0.198 nan 8.210 nan 0.000 0.435 388 D N 2.232 122.608 120.400 -0.040 0.000 2.348 388 D HA 0.265 4.905 4.640 -0.001 0.000 0.253 388 D C 1.092 177.436 176.300 0.073 0.000 1.161 388 D CA -0.101 53.907 54.000 0.014 0.000 0.876 388 D CB 1.290 42.089 40.800 -0.002 0.000 1.160 388 D HN 0.534 nan 8.370 nan 0.000 0.459 389 R N 3.025 123.585 120.500 0.101 0.000 2.113 389 R HA -0.235 4.105 4.340 -0.001 0.000 0.244 389 R C 1.891 178.283 176.300 0.154 0.000 1.142 389 R CA 1.600 57.783 56.100 0.138 0.000 0.953 389 R CB -0.498 29.871 30.300 0.115 0.000 0.860 389 R HN 0.559 nan 8.270 nan 0.000 0.438 390 A N 1.323 124.218 122.820 0.124 0.000 2.194 390 A HA -0.181 4.139 4.320 -0.001 0.000 0.220 390 A C 1.136 178.823 177.584 0.172 0.000 1.162 390 A CA 1.674 53.794 52.037 0.138 0.000 0.674 390 A CB -0.262 18.806 19.000 0.114 0.000 0.789 390 A HN 0.244 nan 8.150 nan 0.000 0.470 391 D N -2.019 118.474 120.400 0.155 0.000 2.305 391 D HA 0.106 4.746 4.640 -0.001 0.000 0.206 391 D C -0.033 176.439 176.300 0.287 0.000 0.974 391 D CA 0.372 54.460 54.000 0.146 0.000 0.871 391 D CB 0.049 40.887 40.800 0.064 0.000 0.947 391 D HN 0.438 nan 8.370 nan 0.000 0.516 392 F N 1.419 121.456 119.950 0.145 0.000 2.427 392 F HA 0.524 5.050 4.527 -0.001 0.000 0.346 392 F C -0.451 175.432 175.800 0.138 0.000 1.120 392 F CA -1.125 56.959 58.000 0.140 0.000 1.033 392 F CB 0.992 40.034 39.000 0.070 0.000 1.126 392 F HN -0.428 nan 8.300 nan 0.000 0.462 393 R N 4.500 124.639 120.500 -0.603 0.000 2.514 393 R HA 0.271 4.611 4.340 -0.001 0.000 0.296 393 R C 0.529 176.335 176.300 -0.823 0.000 1.012 393 R CA -0.322 55.346 56.100 -0.720 0.000 0.897 393 R CB 1.180 31.030 30.300 -0.749 0.000 1.184 393 R HN 0.807 nan 8.270 nan 0.000 0.440 394 E N 1.656 121.380 120.200 -0.793 0.000 2.265 394 E HA -0.152 4.198 4.350 -0.001 0.000 0.196 394 E C -0.470 175.981 176.600 -0.247 0.000 0.996 394 E CA 1.106 57.250 56.400 -0.427 0.000 0.832 394 E CB 0.190 29.754 29.700 -0.228 0.000 0.756 394 E HN 0.508 nan 8.360 nan 0.000 0.491 395 E N -0.649 119.373 120.200 -0.296 0.000 2.367 395 E HA 0.737 5.087 4.350 -0.001 0.000 0.273 395 E C -1.163 175.249 176.600 -0.312 0.000 0.903 395 E CA -0.911 55.356 56.400 -0.222 0.000 0.764 395 E CB 2.315 31.916 29.700 -0.164 0.000 1.252 395 E HN 0.109 nan 8.360 nan 0.000 0.446 396 A N 1.799 124.496 122.820 -0.206 0.000 2.586 396 A HA 0.458 4.778 4.320 -0.001 0.000 0.296 396 A C -1.137 176.424 177.584 -0.038 0.000 1.040 396 A CA -1.116 50.802 52.037 -0.198 0.000 0.701 396 A CB 0.711 19.511 19.000 -0.334 0.000 1.277 396 A HN 0.695 nan 8.150 nan 0.000 0.413 397 N N 1.309 120.011 118.700 0.003 0.000 2.285 397 N HA 0.056 4.795 4.740 -0.001 0.000 0.262 397 N C 0.713 176.265 175.510 0.070 0.000 1.299 397 N CA 0.183 53.255 53.050 0.036 0.000 0.930 397 N CB 0.573 39.082 38.487 0.036 0.000 1.157 397 N HN 0.825 nan 8.380 nan 0.000 0.532 398 K N -0.560 119.872 120.400 0.053 0.000 2.360 398 K HA -0.136 4.184 4.320 -0.001 0.000 0.201 398 K C 1.532 178.171 176.600 0.064 0.000 1.046 398 K CA 1.231 57.550 56.287 0.053 0.000 0.945 398 K CB 0.136 32.659 32.500 0.038 0.000 0.750 398 K HN 0.534 nan 8.250 nan 0.000 0.464 399 Q N -1.027 118.820 119.800 0.078 0.000 2.259 399 Q HA -0.057 4.283 4.340 -0.001 0.000 0.201 399 Q C -0.084 175.975 176.000 0.098 0.000 0.938 399 Q CA 0.021 55.869 55.803 0.075 0.000 0.872 399 Q CB 0.136 28.911 28.738 0.062 0.000 0.971 399 Q HN 0.273 nan 8.270 nan 0.000 0.494 400 Y N 3.862 124.169 120.300 0.011 0.000 2.828 400 Y HA -0.110 4.440 4.550 0.000 0.000 0.364 400 Y C 1.030 176.941 175.900 0.018 0.000 1.277 400 Y CA 0.147 58.254 58.100 0.011 0.000 1.713 400 Y CB 0.103 38.562 38.460 -0.002 0.000 1.278 400 Y HN 0.008 nan 8.280 nan 0.000 0.502 401 K N 3.863 124.129 120.400 -0.224 0.000 2.486 401 K HA 0.069 4.389 4.320 -0.001 0.000 0.194 401 K C 0.595 177.073 176.600 -0.204 0.000 1.033 401 K CA 0.307 56.502 56.287 -0.154 0.000 1.004 401 K CB 0.326 32.771 32.500 -0.092 0.000 0.798 401 K HN 0.509 nan 8.250 nan 0.000 0.495 402 R N 0.475 120.675 120.500 -0.499 0.000 2.696 402 R HA 0.230 4.569 4.340 -0.001 0.000 0.218 402 R C -0.200 176.140 176.300 0.067 0.000 1.202 402 R CA -0.892 55.065 56.100 -0.237 0.000 1.043 402 R CB -0.051 30.061 30.300 -0.313 0.000 1.292 402 R HN 0.011 nan 8.270 nan 0.000 0.521 403 L N 1.141 122.476 121.223 0.187 0.000 2.360 403 L HA 0.210 4.549 4.340 -0.001 0.000 0.276 403 L C -1.069 176.018 176.870 0.362 0.000 1.121 403 L CA 0.315 55.328 54.840 0.288 0.000 0.845 403 L CB 1.035 43.286 42.059 0.319 0.000 1.143 403 L HN 0.168 nan 8.230 nan 0.000 0.452 404 V N 5.959 126.035 119.914 0.271 0.000 2.715 404 V HA 0.222 4.342 4.120 -0.001 0.000 0.310 404 V C 0.715 176.942 176.094 0.221 0.000 1.054 404 V CA -0.856 61.529 62.300 0.142 0.000 0.928 404 V CB 1.724 33.606 31.823 0.098 0.000 1.007 404 V HN 0.686 nan 8.190 nan 0.000 0.437 405 L N 3.000 124.335 121.223 0.186 0.000 2.784 405 L HA 0.216 4.555 4.340 -0.001 0.000 0.247 405 L C 1.122 178.088 176.870 0.160 0.000 1.162 405 L CA 1.475 56.484 54.840 0.281 0.000 0.881 405 L CB -0.862 41.342 42.059 0.241 0.000 1.032 405 L HN 0.910 nan 8.230 nan 0.000 0.446 406 G N -0.810 