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 3ifh_1_6 DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 3 G C 0.000 174.871 174.900 -0.048 0.000 0.946 3 G CA 0.000 45.064 45.100 -0.059 0.000 0.502 4 S N 1.060 116.730 115.700 -0.051 0.000 2.618 4 S HA 0.634 5.104 4.470 0.000 0.000 0.242 4 S C 0.527 175.106 174.600 -0.035 0.000 0.972 4 S CA -0.267 57.910 58.200 -0.038 0.000 1.004 4 S CB -0.403 62.776 63.200 -0.035 0.000 0.778 4 S HN 0.367 nan 8.310 nan 0.000 0.459 5 M N 0.127 119.702 119.600 -0.040 0.000 2.550 5 M HA 0.470 4.950 4.480 0.000 0.000 0.292 5 M C -0.034 176.248 176.300 -0.030 0.000 1.221 5 M CA -0.742 54.536 55.300 -0.037 0.000 0.873 5 M CB 2.106 34.674 32.600 -0.052 0.000 1.727 5 M HN -0.181 nan 8.290 nan 0.000 0.459 6 K N 0.245 120.633 120.400 -0.020 0.000 2.211 6 K HA -0.065 4.255 4.320 0.000 0.000 0.203 6 K C 0.133 176.725 176.600 -0.013 0.000 1.050 6 K CA 1.117 57.396 56.287 -0.012 0.000 0.945 6 K CB 0.073 32.571 32.500 -0.004 0.000 0.732 6 K HN 0.478 nan 8.250 nan 0.000 0.451 7 D N -0.687 119.702 120.400 -0.018 0.000 2.400 7 D HA 0.172 4.812 4.640 0.000 0.000 0.272 7 D C -2.355 173.907 176.300 -0.063 0.000 1.220 7 D CA -2.321 51.667 54.000 -0.020 0.000 0.897 7 D CB 1.064 41.875 40.800 0.018 0.000 1.134 7 D HN -0.190 nan 8.370 nan 0.000 0.507 8 P HA -0.045 nan 4.420 nan 0.000 0.231 8 P C 0.761 177.951 177.300 -0.182 0.000 1.158 8 P CA 0.612 63.643 63.100 -0.116 0.000 0.763 8 P CB 0.156 31.801 31.700 -0.091 0.000 0.805 9 S N -1.613 113.957 115.700 -0.217 0.000 2.631 9 S HA 0.130 4.600 4.470 0.000 0.000 0.217 9 S C 1.442 175.628 174.600 -0.690 0.000 0.958 9 S CA 0.073 58.029 58.200 -0.407 0.000 0.920 9 S CB -0.997 61.992 63.200 -0.353 0.000 0.776 9 S HN 0.132 nan 8.310 nan 0.000 0.517 10 L N 0.184 121.169 121.223 -0.396 0.000 2.341 10 L HA 0.278 4.618 4.340 0.000 0.000 0.214 10 L C 0.655 177.347 176.870 -0.297 0.000 1.115 10 L CA 0.242 54.894 54.840 -0.314 0.000 0.820 10 L CB -0.091 41.922 42.059 -0.077 0.000 0.944 10 L HN 0.315 nan 8.230 nan 0.000 0.452 11 L N 1.998 123.031 121.223 -0.317 0.000 2.334 11 L HA 0.215 4.555 4.340 0.000 0.000 0.286 11 L C 0.123 176.743 176.870 -0.417 0.000 1.108 11 L CA 0.115 54.741 54.840 -0.357 0.000 0.875 11 L CB -0.211 41.614 42.059 -0.390 0.000 1.246 11 L HN 0.018 nan 8.230 nan 0.000 0.439 12 R N 3.678 123.972 120.500 -0.343 0.000 2.573 12 R HA 0.395 4.735 4.340 0.000 0.000 0.272 12 R C -0.126 175.982 176.300 -0.320 0.000 1.009 12 R CA -0.517 55.371 56.100 -0.353 0.000 1.059 12 R CB 0.694 30.778 30.300 -0.361 0.000 1.112 12 R HN 0.588 nan 8.270 nan 0.000 0.517 13 H N 0.087 119.173 119.070 0.027 0.000 2.750 13 H