108.062 108.800 0.120 0.000 4.973 406 G HA2 0.399 4.359 3.960 -0.001 0.000 0.211 406 G HA3 0.399 4.359 3.960 -0.001 0.000 0.211 406 G C -0.512 174.436 174.900 0.080 0.000 0.784 406 G CA -0.271 44.879 45.100 0.084 0.000 0.657 406 G HN 0.110 nan 8.290 nan 0.000 0.480 407 K N 0.028 120.487 120.400 0.099 0.000 2.735 407 K HA 0.548 4.868 4.320 -0.001 0.000 0.295 407 K C -1.328 175.330 176.600 0.097 0.000 1.052 407 K CA -0.575 55.766 56.287 0.090 0.000 0.853 407 K CB 1.190 33.747 32.500 0.095 0.000 1.535 407 K HN 0.152 nan 8.250 nan 0.000 0.383 408 E N -0.128 120.120 120.200 0.081 0.000 2.299 408 E HA 0.770 5.120 4.350 -0.001 0.000 0.260 408 E C -0.787 175.860 176.600 0.078 0.000 0.944 408 E CA -1.046 55.400 56.400 0.077 0.000 0.815 408 E CB 1.615 31.351 29.700 0.060 0.000 1.252 408 E HN 0.495 nan 8.360 nan 0.000 0.418 409 V N -2.450 117.509 119.914 0.075 0.000 3.147 409 V HA 0.660 4.780 4.120 -0.001 0.000 0.299 409 V C -0.955 175.180 176.094 0.068 0.000 1.302 409 V CA -1.363 60.978 62.300 0.069 0.000 1.015 409 V CB 1.861 33.728 31.823 0.073 0.000 1.086 409 V HN 0.578 nan 8.190 nan 0.000 0.437 410 R N 2.379 122.919 120.500 0.066 0.000 2.248 410 R HA 0.542 4.881 4.340 -0.001 0.000 0.328 410 R C -0.552 175.809 176.300 0.102 0.000 1.067 410 R CA -0.543 55.601 56.100 0.073 0.000 0.924 410 R CB -0.196 30.141 30.300 0.061 0.000 1.013 410 R HN 0.863 nan 8.270 nan 0.000 0.454 411 L N 4.929 126.210 121.223 0.096 0.000 2.410 411 L HA 0.212 4.551 4.340 -0.001 0.000 0.273 411 L C 1.010 178.066 176.870 0.310 0.000 1.144 411 L CA -0.237 54.683 54.840 0.134 0.000 0.863 411 L CB 0.453 42.423 42.059 -0.148 0.000 1.140 411 L HN 0.462 nan 8.230 nan 0.000 0.463 412 R N 4.012 124.814 120.500 0.502 0.000 2.485 412 R HA -0.147 4.193 4.340 -0.001 0.000 0.304 412 R C 0.536 177.091 176.300 0.426 0.000 0.934 412 R CA 0.821 57.147 56.100 0.375 0.000 1.102 412 R CB -0.595 29.850 30.300 0.241 0.000 0.906 412 R HN 0.771 nan 8.270 nan 0.000 0.407 413 N N 0.404 119.222 118.700 0.198 0.000 2.708 413 N HA -0.332 4.407 4.740 -0.001 0.000 0.251 413 N C -0.288 175.283 175.510 0.102 0.000 1.123 413 N CA 0.875 53.999 53.050 0.123 0.000 0.739 413 N CB -0.328 38.216 38.487 0.095 0.000 1.113 413 N HN 0.744 nan 8.380 nan 0.000 0.561 414 A N -0.886 121.976 122.820 0.069 0.000 3.689 414 A HA 0.674 4.993 4.320 -0.001 0.000 0.174 414 A C -0.939 176.402 177.584 -0.405 0.000 0.741 414 A CA -0.432 51.456 52.037 -0.248 0.000 0.952 414 A CB 0.324 19.232 19.000 -0.153 0.000 1.740 414 A HN 0.131 nan 8.150 nan 0.000 0.770 415 Y N -0.682 119.485 120.300 -0.221 0.000 2.432 415 Y HA 0.528 5.078 4.550 0.001 0.000 0.322 415 Y C 0.316 176.196 175.900 -0.034 0.000 1.246 415 Y CA -0.599 57.432 58.100 -0.116 0.000 1.268 415 Y CB 1.052 39.462 38.460 -0.083 0.000 1.276 415 Y HN 0.230 nan 8.280 nan 0.000 0.499 416 V N 4.055 124.078 119.914 0.182 0.000 2.432 416 V HA 0.323 4.442 4.120 -0.001 0.000 0.275 416 V C 0.037 176.207 176.094 0.127 0.000 1.043 416 V CA -0.521 61.846 62.300 0.111 0.000 0.925 416 V CB 0.246 32.112 31.823 0.071 0.000 0.985 416 V HN 0.595 nan 8.190 nan 0.000 0.466 417 I N 1.933 122.565 120.570 0.103 0.000 3.023 417 I HA 0.764 4.934 4.170 -0.001 0.000 0.312 417 I C -0.570 175.589 176.117 0.071 0.000 1.056 417 I CA -0.980 60.378 61.300 0.097 0.000 1.033 417 I CB 2.133 40.174 38.000 0.068 0.000 1.233 417 I HN 0.500 nan 8.210 nan 0.000 0.462 418 K N 2.765 123.203 120.400 0.064 0.000 2.601 418 K HA 0.671 4.991 4.320 -0.001 0.000 0.249 418 K C -1.238 175.397 176.600 0.058 0.000 0.966 418 K CA -0.615 55.710 56.287 0.064 0.000 0.827 418 K CB 1.985 34.519 32.500 0.056 0.000 1.178 418 K HN 0.947 nan 8.250 nan 0.000 0.437 419 A N 3.625 126.488 122.820 0.072 0.000 2.450 419 A HA 0.198 4.518 4.320 -0.001 0.000 0.255 419 A C 0.048 177.686 177.584 0.090 0.000 1.096 419 A CA 0.085 52.154 52.037 0.053 0.000 0.778 419 A CB 0.259 19.309 19.000 0.085 0.000 1.031 419 A HN 0.958 nan 8.150 nan 0.000 0.494 420 E N 0.520 120.766 120.200 0.077 0.000 2.676 420 E HA 0.187 4.537 4.350 -0.001 0.000 0.225 420 E C 0.361 177.011 176.600 0.084 0.000 0.944 420 E CA -0.045 56.403 56.400 0.079 0.000 1.156 420 E CB 0.610 30.344 29.700 0.057 0.000 1.117 420 E HN 0.669 nan 8.360 nan 0.000 0.523 421 R N -0.571 119.995 120.500 0.111 0.000 2.921 421 R HA 0.593 4.933 4.340 -0.001 0.000 0.268 421 R C -2.046 174.356 176.300 0.170 0.000 1.008 421 R CA -0.608 55.569 56.100 0.128 0.000 0.876 421 R CB 1.500 31.849 30.300 0.083 0.000 1.395 421 R HN -0.042 nan 8.270 nan 0.000 0.443 422 V N -0.267 119.780 119.914 0.222 0.000 3.314 422 V HA 0.474 4.593 4.120 -0.001 0.000 0.285 422 V C -1.967 174.276 176.094 0.248 0.000 1.630 422 V CA -0.451 61.964 62.300 0.192 0.000 1.054 422 V CB 2.297 34.219 31.823 0.165 0.000 1.191 422 V HN 0.879 nan 8.190 nan 0.000 0.472 423 E N 1.896 122.219 120.200 0.204 0.000 2.352 423 E HA 0.586 4.936 4.350 -0.001 0.000 0.280 423 E C -1.773 174.896 176.600 0.115 0.000 0.930 423 E CA -0.684 55.827 56.400 0.186 0.000 0.765 423 E CB 2.531 32.422 29.700 0.317 0.000 1.219 423 E HN 0.672 nan 8.360 nan 0.000 0.434 424 K N 1.438 121.892 120.400 0.090 0.000 2.279 424 K HA 0.381 4.700 4.320 -0.001 0.000 0.238 424 K C -0.603 176.030 176.600 0.056 0.000 1.084 424 K CA -0.738 55.592 56.287 0.071 0.000 0.885 424 K CB 0.986 33.527 32.500 0.068 0.000 1.319 424 K HN 0.623 nan 8.250 nan 0.000 0.494 425 D N -0.753 119.675 120.400 0.047 0.000 2.726 425 D HA 0.290 4.929 4.640 -0.001 0.000 0.241 425 D C 0.837 177.156 176.300 0.032 0.000 1.150 425 D CA -0.398 53.625 54.000 0.038 0.000 1.089 425 D CB 0.060 40.882 40.800 0.037 0.000 1.260 425 D HN 0.408 nan 8.370 nan 0.000 0.637 426 A N 0.283 123.119 122.820 0.026 0.000 1.848 426 A HA -0.272 4.048 4.320 -0.001 0.000 0.217 426 A C 1.887 179.484 177.584 0.022 0.000 1.220 426 A CA 2.441 54.490 52.037 0.021 0.000 0.645 426 A CB -1.415 17.596 19.000 0.018 0.000 0.842 426 A HN 0.771 nan 8.150 nan 0.000 0.451 427 E N -0.811 119.403 120.200 0.022 0.000 2.501 427 E HA 0.064 4.414 4.350 -0.001 0.000 0.203 427 E C 1.037 177.652 176.600 0.025 0.000 1.072 427 E CA 0.635 57.047 56.400 0.021 0.000 0.885 427 E CB -0.498 29.215 29.700 0.020 0.000 0.813 427 E HN 0.967 nan 8.360 nan 0.000 0.556 428 G N 0.696 109.514 108.800 0.030 0.000 2.141 428 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.242 428 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.242 428 G C -0.331 174.597 174.900 0.045 0.000 0.982 428 G CA 0.202 45.324 45.100 0.036 0.000 0.662 428 G HN 0.373 nan 8.290 nan 0.000 0.527 429 N N -0.104 118.623 118.700 0.046 0.000 2.530 429 N HA 0.508 5.248 4.740 -0.001 0.000 0.273 429 N C 0.751 176.302 175.510 0.068 0.000 1.173 429 N CA -0.489 52.594 53.050 0.055 0.000 0.967 429 N CB 0.953 39.469 38.487 0.049 0.000 1.109 429 N HN 0.295 nan 8.380 nan 0.000 0.453 430 I N 1.025 121.647 120.570 0.088 0.000 2.634 430 I HA -0.039 4.131 4.170 -0.001 0.000 0.284 430 I C 1.491 177.645 176.117 0.062 0.000 1.124 430 I CA 0.313 61.669 61.300 0.092 0.000 1.417 430 I CB 0.846 38.931 38.000 0.142 0.000 1.396 430 I HN 0.771 nan 8.210 nan 0.000 0.571 431 T N -0.783 113.791 114.554 0.034 0.000 2.964 431 T HA 0.107 4.456 4.350 -0.001 0.000 0.250 431 T C 0.506 175.167 174.700 -0.065 0.000 0.982 431 T CA -0.036 62.073 62.100 0.015 0.000 0.959 431 T CB 0.534 69.417 68.868 0.026 0.000 1.141 431 T HN 0.651 nan 8.240 nan 0.000 0.494 432 T N 0.738 115.210 114.554 -0.137 0.000 3.097 432 T HA 0.608 4.958 4.350 -0.001 0.000 0.332 432 T C -2.190 172.204 174.700 -0.510 0.000 1.269 432 T CA -0.735 61.139 62.100 -0.376 0.000 1.076 432 T CB 1.176 69.729 68.868 -0.524 0.000 1.209 432 T HN 0.127 nan 8.240 nan 0.000 0.474 433 I N 4.723 124.919 120.570 -0.624 0.000 2.354 433 I HA 0.531 4.701 4.170 -0.001 0.000 0.292 433 I C -0.706 175.014 176.117 -0.662 0.000 0.989 433 I CA -0.475 60.466 61.300 -0.598 0.000 1.188 433 I CB 1.144 38.715 38.000 -0.716 0.000 1.342 433 I HN 0.539 nan 8.210 nan 0.000 0.457 434 F N 5.071 124.899 119.950 -0.203 0.000 2.415 434 F HA 0.601 5.127 4.527 -0.000 0.000 0.348 434 F C 0.260 175.988 175.800 -0.121 0.000 1.119 434 F CA -0.335 57.578 58.000 -0.144 0.000 1.069 434 F CB 0.998 39.938 39.000 -0.100 0.000 1.124 434 F HN 0.389 nan 8.300 nan 0.000 0.472 435 C N 0.386 119.699 119.300 0.022 0.000 3.259 435 C HA 0.887 5.347 4.460 -0.001 0.000 0.328 435 C C -0.122 174.900 174.990 0.054 0.000 1.425 435 C CA -0.930 58.100 59.018 0.019 0.000 1.465 435 C CB 2.093 29.811 27.740 -0.036 0.000 1.890 435 C HN 0.865 nan 8.230 nan 0.000 0.450 436 T N -0.814 113.784 114.554 0.074 0.000 2.876 436 T HA 0.696 5.046 4.350 -0.001 0.000 0.289 436 T C -0.987 173.811 174.700 0.163 0.000 1.014 436 T CA -0.354 61.819 62.100 0.121 0.000 0.986 436 T CB 1.323 70.237 68.868 0.076 0.000 1.021 436 T HN 0.910 nan 8.240 nan 0.000 0.458 437 Y N 0.588 120.872 120.300 -0.027 0.000 2.519 437 Y HA 0.743 5.293 4.550 -0.001 0.000 0.324 437 Y C -0.164 175.705 175.900 -0.052 0.000 1.214 437 Y CA -1.853 56.218 58.100 -0.048 0.000 1.260 437 Y CB 0.682 39.073 38.460 -0.115 0.000 1.311 437 Y HN 0.771 nan 8.280 nan 0.000 0.505 438 D N 0.412 120.652 120.400 -0.267 0.000 2.294 438 D HA 0.396 5.035 4.640 -0.001 0.000 0.250 438 D C 0.633 176.616 176.300 -0.527 0.000 1.058 438 D CA 0.255 54.069 54.000 -0.310 0.000 0.950 438 D CB 2.374 43.127 40.800 -0.079 0.000 1.158 438 D HN 0.856 nan 8.370 nan 0.000 0.453 439 A N 2.430 125.034 122.820 -0.360 0.000 1.824 439 A HA -0.169 4.151 4.320 -0.001 0.000 0.215 439 A C 1.200 178.764 177.584 -0.034 0.000 1.209 439 A CA 1.623 53.498 52.037 -0.270 0.000 0.614 439 A CB -0.390 18.514 19.000 -0.160 0.000 0.852 439 A HN 0.661 nan 8.150 nan 0.000 0.447 440 D N -0.373 120.034 120.400 0.011 0.000 3.088 440 D HA 0.248 4.888 4.640 -0.001 0.000 0.310 440 D C -0.381 175.947 176.300 0.047 0.000 1.351 440 D CA 0.131 54.168 54.000 0.061 0.000 0.921 440 D CB -0.272 40.539 40.800 0.018 0.000 1.045 440 D HN 0.240 nan 8.370 nan 0.000 0.504 441 T N 0.630 115.250 114.554 0.110 0.000 4.058 441 T HA 0.434 4.784 4.350 -0.001 0.000 0.252 441 T C 0.484 175.157 174.700 -0.046 0.000 1.264 441 T CA -0.490 61.643 62.100 0.055 0.000 1.094 441 T CB -0.890 68.042 68.868 0.106 0.000 1.316 441 T HN 0.347 nan 8.240 nan 0.000 0.872 455 V N 0.503 120.435 119.914 0.030 0.000 2.815 455 V HA 0.841 4.961 4.120 -0.001 0.000 0.314 455 V C -0.006 176.133 176.094 0.076 0.000 1.064 455 V CA -0.630 61.707 62.300 0.062 0.000 0.952 455 V CB 1.483 33.346 31.823 0.066 0.000 1.020 455 V HN 1.156 nan 8.190 nan 0.000 0.439 456 I N 0.062 120.703 120.570 0.118 0.000 2.722 456 I HA 0.658 4.828 4.170 -0.001 0.000 0.292 456 I C -0.476 175.760 176.117 0.198 0.000 1.267 456 I CA -0.839 60.530 61.300 0.115 0.000 1.036 456 I CB 2.141 40.163 38.000 0.036 0.000 1.281 456 I HN 0.890 nan 8.210 nan 0.000 0.423 457 H N 4.214 123.353 119.070 0.117 0.000 2.607 457 H HA 0.688 5.243 4.556 -0.001 0.000 0.367 457 H C -1.033 174.387 175.328 0.155 0.000 1.181 457 H CA -0.364 55.712 56.048 0.046 0.000 1.402 457 H CB 0.940 30.646 29.762 -0.093 0.000 1.474 457 H HN 0.815 nan 8.280 nan 0.000 0.596 458 W N -0.423 120.880 121.300 0.006 0.000 2.988 458 W HA 0.592 5.252 4.660 -0.001 0.000 0.355 458 W C -2.370 174.148 176.519 -0.001 0.000 1.233 458 W CA -1.268 56.057 57.345 -0.033 0.000 1.176 458 W CB 0.665 30.105 29.460 -0.032 0.000 1.477 458 W HN 0.572 nan 8.180 nan 0.000 0.582 459 V N 1.970 122.075 119.914 0.318 0.000 2.610 459 V HA 0.161 4.281 4.120 -0.001 0.000 0.298 459 V C 0.151 176.461 176.094 0.359 0.000 1.067 459 V CA -0.599 61.822 62.300 0.201 0.000 0.894 459 V CB 1.320 33.228 31.823 0.142 0.000 1.015 459 V HN 0.611 nan 8.190 nan 0.000 0.432 460 S N 4.126 120.023 115.700 0.329 0.000 2.509 460 S HA 0.280 4.749 4.470 -0.001 0.000 0.287 460 S C 1.571 176.214 174.600 0.071 0.000 1.248 460 S CA 0.229 58.506 58.200 0.129 0.000 1.089 460 S CB 1.058 64.374 63.200 0.193 0.000 0.900 460 S HN 1.235 nan 8.310 nan 0.000 0.496 461 A N 5.251 127.922 122.820 -0.249 0.000 2.032 461 A HA 0.009 4.329 4.320 -0.001 0.000 0.221 461 A C 2.341 179.839 177.584 -0.143 0.000 1.165 461 A CA 1.930 53.770 52.037 -0.330 0.000 0.645 461 A CB -1.145 17.275 19.000 -0.967 0.000 0.807 461 A HN 1.249 nan 8.150 nan 0.000 0.453 462 A N -0.551 122.160 122.820 -0.182 0.000 1.897 462 A HA -0.004 4.315 4.320 -0.001 0.000 0.215 462 A C 1.182 178.562 177.584 -0.339 0.000 1.181 462 A CA 1.318 53.158 52.037 -0.328 0.000 0.620 462 A CB -0.534 18.131 19.000 -0.558 0.000 0.821 462 A HN 0.656 nan 8.150 nan 0.000 0.443 463 H N -0.697 118.367 119.070 -0.010 0.000 2.421 463 H HA 0.682 5.238 4.556 0.000 0.000 0.241 463 H C -0.230 175.117 175.328 0.031 0.000 1.428 463 H CA -0.220 55.837 56.048 0.014 0.000 1.136 463 H CB -0.268 29.501 29.762 0.012 0.000 1.612 463 H HN 0.395 nan 8.280 nan 0.000 0.537 464 A N 1.569 124.480 122.820 0.153 0.000 2.287 464 A HA 0.478 4.798 4.320 -0.001 0.000 0.317 464 A C -0.652 177.056 177.584 0.208 0.000 1.220 464 A CA -0.784 51.363 52.037 0.184 0.000 0.835 464 A CB 0.609 19.733 19.000 0.206 0.000 1.180 464 A HN 0.416 nan 8.150 nan 0.000 0.500 465 L N 4.747 126.047 121.223 0.129 0.000 2.313 465 L HA 0.489 4.828 4.340 -0.001 0.000 0.282 465 L C -2.466 174.449 176.870 0.074 0.000 1.092 465 L CA -1.737 53.154 54.840 0.086 0.000 0.831 465 L CB 0.732 42.800 42.059 0.014 0.000 1.159 465 L HN 0.325 nan 8.230 nan 0.000 0.442 466 P HA 0.227 nan 4.420 nan 0.000 0.276 466 P C -1.170 176.021 177.300 -0.183 0.000 1.243 466 P CA -0.007 62.992 63.100 -0.168 0.000 0.768 466 P CB 1.192 32.861 31.700 -0.053 0.000 0.856 467 V N 3.170 122.900 119.914 -0.306 0.000 2.823 467 V HA 0.317 4.437 4.120 -0.001 0.000 0.312 467 V C -0.087 175.917 176.094 -0.149 0.000 1.072 467 V CA -0.726 61.484 62.300 -0.150 0.000 0.937 467 V CB 2.308 34.015 31.823 -0.194 0.000 1.013 467 V HN 0.446 nan 8.190 nan 0.000 0.430 468 E N 3.861 124.059 120.200 -0.004 0.000 2.081 468 E HA 0.482 4.832 4.350 -0.001 0.000 0.276 468 E C -1.096 175.553 176.600 0.082 0.000 0.950 468 E CA -0.379 56.015 56.400 -0.010 0.000 0.776 468 E CB 0.894 30.597 29.700 0.005 0.000 1.094 468 E HN 0.561 nan 8.360 nan 0.000 0.402 469 I N 4.351 124.940 120.570 0.031 0.000 2.428 469 I HA 0.343 4.513 4.170 -0.001 0.000 0.296 469 I C 0.295 176.458 176.117 0.076 0.000 0.985 469 I CA -0.735 60.641 61.300 0.126 0.000 1.260 469 I CB 1.359 39.408 38.000 0.082 0.000 1.389 469 I HN 0.425 nan 8.210 nan 0.000 0.484 470 R N 6.565 127.132 120.500 0.112 0.000 2.371 470 R HA 0.515 4.855 4.340 -0.001 0.000 0.312 470 R C -1.321 174.819 176.300 -0.267 0.000 0.980 470 R CA -0.678 55.331 56.100 -0.152 0.000 0.867 470 R CB 1.376 31.568 30.300 -0.180 0.000 1.163 470 R HN 0.504 nan 8.270 nan 0.000 0.492 471 L N 4.631 125.682 121.223 -0.287 0.000 2.255 471 L HA 0.407 4.747 4.340 -0.001 0.000 0.289 471 L C -0.578 176.087 176.870 -0.341 0.000 1.046 471 L CA -0.636 54.087 54.840 -0.194 0.000 0.816 471 L CB 0.124 42.143 42.059 -0.066 0.000 1.197 471 L HN 0.419 nan 8.230 nan 0.000 0.427 472 Y N 1.396 121.675 120.300 -0.034 0.000 2.432 472 Y HA 0.545 5.094 4.550 -0.001 0.000 0.322 472 Y C 0.200 176.073 175.900 -0.045 0.000 1.246 472 Y CA -0.406 57.673 58.100 -0.036 0.000 1.268 472 Y CB 1.451 39.892 38.460 -0.032 0.000 1.276 472 Y HN 0.489 nan 8.280 nan 0.000 0.499 473 D N -0.921 119.545 120.400 0.109 0.000 2.626 473 D HA 0.265 4.904 4.640 -0.001 0.000 0.278 473 D C -1.308 174.993 176.300 0.001 0.000 1.211 473 D CA -1.006 53.006 54.000 0.020 0.000 0.903 473 D CB 