HA 0.288 4.844 4.556 0.000 0.000 0.252 13 H C -0.260 175.098 175.328 0.051 0.000 1.176 13 H CA -0.078 56.007 56.048 0.063 0.000 0.987 13 H CB 1.519 31.297 29.762 0.027 0.000 1.810 13 H HN 0.386 nan 8.280 nan 0.000 0.630 14 Q N 0.309 120.233 119.800 0.207 0.000 2.451 14 Q HA 0.686 5.026 4.340 0.000 0.000 0.281 14 Q C -0.670 175.573 176.000 0.404 0.000 1.099 14 Q CA -0.965 55.009 55.803 0.286 0.000 0.806 14 Q CB 3.318 32.275 28.738 0.366 0.000 1.419 14 Q HN 0.266 nan 8.270 nan 0.000 0.427 15 A N 0.753 123.724 122.820 0.252 0.000 2.304 15 A HA 0.346 4.666 4.320 0.000 0.000 0.271 15 A C -1.496 176.113 177.584 0.042 0.000 1.091 15 A CA -0.027 52.105 52.037 0.157 0.000 0.812 15 A CB 0.286 19.320 19.000 0.057 0.000 1.056 15 A HN 0.653 nan 8.150 nan 0.000 0.489 16 Y N 2.400 122.486 120.300 -0.357 0.000 2.417 16 Y HA 0.492 5.042 4.550 0.000 0.000 0.336 16 Y C -0.698 174.963 175.900 -0.398 0.000 0.961 16 Y CA -1.121 56.540 58.100 -0.733 0.000 1.215 16 Y CB 0.712 38.546 38.460 -1.043 0.000 1.120 16 Y HN 0.407 nan 8.280 nan 0.000 0.499 17 I N 5.800 126.026 120.570 -0.573 0.000 2.390 17 I HA 0.275 4.445 4.170 0.000 0.000 0.283 17 I C 0.977 176.793 176.117 -0.502 0.000 1.016 17 I CA -0.517 60.542 61.300 -0.401 0.000 1.151 17 I CB 0.908 38.777 38.000 -0.218 0.000 1.293 17 I HN 0.917 nan 8.210 nan 0.000 0.458 18 G N 4.811 113.324 108.800 -0.477 0.000 2.379 18 G HA2 -0.145 3.815 3.960 0.000 0.000 0.297 18 G HA3 -0.145 3.815 3.960 0.000 0.000 0.297 18 G C 1.020 175.626 174.900 -0.489 0.000 1.004 18 G CA 0.988 45.849 45.100 -0.399 0.000 0.921 18 G HN 1.499 nan 8.290 nan 0.000 0.511 19 G N -1.812 106.440 108.800 -0.913 0.000 2.238 19 G HA2 -0.174 3.786 3.960 0.000 0.000 0.217 19 G HA3 -0.174 3.786 3.960 0.000 0.000 0.217 19 G C 0.072 174.599 174.900 -0.622 0.000 0.996 19 G CA 0.575 45.243 45.100 -0.720 0.000 0.632 19 G HN 0.911 nan 8.290 nan 0.000 0.503 20 E N -0.734 119.093 120.200 -0.622 0.000 2.202 20 E HA 0.501 4.851 4.350 0.000 0.000 0.272 20 E C -0.884 175.504 176.600 -0.354 0.000 0.951 20 E CA -1.051 55.170 56.400 -0.299 0.000 0.813 20 E CB 1.051 30.663 29.700 -0.147 0.000 1.151 20 E HN 0.272 nan 8.360 nan 0.000 0.398 21 W N 2.507 123.852 121.300 0.074 0.000 2.387 21 W HA 0.207 4.867 4.660 0.000 0.000 0.310 21 W C 0.197 176.750 176.519 0.057 0.000 1.181 21 W CA -0.210 57.212 57.345 0.127 0.000 1.333 21 W CB 0.628 30.195 29.460 0.178 0.000 1.286 21 W HN 0.236 nan 8.180 nan 0.000 0.455 22 Q N 2.145 122.065 119.800 0.201 0.000 2.413 22 Q HA 0.783 5.123 4.340 0.000 0.000 0.276 22 Q C -0.321 175.747 176.000 0.112 0.000 1.099 22 Q CA -1.077 54.792 55.803 0.110 0.000 0.814 22 Q CB 2.429 31.178 28.738 0.019 0.000 1.379 22 Q HN 0.528 nan 8.270 nan 0.000 0.436 23 A N 0.806 123.674 122.820 0.079 0.000 2.242 23 A HA 0.803 5.123 4.320 0.000 0.000 0.304 23 A C -0.372 177.237 177.584 0.041 0.000 1.100 23 A CA -0.247 51.826 52.037 0.060 0.000 0.860 23 A CB 0.467 19.497 19.000 0.049 0.000 1.168 23 A HN 0.772 nan 8.150 nan 0.000 0.503 24 A N -0.212 122.630 122.820 0.037 0.000 2.483 24 A HA 0.303 4.623 4.320 0.000 0.000 0.238 24 A C 0.596 178.196 177.584 0.026 0.000 1.070 24 A CA 0.252 52.309 52.037 0.033 0.000 0.770 24 A CB -0.215 18.811 19.000 0.042 0.000 1.008 24 A HN 0.774 nan 8.150 nan 0.000 0.497 25 D N 0.626 121.038 120.400 0.020 0.000 2.271 25 D HA -0.122 4.518 4.640 0.000 0.000 0.207 25 D C 1.777 178.087 176.300 0.016 0.000 0.983 25 D CA 2.194 56.203 54.000 0.014 0.000 0.878 25 D CB 0.030 40.835 40.800 0.009 0.000 0.920 25 D HN 0.605 nan 8.370 nan 0.000 0.479 26 S N -1.363 114.350 115.700 0.021 0.000 2.593 26 S HA 0.153 4.623 4.470 0.000 0.000 0.236 26 S C 0.528 175.143 174.600 0.024 0.000 0.991 26 S CA 0.136 58.349 58.200 0.021 0.000 0.963 26 S CB 0.782 63.996 63.200 0.023 0.000 0.865 26 S HN -0.010 nan 8.310 nan 0.000 0.488 27 D N 0.822 121.237 120.400 0.026 0.000 3.067 27 D HA -0.200 4.440 4.640 0.000 0.000 0.216 27 D C 0.355 176.672 176.300 0.029 0.000 1.162 27 D CA 0.967 54.982 54.000 0.025 0.000 0.960 27 D CB -1.440 39.372 40.800 0.020 0.000 1.129 27 D HN 0.886 nan 8.370 nan 0.000 0.408 28 A N -0.159 122.684 122.820 0.039 0.000 2.531 28 A HA 0.490 4.810 4.320 0.000 0.000 0.236 28 A C 0.910 178.531 177.584 0.061 0.000 1.062 28 A CA 1.003 53.073 52.037 0.055 0.000 0.760 28 A CB 0.372 19.412 19.000 0.066 0.000 0.995 28 A HN 0.591 nan 8.150 nan 0.000 0.501 29 T N -0.938 113.658 114.554 0.070 0.000 2.865 29 T HA 0.786 5.136 4.350 0.000 0.000 0.294 29 T C -0.562 174.223 174.700 0.141 0.000 1.119 29 T CA -0.427 61.695 62.100 0.037 0.000 1.007 29 T CB 1.374 70.228 68.868 -0.023 0.000 1.225 29 T HN 1.437 nan 8.240 nan 0.000 0.515 30 F N -1.431 118.516 119.950 -0.005 0.000 2.626 30 F HA 0.866 5.393 4.527 0.000 0.000 0.311 30 F C -0.648 175.122 175.800 -0.049 0.000 1.088 30 F CA -1.251 56.742 58.000 -0.012 0.000 0.949 30 F CB 1.460 40.458 39.000 -0.002 0.000 1.322 30 F HN 0.747 nan 8.300 nan 0.000 0.461 31 E N 1.030 121.286 120.200 0.094 0.000 2.248 31 E HA 0.653 5.003 4.350 0.000 0.000 0.272 31 E C -1.506 174.950 176.600 -0.240 0.000 1.008 31 E CA -1.084 55.200 56.400 -0.192 0.000 0.856 31 E CB 2.175 31.676 29.700 -0.333 0.000 1.120 31 E HN 0.594 nan 8.360 nan 0.000 0.397 32 V N 3.967 123.677 119.914 -0.340 0.000 2.459 32 V HA 0.402 4.522 4.120 0.000 0.000 0.295 32 V C -0.843 175.040 176.094 -0.351 0.000 1.029 32 V CA -0.635 61.564 62.300 -0.168 0.000 0.874 32 V CB 0.825 32.702 31.823 0.091 0.000 0.985 32 V HN 0.511 nan 8.190 nan 0.000 0.438 33 F N 1.567 121.580 119.950 0.104 0.000 2.492 33 F HA 0.420 4.947 4.527 0.000 0.000 0.327 33 F C 0.485 176.296 175.800 0.018 0.000 1.079 33 F CA -0.874 57.153 58.000 0.045 0.000 0.967 33 F CB 1.170 40.175 39.000 0.007 0.000 1.169 33 F HN 0.440 nan 8.300 nan 0.000 0.472 34 D N 4.334 124.840 120.400 0.177 0.000 2.417 34 D HA 0.069 4.709 4.640 0.000 0.000 0.250 34 D C -1.635 174.671 176.300 0.010 0.000 1.166 34 D CA -1.488 52.554 54.000 0.069 0.000 0.881 34 D CB 1.537 42.359 40.800 0.037 0.000 1.164 34 D HN 0.205 nan 8.370 nan 0.000 0.467 35 P HA 0.037 nan 4.420 nan 0.000 0.241 35 P C 0.529 177.725 177.300 -0.174 0.000 1.191 35 P CA 0.290 63.325 63.100 -0.109 0.000 0.771 35 P CB 0.441 32.062 31.700 -0.131 0.000 0.929 36 A N 0.240 122.991 122.820 -0.114 0.000 2.014 36 A HA 0.052 4.372 4.320 0.000 0.000 0.210 36 A C 2.020 179.661 177.584 0.095 0.000 1.188 36 A CA 1.732 53.781 52.037 0.020 0.000 0.731 36 A CB -0.963 18.139 19.000 0.169 0.000 0.858 36 A HN 0.320 nan 8.150 nan 0.000 0.464 37 T N -6.194 108.291 114.554 -0.116 0.000 2.955 37 T HA 0.429 4.779 4.350 0.000 0.000 0.251 37 T C 1.501 175.955 174.700 -0.410 0.000 1.002 37 T CA 1.147 63.157 62.100 -0.149 0.000 0.970 37 T CB 0.478 69.351 68.868 0.009 0.000 1.091 37 T HN 1.630 nan 8.240 nan 0.000 0.495 38 G N 2.457 111.028 108.800 -0.383 0.000 2.225 38 G HA2 -0.278 3.682 3.960 0.000 0.000 0.254 38 G HA3 -0.278 3.682 3.960 0.000 0.000 0.254 38 G C -0.007 174.911 174.900 0.030 0.000 0.988 38 G CA 0.306 45.249 45.100 -0.262 0.000 0.625 38 G HN 1.025 nan 8.290 nan 0.000 0.527 39 E N 0.625 120.868 120.200 0.072 0.000 2.392 39 E HA 0.505 4.855 4.350 0.000 0.000 0.256 39 E C 0.064 176.812 176.600 0.246 0.000 1.145 39 E CA 0.112 56.603 56.400 0.151 0.000 0.929 39 E CB 0.936 30.682 29.700 0.077 0.000 0.998 39 E HN 0.232 nan 8.360 nan 0.000 0.442 40 S N -0.257 115.556 115.700 0.188 0.000 2.523 40 S HA 0.310 4.780 4.470 0.000 0.000 0.275 40 S C 0.417 175.001 174.600 -0.027 0.000 1.281 40 S CA -0.148 58.070 58.200 0.030 0.000 1.050 40 S CB 0.424 63.625 63.200 0.002 0.000 0.937 40 S HN 0.569 nan 8.310 nan 0.000 0.492 41 L N 3.179 124.360 121.223 -0.069 0.000 2.769 41 L HA 0.706 5.046 4.340 0.000 0.000 0.240 41 L C 1.186 178.077 176.870 0.034 0.000 1.163 41 L CA 0.486 55.300 54.840 -0.044 0.000 0.962 41 L CB -1.425 40.611 42.059 -0.038 0.000 1.258 41 L HN 1.273 nan 8.230 nan 0.000 0.513 42 G N -0.955 107.851 108.800 0.010 0.000 2.447 42 G HA2 0.325 4.285 3.960 0.000 