1.188 41.972 40.800 -0.025 0.000 1.408 473 D HN 0.530 nan 8.370 nan 0.000 0.454 474 R N 1.196 121.662 120.500 -0.057 0.000 2.537 474 R HA 0.080 4.420 4.340 -0.001 0.000 0.281 474 R C 1.141 177.414 176.300 -0.045 0.000 0.988 474 R CA -0.216 55.854 56.100 -0.050 0.000 1.077 474 R CB 0.289 30.478 30.300 -0.186 0.000 0.932 474 R HN 0.497 nan 8.270 nan 0.000 0.409 475 L N 1.725 122.922 121.223 -0.043 0.000 2.042 475 L HA -0.061 4.279 4.340 -0.001 0.000 0.210 475 L C 0.240 176.835 176.870 -0.458 0.000 1.076 475 L CA 1.492 56.171 54.840 -0.268 0.000 0.749 475 L CB 0.059 41.906 42.059 -0.354 0.000 0.893 475 L HN 0.552 nan 8.230 nan 0.000 0.432 476 F N -1.961 118.049 119.950 0.100 0.000 2.470 476 F HA 0.159 4.686 4.527 -0.001 0.000 0.329 476 F C 1.334 177.239 175.800 0.175 0.000 1.072 476 F CA -0.547 57.524 58.000 0.118 0.000 0.989 476 F CB 1.525 40.611 39.000 0.143 0.000 1.193 476 F HN -0.189 nan 8.300 nan 0.000 0.481 477 S N -0.523 115.363 115.700 0.310 0.000 2.593 477 S HA 0.236 4.706 4.470 -0.001 0.000 0.217 477 S C -0.032 174.769 174.600 0.336 0.000 0.966 477 S CA -0.023 58.322 58.200 0.242 0.000 0.914 477 S CB -0.875 62.404 63.200 0.130 0.000 0.776 477 S HN 0.415 nan 8.310 nan 0.000 0.523 478 V N -2.705 117.421 119.914 0.354 0.000 2.656 478 V HA 0.571 4.690 4.120 -0.001 0.000 0.307 478 V C -2.520 173.538 176.094 -0.060 0.000 1.051 478 V CA -2.452 59.954 62.300 0.178 0.000 0.893 478 V CB 1.598 33.471 31.823 0.084 0.000 0.999 478 V HN -0.163 nan 8.190 nan 0.000 0.426 479 P HA -0.101 nan 4.420 nan 0.000 0.217 479 P C 0.470 177.519 177.300 -0.419 0.000 1.148 479 P CA 1.581 64.154 63.100 -0.879 0.000 0.828 479 P CB 0.108 31.478 31.700 -0.550 0.000 0.783 480 N N -1.432 117.131 118.700 -0.229 0.000 2.757 480 N HA 0.116 4.855 4.740 -0.001 0.000 0.296 480 N C -1.730 173.690 175.510 -0.149 0.000 1.874 480 N CA -2.368 50.583 53.050 -0.166 0.000 0.885 480 N CB 0.055 38.464 38.487 -0.130 0.000 1.242 480 N HN -0.053 nan 8.380 nan 0.000 0.488 481 P HA -0.084 nan 4.420 nan 0.000 0.218 481 P C 1.375 178.532 177.300 -0.238 0.000 1.146 481 P CA 0.949 63.893 63.100 -0.260 0.000 0.813 481 P CB 0.127 31.418 31.700 -0.681 0.000 0.778 482 G N 1.041 109.684 108.800 -0.261 0.000 2.446 482 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.217 482 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.217 482 G C 1.719 176.514 174.900 -0.174 0.000 1.168 482 G CA 0.939 45.879 45.100 -0.266 0.000 0.771 482 G HN 0.404 nan 8.290 nan 0.000 0.551 483 A N 0.239 122.982 122.820 -0.129 0.000 2.239 483 A HA 0.640 4.960 4.320 -0.001 0.000 0.209 483 A C 1.507 179.057 177.584 -0.057 0.000 1.171 483 A CA 1.019 53.003 52.037 -0.088 0.000 0.768 483 A CB -0.442 18.511 19.000 -0.078 0.000 0.790 483 A HN 0.760 nan 8.150 nan 0.000 0.478 484 A N -0.371 122.422 122.820 -0.045 0.000 2.332 484 A HA 0.361 4.681 4.320 -0.001 0.000 0.258 484 A C 0.847 178.439 177.584 0.015 0.000 1.087 484 A CA -0.026 52.008 52.037 -0.004 0.000 0.802 484 A CB 0.301 19.313 19.000 0.020 0.000 1.042 484 A HN 0.378 nan 8.150 nan 0.000 0.489 485 D N -0.370 120.043 120.400 0.022 0.000 2.097 485 D HA -0.107 4.533 4.640 -0.001 0.000 0.195 485 D C -0.296 176.039 176.300 0.057 0.000 0.989 485 D CA 1.711 55.727 54.000 0.027 0.000 0.827 485 D CB 0.249 41.061 40.800 0.020 0.000 0.966 485 D HN 0.595 nan 8.370 nan 0.000 0.456 486 D N -0.468 119.977 120.400 0.075 0.000 2.358 486 D HA 0.013 4.652 4.640 -0.001 0.000 0.253 486 D C 0.802 177.178 176.300 0.127 0.000 1.288 486 D CA -0.667 53.398 54.000 0.109 0.000 0.950 486 D CB 0.355 41.184 40.800 0.048 0.000 1.197 486 D HN -0.115 nan 8.370 nan 0.000 0.550 487 F N 3.132 123.057 119.950 -0.042 0.000 2.250 487 F HA -0.050 4.476 4.527 -0.001 0.000 0.301 487 F C 1.106 176.951 175.800 0.075 0.000 1.077 487 F CA 0.798 58.751 58.000 -0.079 0.000 1.348 487 F CB -0.675 38.188 39.000 -0.229 0.000 1.040 487 F HN 0.320 nan 8.300 nan 0.000 0.509 488 L N 0.750 121.637 121.223 -0.560 0.000 2.217 488 L HA -0.114 4.226 4.340 -0.001 0.000 0.211 488 L C 2.546 179.275 176.870 -0.235 0.000 1.107 488 L CA 1.222 55.762 54.840 -0.499 0.000 0.783 488 L CB -0.812 40.940 42.059 -0.512 0.000 0.919 488 L HN 0.410 nan 8.230 nan 0.000 0.442 489 S N -1.704 113.923 115.700 -0.123 0.000 2.561 489 S HA -0.045 4.425 4.470 -0.001 0.000 0.225 489 S C 1.297 175.887 174.600 -0.017 0.000 0.977 489 S CA 0.155 58.311 58.200 -0.074 0.000 0.926 489 S CB 0.167 63.344 63.200 -0.038 0.000 0.769 489 S HN 0.208 nan 8.310 nan 0.000 0.533 490 V N 1.555 121.501 119.914 0.053 0.000 3.177 490 V HA 0.439 4.559 4.120 -0.001 0.000 0.342 490 V C -0.031 176.201 176.094 0.230 0.000 1.379 490 V CA -0.624 61.755 62.300 0.133 0.000 1.191 490 V CB -0.502 31.406 31.823 0.143 0.000 1.167 490 V HN 0.459 nan 8.190 nan 0.000 0.471 491 I N 2.027 122.638 120.570 0.068 0.000 2.634 491 I HA 0.104 4.274 4.170 -0.001 0.000 0.284 491 I C 0.607 176.646 176.117 -0.129 0.000 1.124 491 I CA 0.155 61.351 61.300 -0.174 0.000 1.417 491 I CB 0.556 38.361 38.000 -0.325 0.000 1.396 491 I HN 0.266 nan 8.210 nan 0.000 0.571 492 N N 9.014 127.611 118.700 -0.171 0.000 2.411 492 N HA 0.138 4.878 4.740 -0.001 0.000 0.259 492 