0.000 0.220 42 G HA3 0.325 4.285 3.960 0.000 0.000 0.220 42 G C -0.033 174.899 174.900 0.054 0.000 1.261 42 G CA 0.351 45.478 45.100 0.044 0.000 1.000 42 G HN 1.795 nan 8.290 nan 0.000 0.515 43 T N -2.505 112.095 114.554 0.077 0.000 2.942 43 T HA 0.950 5.300 4.350 0.000 0.000 0.289 43 T C 0.130 174.824 174.700 -0.011 0.000 1.044 43 T CA 0.156 62.233 62.100 -0.039 0.000 1.023 43 T CB 1.705 70.519 68.868 -0.090 0.000 1.123 43 T HN 2.265 nan 8.240 nan 0.000 0.512 44 V N -2.667 117.038 119.914 -0.350 0.000 3.078 44 V HA 0.797 4.917 4.120 0.000 0.000 0.311 44 V C -3.197 172.673 176.094 -0.374 0.000 1.138 44 V CA -3.165 58.905 62.300 -0.383 0.000 1.007 44 V CB 1.349 32.795 31.823 -0.629 0.000 1.045 44 V HN 0.768 nan 8.190 nan 0.000 0.432 45 P HA 0.245 nan 4.420 nan 0.000 0.269 45 P C -1.064 176.253 177.300 0.029 0.000 1.209 45 P CA -0.100 62.972 63.100 -0.046 0.000 0.776 45 P CB 0.410 32.120 31.700 0.017 0.000 0.876 46 K N 3.591 124.069 120.400 0.130 0.000 2.419 46 K HA 0.349 4.669 4.320 0.000 0.000 0.244 46 K C -0.452 176.225 176.600 0.129 0.000 1.045 46 K CA -0.224 56.209 56.287 0.244 0.000 1.004 46 K CB -0.114 32.571 32.500 0.307 0.000 1.376 46 K HN 0.435 nan 8.250 nan 0.000 0.460 47 M N 1.095 120.760 119.600 0.108 0.000 2.494 47 M HA 0.451 4.931 4.480 0.000 0.000 0.300 47 M C 0.757 177.085 176.300 0.047 0.000 1.189 47 M CA -0.568 54.769 55.300 0.061 0.000 0.982 47 M CB 1.716 34.343 32.600 0.045 0.000 1.534 47 M HN 0.657 nan 8.290 nan 0.000 0.488 48 G N -0.643 108.173 108.800 0.027 0.000 3.291 48 G HA2 0.583 4.543 3.960 0.000 0.000 0.173 48 G HA3 0.583 4.543 3.960 0.000 0.000 0.173 48 G C 0.462 175.365 174.900 0.005 0.000 1.099 48 G CA 0.158 45.267 45.100 0.015 0.000 0.794 48 G HN 0.730 nan 8.290 nan 0.000 0.651 49 A N -0.275 122.545 122.820 -0.001 0.000 1.898 49 A HA 0.277 4.598 4.320 0.000 0.000 0.216 49 A C 2.712 180.291 177.584 -0.008 0.000 1.181 49 A CA 2.744 54.777 52.037 -0.007 0.000 0.620 49 A CB -1.090 17.905 19.000 -0.008 0.000 0.819 49 A HN 1.370 nan 8.150 nan 0.000 0.442 50 A N 0.126 122.943 122.820 -0.005 0.000 1.865 50 A HA -0.201 4.119 4.320 0.000 0.000 0.217 50 A C 1.890 179.467 177.584 -0.013 0.000 1.191 50 A CA 2.070 54.102 52.037 -0.008 0.000 0.623 50 A CB -0.635 18.363 19.000 -0.004 0.000 0.826 50 A HN 0.536 nan 8.150 nan 0.000 0.444 51 E N -0.534 119.659 120.200 -0.011 0.000 2.106 51 E HA -0.066 4.284 4.350 0.000 0.000 0.192 51 E C 2.051 178.635 176.600 -0.028 0.000 0.984 51 E CA 1.567 57.955 56.400 -0.019 0.000 0.806 51 E CB -0.579 29.115 29.700 -0.011 0.000 0.750 51 E HN 0.604 nan 8.360 nan 0.000 0.458 52 T N 0.657 115.199 114.554 -0.019 0.000 2.746 52 T HA -0.154 4.196 4.350 0.000 0.000 0.267 52 T C 2.002 176.683 174.700 -0.031 0.000 1.039 52 T CA 1.272 63.358 62.100 -0.024 0.000 1.142 52 T CB -0.350 68.509 68.868 -0.015 0.000 0.866 52 T HN 0.291 nan 8.240 nan 0.000 0.444 53 A N 1.909 124.714 122.820 -0.026 0.000 1.902 53 A HA -0.099 4.221 4.320 0.000 0.000 0.217 53 A C 2.411 179.975 177.584 -0.033 0.000 1.181 53 A CA 1.148 53.169 52.037 -0.027 0.000 0.623 53 A CB -0.463 18.525 19.000 -0.020 0.000 0.818 53 A HN 0.360 nan 8.150 nan 0.000 0.443 54 R N -0.534 119.944 120.500 -0.036 0.000 2.083 54 R HA -0.157 4.183 4.340 0.000 0.000 0.237 54 R C 2.488 178.750 176.300 -0.063 0.000 1.137 54 R CA 1.393 57.465 56.100 -0.046 0.000 0.951 54 R CB -0.561 29.708 30.300 -0.050 0.000 0.851 54 R HN 0.524 nan 8.270 nan 0.000 0.434 55 A N 1.159 123.936 122.820 -0.071 0.000 1.933 55 A HA -0.132 4.188 4.320 0.000 0.000 0.218 55 A C 2.181 179.718 177.584 -0.079 0.000 1.175 55 A CA 1.180 53.163 52.037 -0.091 0.000 0.628 55 A CB -0.439 18.507 19.000 -0.090 0.000 0.814 55 A HN 0.183 nan 8.150 nan 0.000 0.444 56 I N -0.613 119.921 120.570 -0.060 0.000 2.179 56 I HA -0.258 3.912 4.170 0.000 0.000 0.242 56 I C 2.476 178.567 176.117 -0.044 0.000 1.088 56 I CA 1.697 62.964 61.300 -0.055 0.000 1.357 56 I CB -0.395 37.578 38.000 -0.045 0.000 1.051 56 I HN 0.372 nan 8.210 nan 0.000 0.409 57 E N 0.758 120.937 120.200 -0.035 0.000 2.110 57 E HA -0.204 4.146 4.350 0.000 0.000 0.193 57 E C 2.308 178.895 176.600 -0.022 0.000 0.988 57 E CA 1.257 57.645 56.400 -0.020 0.000 0.804 57 E CB -0.176 29.514 29.700 -0.018 0.000 0.745 57 E HN 0.517 nan 8.360 nan 0.000 0.458 58 A N 1.231 124.023 122.820 -0.048 0.000 1.902 58 A HA -0.119 4.201 4.320 0.000 0.000 0.217 58 A C 2.387 179.941 177.584 -0.051 0.000 1.181 58 A CA 1.605 53.605 52.037 -0.062 0.000 0.623 58 A CB -0.716 18.220 19.000 -0.107 0.000 0.818 58 A HN 0.306 nan 8.150 nan 0.000 0.443 59 A N -0.883 121.899 122.820 -0.063 0.000 1.940 59 A HA -0.251 4.069 4.320 0.000 0.000 0.219 59 A C 2.187 179.779 177.584 0.013 0.000 1.176 59 A CA 1.882 53.882 52.037 -0.062 0.000 0.631 59 A CB -0.533 18.409 19.000 -0.097 0.000 0.814 59 A HN 0.682 nan 8.150 nan 0.000 0.446 60 Q N -0.850 118.971 119.800 0.035 0.000 2.083 60 Q HA -0.047 4.293 4.340 0.000 0.000 0.198 60 Q C 2.256 178.355 176.000 0.165 0.000 0.969 60 Q CA 1.223 57.100 55.803 0.124 0.000 0.838 60 Q CB -0.294 28.496 28.738 0.086 0.000 0.900 60 Q HN 0.611 nan 8.270 nan 0.000 0.436 61 A N 0.743 123.616 122.820 0.088 0.000 1.902 61 A HA -0.121 4.199 4.320 0.000 0.000 0.217 61 A C 2.216 179.858 177.584 0.095 0.000 1.181 61 A CA 1.689 53.770 52.037 0.073 0.000 0.623 61 