N C -1.616 173.831 175.510 -0.105 0.000 1.103 492 N CA -2.033 50.961 53.050 -0.095 0.000 0.954 492 N CB 0.971 39.409 38.487 -0.082 0.000 1.085 492 N HN 0.284 nan 8.380 nan 0.000 0.485 493 P HA -0.057 nan 4.420 nan 0.000 0.230 493 P C -0.379 176.885 177.300 -0.060 0.000 1.158 493 P CA 1.073 64.132 63.100 -0.069 0.000 0.769 493 P CB 0.379 32.048 31.700 -0.052 0.000 0.807 494 E N -0.472 119.693 120.200 -0.058 0.000 2.585 494 E HA 0.080 4.430 4.350 -0.001 0.000 0.206 494 E C 1.357 177.925 176.600 -0.055 0.000 1.007 494 E CA -0.067 56.300 56.400 -0.054 0.000 1.028 494 E CB 0.232 29.905 29.700 -0.045 0.000 1.087 494 E HN 0.245 nan 8.360 nan 0.000 0.455 495 S N 0.367 116.034 115.700 -0.056 0.000 2.419 495 S HA -0.107 4.363 4.470 -0.001 0.000 0.233 495 S C 0.708 175.317 174.600 0.015 0.000 1.016 495 S CA 0.433 58.618 58.200 -0.025 0.000 0.974 495 S CB 0.033 63.201 63.200 -0.054 0.000 0.786 495 S HN 0.209 nan 8.310 nan 0.000 0.492 496 L N 0.809 122.005 121.223 -0.044 0.000 2.438 496 L HA 0.763 5.103 4.340 -0.001 0.000 0.270 496 L C -1.220 175.560 176.870 -0.150 0.000 0.972 496 L CA -0.921 53.831 54.840 -0.147 0.000 0.831 496 L CB 2.319 44.325 42.059 -0.088 0.000 1.273 496 L HN 0.006 nan 8.230 nan 0.000 0.405 497 V N 6.971 126.765 119.914 -0.200 0.000 2.462 497 V HA 0.544 4.664 4.120 -0.001 0.000 0.288 497 V C -0.578 175.426 176.094 -0.149 0.000 1.020 497 V CA -0.338 61.881 62.300 -0.135 0.000 0.857 497 V CB 1.332 33.101 31.823 -0.090 0.000 1.013 497 V HN 0.715 nan 8.190 nan 0.000 0.431 498 I N 7.666 128.159 120.570 -0.129 0.000 2.396 498 I HA 0.426 4.596 4.170 -0.001 0.000 0.289 498 I C 0.204 176.268 176.117 -0.089 0.000 1.056 498 I CA -0.084 61.148 61.300 -0.114 0.000 1.365 498 I CB 0.676 38.613 38.000 -0.106 0.000 1.407 498 I HN 0.449 nan 8.210 nan 0.000 0.509 499 K N 5.735 126.086 120.400 -0.080 0.000 2.281 499 K HA 0.492 4.811 4.320 -0.001 0.000 0.242 499 K C -0.712 175.812 176.600 -0.127 0.000 0.971 499 K CA -0.924 55.309 56.287 -0.090 0.000 0.834 499 K CB 1.988 34.446 32.500 -0.070 0.000 1.181 499 K HN 0.365 nan 8.250 nan 0.000 0.435 500 Q N 0.700 120.391 119.800 -0.181 0.000 2.333 500 Q HA 0.580 4.920 4.340 -0.001 0.000 0.265 500 Q C 0.012 175.760 176.000 -0.419 0.000 0.989 500 Q CA -0.529 55.103 55.803 -0.284 0.000 0.842 500 Q CB 2.020 30.600 28.738 -0.264 0.000 1.262 500 Q HN 0.886 nan 8.270 nan 0.000 0.451 501 G N 0.869 109.341 108.800 -0.548 0.000 3.135 501 G HA2 0.789 4.749 3.960 -0.001 0.000 0.278 501 G HA3 0.789 4.749 3.960 -0.001 0.000 0.278 501 G C -1.513 172.764 174.900 -1.038 0.000 1.302 501 G CA -0.452 44.265 45.100 -0.638 0.000 0.880 501 G HN 0.309 nan 8.290 nan 0.000 0.574 502 F N 0.105 119.819 119.950 -0.393 0.000 2.557 502 F HA 0.712 5.239 4.527 -0.001 0.000 0.316 502 F C 0.406 175.986 175.800 -0.367 0.000 1.141 502 F CA -0.725 57.049 58.000 -0.376 0.000 0.922 502 F CB 2.475 41.172 39.000 -0.504 0.000 1.194 502 F HN 0.636 nan 8.300 nan 0.000 0.443 503 A N 2.179 124.866 122.820 -0.222 0.000 2.340 503 A HA 0.675 4.994 4.320 -0.001 0.000 0.331 503 A C -0.578 176.854 177.584 -0.253 0.000 1.140 503 A CA -0.841 50.955 52.037 -0.401 0.000 0.801 503 A CB 0.635 19.278 19.000 -0.595 0.000 1.234 503 A HN 0.816 nan 8.150 nan 0.000 0.469 504 E N 3.091 123.093 120.200 -0.330 0.000 2.442 504 E HA 0.103 4.453 4.350 -0.001 0.000 0.262 504 E C -1.757 174.741 176.600 -0.170 0.000 1.004 504 E CA -0.915 55.341 56.400 -0.239 0.000 0.928 504 E CB 0.291 29.794 29.700 -0.328 0.000 0.937 504 E HN 0.393 nan 8.360 nan 0.000 0.446 505 P HA -0.354 nan 4.420 nan 0.000 0.219 505 P C 1.375 178.648 177.300 -0.045 0.000 1.145 505 P CA 1.931 65.015 63.100 -0.026 0.000 0.813 505 P CB 0.049 31.765 31.700 0.028 0.000 0.771 506 S N -0.232 115.414 115.700 -0.089 0.000 2.383 506 S HA -0.133 4.337 4.470 -0.001 0.000 0.229 506 S C 1.966 176.517 174.600 -0.082 0.000 1.030 506 S CA 0.861 59.014 58.200 -0.078 0.000 1.002 506 S CB -1.275 61.863 63.200 -0.103 0.000 0.829 506 S HN -0.053 nan 8.310 nan 0.000 0.467 507 L N 1.864 122.997 121.223 -0.151 0.000 2.447 507 L HA 0.035 4.375 4.340 -0.001 0.000 0.225 507 L C 2.441 179.361 176.870 0.084 0.000 1.148 507 L CA 1.572 56.354 54.840 -0.096 0.000 0.808 507 L CB -1.642 40.305 42.059 -0.188 0.000 0.928 507 L HN 0.486 nan 8.230 nan 0.000 0.448 508 K N 0.687 121.115 120.400 0.046 0.000 2.113 508 K HA -0.181 4.138 4.320 -0.001 0.000 0.208 508 K C 0.888 177.546 176.600 0.098 0.000 1.047 508 K CA 1.503 57.837 56.287 0.078 0.000 0.928 508 K CB -0.088 32.444 32.500 0.052 0.000 0.716 508 K HN 0.194 nan 8.250 nan 0.000 0.446 509 D N 0.569 121.026 120.400 0.095 0.000 2.587 509 D HA 0.169 4.808 4.640 -0.001 0.000 0.233 509 D C -0.790 175.619 176.300 0.182 0.000 1.213 509 D CA 0.134 54.203 54.000 0.115 0.000 0.827 509 D CB 0.310 41.167 40.800 0.096 0.000 1.006 509 D HN 0.332 nan 8.370 nan 0.000 0.490 510 A N 0.682 123.638 122.820 0.227 0.000 2.401 510 A HA 0.411 4.731 4.320 -0.001 0.000 0.259 510 A C 0.483 178.192 177.584 0.208 0.000 1.103 510 A CA -0.427 51.836 52.037 0.377 0.000 0.789 510 A CB 0.579 19.847 19.000 0.447 0.000 1.035 510 A HN 0.096 nan 8.150 nan 0.000 0.491 511 V N 0.457 120.486 