A CB -0.833 18.184 19.000 0.029 0.000 0.818 61 A HN 0.522 nan 8.150 nan 0.000 0.443 62 A N -1.820 121.056 122.820 0.094 0.000 2.014 62 A HA -0.068 4.252 4.320 0.000 0.000 0.218 62 A C 1.836 179.570 177.584 0.250 0.000 1.163 62 A CA 1.376 53.481 52.037 0.114 0.000 0.652 62 A CB -0.743 18.273 19.000 0.028 0.000 0.808 62 A HN 0.799 nan 8.150 nan 0.000 0.449 63 W N 1.116 122.452 121.300 0.060 0.000 2.298 63 W HA -0.302 4.358 4.660 0.000 0.000 0.328 63 W C 2.491 179.096 176.519 0.144 0.000 1.259 63 W CA 2.109 59.525 57.345 0.119 0.000 1.251 63 W CB -0.997 28.511 29.460 0.079 0.000 1.161 63 W HN 0.378 nan 8.180 nan 0.000 0.466 64 A N 0.602 123.425 122.820 0.006 0.000 1.884 64 A HA -0.163 4.157 4.320 0.000 0.000 0.219 64 A C 2.346 179.894 177.584 -0.060 0.000 1.197 64 A CA 3.018 54.939 52.037 -0.192 0.000 0.637 64 A CB -1.707 17.212 19.000 -0.135 0.000 0.827 64 A HN 0.482 nan 8.150 nan 0.000 0.450 65 G N -1.753 107.077 108.800 0.050 0.000 2.446 65 G HA2 -0.309 3.651 3.960 0.000 0.000 0.217 65 G HA3 -0.309 3.651 3.960 0.000 0.000 0.217 65 G C 1.558 176.545 174.900 0.145 0.000 1.168 65 G CA 0.970 46.119 45.100 0.082 0.000 0.771 65 G HN 0.713 nan 8.290 nan 0.000 0.551 66 W N 2.567 123.892 121.300 0.041 0.000 2.379 66 W HA -0.118 4.542 4.660 0.000 0.000 0.307 66 W C 2.737 179.297 176.519 0.068 0.000 1.200 66 W CA 1.483 58.872 57.345 0.073 0.000 1.297 66 W CB 0.010 29.549 29.460 0.133 0.000 1.140 66 W HN 0.331 nan 8.180 nan 0.000 0.507 67 R N 0.248 120.795 120.500 0.078 0.000 2.235 67 R HA -0.130 4.210 4.340 0.000 0.000 0.213 67 R C 2.078 178.292 176.300 -0.145 0.000 1.059 67 R CA 1.327 57.388 56.100 -0.066 0.000 0.997 67 R CB -0.946 29.318 30.300 -0.060 0.000 0.884 67 R HN 0.224 nan 8.270 nan 0.000 0.462 68 M N 1.133 120.658 119.600 -0.125 0.000 2.419 68 M HA 0.049 4.529 4.480 0.000 0.000 0.264 68 M C 0.013 176.237 176.300 -0.127 0.000 1.082 68 M CA 0.953 56.185 55.300 -0.113 0.000 1.119 68 M CB 0.277 32.828 32.600 -0.081 0.000 1.398 68 M HN 0.051 nan 8.290 nan 0.000 0.453 69 K N 1.443 121.733 120.400 -0.182 0.000 2.380 69 K HA 0.035 4.355 4.320 0.000 0.000 0.267 69 K C 0.449 176.925 176.600 -0.206 0.000 0.990 69 K CA 0.124 56.284 56.287 -0.212 0.000 0.946 69 K CB 0.355 32.651 32.500 -0.340 0.000 0.937 69 K HN 0.246 nan 8.250 nan 0.000 0.491 70 T N -1.285 113.176 114.554 -0.155 0.000 2.860 70 T HA 0.190 4.540 4.350 0.000 0.000 0.299 70 T C 1.419 176.027 174.700 -0.153 0.000 1.045 70 T CA -0.312 61.712 62.100 -0.127 0.000 1.071 70 T CB 1.356 70.173 68.868 -0.085 0.000 0.985 70 T HN 0.571 nan 8.240 nan 0.000 0.537 71 A N 1.302 124.053 122.820 -0.114 0.000 1.892 71 A HA -0.154 4.166 4.320 