119.914 0.191 0.000 2.435 511 V HA 0.717 4.837 4.120 -0.001 0.000 0.290 511 V C 0.582 176.683 176.094 0.013 0.000 1.030 511 V CA -0.572 61.772 62.300 0.073 0.000 0.881 511 V CB 0.794 32.652 31.823 0.058 0.000 0.983 511 V HN 1.332 nan 8.190 nan 0.000 0.445 512 A N 3.613 126.422 122.820 -0.018 0.000 2.541 512 A HA 0.626 4.946 4.320 -0.001 0.000 0.293 512 A C 1.315 178.879 177.584 -0.033 0.000 1.307 512 A CA 0.740 52.749 52.037 -0.047 0.000 0.978 512 A CB -0.941 18.030 19.000 -0.048 0.000 1.111 512 A HN 2.092 nan 8.150 nan 0.000 0.535 513 G N 1.774 110.548 108.800 -0.043 0.000 3.859 513 G HA2 -0.005 3.955 3.960 -0.001 0.000 0.198 513 G HA3 -0.005 3.955 3.960 -0.001 0.000 0.198 513 G C 0.346 175.209 174.900 -0.062 0.000 0.972 513 G CA 0.124 45.207 45.100 -0.029 0.000 0.882 513 G HN 0.762 nan 8.290 nan 0.000 0.364 514 K N 1.003 121.327 120.400 -0.128 0.000 2.095 514 K HA 0.789 5.108 4.320 -0.001 0.000 0.252 514 K C -0.608 175.776 176.600 -0.361 0.000 0.977 514 K CA -0.013 56.123 56.287 -0.251 0.000 0.900 514 K CB 1.719 34.009 32.500 -0.351 0.000 1.060 514 K HN 0.399 nan 8.250 nan 0.000 0.449 515 A N 3.039 125.642 122.820 -0.361 0.000 2.355 515 A HA 0.676 4.996 4.320 -0.001 0.000 0.317 515 A C -1.403 176.023 177.584 -0.263 0.000 1.094 515 A CA -0.750 51.147 52.037 -0.233 0.000 0.764 515 A CB 0.386 19.342 19.000 -0.073 0.000 1.230 515 A HN 0.578 nan 8.150 nan 0.000 0.448 516 F N -0.020 120.056 119.950 0.210 0.000 2.557 516 F HA 0.590 5.116 4.527 -0.001 0.000 0.336 516 F C 0.615 176.574 175.800 0.265 0.000 1.058 516 F CA -0.632 57.519 58.000 0.252 0.000 0.988 516 F CB 1.572 40.779 39.000 0.345 0.000 1.275 516 F HN 0.573 nan 8.300 nan 0.000 0.488 517 Q N 1.244 121.316 119.800 0.452 0.000 2.314 517 Q HA 0.339 4.678 4.340 -0.001 0.000 0.259 517 Q C -1.702 174.487 176.000 0.315 0.000 0.951 517 Q CA -0.621 55.314 55.803 0.220 0.000 0.909 517 Q CB 0.697 29.443 28.738 0.014 0.000 1.236 517 Q HN 0.444 nan 8.270 nan 0.000 0.444 518 F N 3.410 123.344 119.950 -0.026 0.000 2.404 518 F HA 0.203 4.730 4.527 -0.001 0.000 0.359 518 F C 0.662 176.292 175.800 -0.284 0.000 1.134 518 F CA -0.786 57.061 58.000 -0.254 0.000 1.160 518 F CB 0.354 39.013 39.000 -0.568 0.000 1.186 518 F HN 0.490 nan 8.300 nan 0.000 0.526 519 E N 4.111 124.230 120.200 -0.134 0.000 2.568 519 E HA -0.082 4.268 4.350 -0.001 0.000 0.262 519 E C 0.547 176.962 176.600 -0.309 0.000 0.961 519 E CA 0.399 56.684 56.400 -0.192 0.000 0.945 519 E CB 0.319 29.928 29.700 -0.152 0.000 0.924 519 E HN 0.513 nan 8.360 nan 0.000 0.467 520 R N 1.692 122.080 120.500 -0.186 0.000 3.953 520 R HA -0.234 4.105 4.340 -0.001 0.000 0.340 520 R C 0.217 176.434 176.300 -0.138 0.000 1.195 520 R CA 0.882 56.901 56.100 -0.134 0.000 0.929 520 R CB -1.081 29.193 30.300 -0.042 0.000 1.402 520 R HN 0.572 nan 8.270 nan 0.000 0.540 521 E N -0.983 119.148 120.200 -0.115 0.000 3.203 521 E HA 0.289 4.639 4.350 -0.001 0.000 0.200 521 E C 0.964 177.659 176.600 0.158 0.000 1.089 521 E CA 1.212 57.633 56.400 0.036 0.000 1.430 521 E CB 0.976 30.688 29.700 0.018 0.000 1.328 521 E HN 0.389 nan 8.360 nan 0.000 0.580 522 G N 0.004 108.926 108.800 0.203 0.000 2.324 522 G HA2 0.265 4.225 3.960 -0.001 0.000 0.293 522 G HA3 0.265 4.225 3.960 -0.001 0.000 0.293 522 G C -1.952 172.887 174.900 -0.101 0.000 1.297 522 G CA -0.974 44.112 45.100 -0.024 0.000 0.853 522 G HN -0.014 nan 8.290 nan 0.000 0.535 523 Y N 0.026 120.260 120.300 -0.111 0.000 2.350 523 Y HA 0.687 5.236 4.550 -0.001 0.000 0.340 523 Y C 0.018 175.712 175.900 -0.343 0.000 1.006 523 Y CA -0.218 57.828 58.100 -0.091 0.000 1.166 523 Y CB 0.973 39.359 38.460 -0.123 0.000 1.168 523 Y HN 0.358 nan 8.280 nan 0.000 0.502 524 F N 2.065 121.900 119.950 -0.192 0.000 2.556 524 F HA 0.717 5.243 4.527 -0.001 0.000 0.327 524 F C -0.106 175.692 175.800 -0.003 0.000 1.059 524 F CA -1.539 56.312 58.000 -0.248 0.000 0.953 524 F CB 1.552 40.006 39.000 -0.910 0.000 1.227 524 F HN 0.532 nan 8.300 nan 0.000 0.478 525 C N 1.308 120.734 119.300 0.212 0.000 2.783 525 C HA 0.689 5.148 4.460 -0.001 0.000 0.312 525 C C -0.713 174.279 174.990 0.003 0.000 1.182 525 C CA -1.285 57.803 59.018 0.118 0.000 1.432 525 C CB 0.610 28.352 27.740 0.003 0.000 1.933 525 C HN 0.878 nan 8.230 nan 0.000 0.473 526 L N 3.408 124.508 121.223 -0.205 0.000 2.745 526 L HA 0.159 4.499 4.340 -0.001 0.000 0.273 526 L C 0.704 177.438 176.870 -0.226 0.000 1.156 526 L CA 1.001 55.507 54.840 -0.556 0.000 0.982 526 L CB -0.550 41.264 42.059 -0.408 0.000 1.295 526 L HN 0.874 nan 8.230 nan 0.000 0.483 527 D N 3.348 123.663 120.400 -0.142 0.000 2.518 527 D HA -0.153 4.487 4.640 -0.001 0.000 0.270 527 D C 0.370 176.643 176.300 -0.044 0.000 1.338 527 D CA 0.470 54.465 54.000 -0.010 0.000 0.983 527 D CB 0.438 41.305 40.800 0.112 0.000 1.126 527 D HN 0.572 nan 8.370 nan 0.000 0.543 528 S N 3.721 119.386 115.700 -0.058 0.000 3.870 528 S HA 0.095 4.565 4.470 -0.001 0.000 0.198 528 S C 1.022 175.577 174.600 -0.075 0.000 1.336 528 S CA -0.165 57.996 58.200 -0.064 0.000 1.049 528 S CB -0.322 62.838 63.200 -0.066 0.000 1.412 528 S HN 0.500 nan 8.310 nan 0.000 0.448 529 R N -0.491 119.959 120.500 -0.083 0.000 2.700 529 R HA 0.262 4.601 4.340 -0.001 0.000 0.151 529 R C 1.193 177.355 176.300 -0.230 0.000 0.918 529 R CA 0.259 56.252 56.100 -0.178 0.000 1.891 529 R CB 0.023 30.164 30.300 -0.265 0.000 1.667 529 R HN 0.445 nan 8.270 nan 0.000 0.523 530 H N -0.562 118.517 119.070 0.014 0.000 2.695 530 H HA 0.314 4.870 4.556 -0.001 0.000 0.267 530 H C -0.099 175.238 175.328 0.016 0.000 0.973 530 H CA 0.831 56.890 56.048 0.019 0.000 1.223 530 H CB 0.444 30.225 29.762 0.031 0.000 1.442 530 H HN 0.075 nan 8.280 nan 0.000 0.478 531 S N 2.902 118.678 115.700 0.127 0.000 2.752 531 S HA 0.029 4.499 4.470 -0.001 0.000 0.329 531 S C 0.999 175.631 174.600 0.053 0.000 1.204 531 S CA -0.079 58.164 58.200 0.073 0.000 1.252 531 S CB -0.371 62.836 63.200 0.012 0.000 1.053 531 S HN 0.401 nan 8.310 nan 0.000 0.533 532 T N 0.096 114.686 114.554 0.061 0.000 2.770 532 T HA 0.602 4.952 4.350 -0.001 0.000 0.281 532 T C 1.472 176.201 174.700 0.047 0.000 0.981 532 T CA -0.435 61.694 62.100 0.048 0.000 0.955 532 T CB 0.675 69.570 68.868 0.045 0.000 1.060 532 T HN 0.646 nan 8.240 nan 0.000 0.531 533 A N 0.134 122.979 122.820 0.042 0.000 2.014 533 A HA 0.059 4.378 4.320 -0.001 0.000 0.218 533 A C 2.057 179.670 177.584 0.049 0.000 1.163 533 A CA 1.308 53.373 52.037 0.046 0.000 0.652 533 A CB -0.855 18.168 19.000 0.039 0.000 0.808 533 A HN 0.901 nan 8.150 nan 0.000 0.449 534 E N -0.265 119.961 120.200 0.044 0.000 2.030 534 E HA 0.047 4.396 4.350 -0.001 0.000 0.189 534 E C 0.942 177.568 176.600 0.043 0.000 0.974 534 E CA 1.098 57.522 56.400 0.040 0.000 0.807 534 E CB -0.021 29.698 29.700 0.032 0.000 0.771 534 E HN 0.292 nan 8.360 nan 0.000 0.451 535 K N 1.633 122.059 120.400 0.042 0.000 2.356 535 K HA 0.269 4.588 4.320 -0.001 0.000 0.243 535 K C -2.773 173.871 176.600 0.073 0.000 1.072 535 K CA -2.870 53.442 56.287 0.042 0.000 1.014 535 K CB 0.811 33.322 32.500 0.019 0.000 1.523 535 K HN -0.144 nan 8.250 nan 0.000 0.455 536 P HA 0.009 nan 4.420 nan 0.000 0.268 536 P C -1.029 176.405 177.300 0.223 0.000 1.205 536 P CA -0.342 62.862 63.100 0.174 0.000 0.771 536 P CB 0.931 32.817 31.700 0.311 0.000 0.858 537 V N 4.438 124.464 119.914 0.187 0.000 2.487 537 V HA 0.442 4.561 4.120 -0.001 0.000 0.298 537 V C -0.450 175.787 176.094 0.237 0.000 1.028 537 V CA -0.309 62.125 62.300 0.223 0.000 0.860 537 V CB 0.997 32.921 31.823 0.168 0.000 0.991 537 V HN 0.354 nan 8.190 nan 0.000 0.427 538 F N 2.565 122.611 119.950 0.161 0.000 2.508 538 F HA 0.562 5.088 4.527 -0.001 0.000 0.325 538 F C 0.414 176.361 175.800 0.246 0.000 1.090 538 F CA -0.764 57.367 58.000 0.218 0.000 0.945 538 F CB 1.929 41.092 39.000 0.272 0.000 1.156 538 F HN 0.362 nan 8.300 nan 0.000 0.463 539 N N 2.010 120.934 118.700 0.373 0.000 2.421 539 N HA 0.249 4.989 4.740 -0.001 0.000 0.285 539 N C -0.625 174.949 175.510 0.108 0.000 1.027 539 N CA -0.576 52.671 53.050 0.329 0.000 0.918 539 N CB 1.603 40.225 38.487 0.226 0.000 1.152 539 N HN 0.523 nan 8.380 nan 0.000 0.485 540 R N 1.806 122.272 120.500 -0.057 0.000 2.210 540 R HA 0.174 4.514 4.340 -0.001 0.000 0.338 540 R C 0.435 176.551 176.300 -0.307 0.000 1.062 540 R CA -0.064 55.577 56.100 -0.765 0.000 0.902 540 R CB 0.286 30.128 30.300 -0.764 0.000 1.050 540 R HN 0.500 nan 8.270 nan 0.000 0.461 541 T N 2.150 116.505 114.554 -0.332 0.000 2.639 541 T HA -0.067 4.283 4.350 -0.001 0.000 0.261 541 T C 0.356 174.964 174.700 -0.154 0.000 1.053 541 T CA 1.078 63.062 62.100 -0.193 0.000 1.158 541 T CB 0.065 68.793 68.868 -0.233 0.000 0.863 541 T HN 0.387 nan 8.240 nan 0.000 0.413 542 V N 0.004 119.825 119.914 -0.155 0.000 2.969 542 V HA 0.703 4.823 4.120 -0.001 0.000 0.304 542 V C -0.308 175.759 176.094 -0.045 0.000 1.192 542 V CA -0.639 61.623 62.300 -0.063 0.000 0.962 542 V CB 1.730 33.532 31.823 -0.034 0.000 1.045 542 V HN 0.488 nan 8.190 nan 0.000 0.428 543 G N 3.916 112.695 108.800 -0.037 0.000 2.580 543 G HA2 0.542 4.501 3.960 -0.001 0.000 0.278 543 G HA3 0.542 4.501 3.960 -0.001 0.000 0.278 543 G C -0.686 174.223 174.900 0.015 0.000 1.212 543 G CA -0.603 44.479 45.100 -0.029 0.000 0.939 543 G HN 0.674 nan 8.290 nan 0.000 0.513 544 L N -0.577 120.638 121.223 -0.013 0.000 2.475 544 L HA 0.361 4.701 4.340 -0.001 0.000 0.253 544 L C 1.303 178.193 176.870 0.033 0.000 1.198 544 L CA -0.371 54.472 54.840 0.005 0.000 0.814 544 L CB 0.791 42.822 42.059 -0.047 0.000 1.134 544 L HN 0.589 nan 8.230 nan 0.000 0.478 545 R N 1.156 121.685 120.500 0.048 0.000 2.370 545 R HA 0.168 4.508 4.340 -0.001 0.000 0.309 545 R C -1.201 175.119 176.300 0.033 0.000 1.059 545 R CA -0.111 56.016 56.100 0.045 0.000 0.981 545 R CB 0.116 30.446 30.300 0.051 0.000 0.972 545 R HN 0.582 nan 8.270 nan 0.000 0.437 546 D N 3.345 123.764 120.400 0.031 0.000 2.549 546 D HA 0.288 4.928 4.640 -0.001 0.000 0.251 546 D C -1.121 175.196 176.300 0.029 0.000 1.153 546 D CA -0.235 53.782 54.000 0.027 0.000 0.861 546 D CB 1.510 42.326 40.800 0.026 0.000 1.207 546 D HN 0.624 nan 8.370 nan 0.000 0.543 547 T N 0.000 114.571 114.554 0.028 0.000 3.816 547 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 547 T CA 0.000 62.117 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