0.000 0.000 0.218 71 A C 2.384 179.917 177.584 -0.085 0.000 1.188 71 A CA 2.157 54.135 52.037 -0.099 0.000 0.631 71 A CB -1.035 17.928 19.000 -0.061 0.000 0.822 71 A HN 0.979 nan 8.150 nan 0.000 0.447 72 K N -0.521 119.837 120.400 -0.070 0.000 2.063 72 K HA -0.208 4.112 4.320 0.000 0.000 0.208 72 K C 2.025 178.595 176.600 -0.050 0.000 1.048 72 K CA 1.869 58.125 56.287 -0.051 0.000 0.928 72 K CB -0.169 32.305 32.500 -0.044 0.000 0.713 72 K HN 0.677 nan 8.250 nan 0.000 0.442 73 E N -0.346 119.807 120.200 -0.078 0.000 2.072 73 E HA -0.156 4.194 4.350 0.000 0.000 0.191 73 E C 2.142 178.682 176.600 -0.101 0.000 0.985 73 E CA 0.915 57.266 56.400 -0.080 0.000 0.801 73 E CB 0.086 29.723 29.700 -0.104 0.000 0.750 73 E HN 0.241 nan 8.360 nan 0.000 0.452 74 R N 0.368 120.751 120.500 -0.194 0.000 2.092 74 R HA -0.028 4.312 4.340 0.000 0.000 0.231 74 R C 2.359 178.672 176.300 0.022 0.000 1.119 74 R CA 0.919 56.888 56.100 -0.218 0.000 0.970 74 R CB -0.219 29.825 30.300 -0.426 0.000 0.864 74 R HN 0.080 nan 8.270 nan 0.000 0.440 75 A N 1.420 124.244 122.820 0.007 0.000 1.940 75 A HA -0.137 4.183 4.320 0.000 0.000 0.219 75 A C 2.366 179.999 177.584 0.083 0.000 1.176 75 A CA 1.693 53.760 52.037 0.051 0.000 0.631 75 A CB -0.548 18.455 19.000 0.005 0.000 0.814 75 A HN 0.393 nan 8.150 nan 0.000 0.446 76 A N -0.040 122.817 122.820 0.062 0.000 1.877 76 A HA -0.102 4.218 4.320 0.000 0.000 0.216 76 A C 2.098 179.761 177.584 0.132 0.000 1.186 76 A CA 1.639 53.724 52.037 0.080 0.000 0.620 76 A CB -0.596 18.435 19.000 0.051 0.000 0.822 76 A HN 0.489 nan 8.150 nan 0.000 0.443 77 I N -0.417 120.248 120.570 0.160 0.000 2.202 77 I HA -0.241 3.929 4.170 0.000 0.000 0.242 77 I C 2.368 178.655 176.117 0.284 0.000 1.091 77 I CA 1.096 62.524 61.300 0.214 0.000 1.368 77 I CB -0.318 37.845 38.000 0.272 0.000 1.058 77 I HN 0.264 nan 8.210 nan 0.000 0.410 78 L N 0.070 121.486 121.223 0.321 0.000 2.083 78 L HA -0.212 4.128 4.340 0.000 0.000 0.209 78 L C 2.731 179.823 176.870 0.369 0.000 1.083 78 L CA 1.325 56.411 54.840 0.410 0.000 0.752 78 L CB -0.539 41.732 42.059 0.354 0.000 0.899 78 L HN 0.193 nan 8.230 nan 0.000 0.433 79 R N 0.101 120.759 120.500 0.263 0.000 2.092 79 R HA -0.119 4.221 4.340 0.000 0.000 0.231 79 R C 2.473 178.964 176.300 0.319 0.000 1.119 79 R CA 1.141 57.405 56.100 0.272 0.000 0.970 79 R CB -0.018 30.387 30.300 0.174 0.000 0.864 79 R HN 0.248 nan 8.270 nan 0.000 0.440 80 R N -0.882 119.774 120.500 0.259 0.000 2.092 80 R HA -0.179 4.161 4.340 0.000 0.000 0.231 80 R C 1.888 178.357 176.300 0.281 0.000 1.119 80 R CA 1.411 57.642 56.100 0.219 0.000 0.970 80 R CB -0.389 30.011 30.300 0.165 0.000 0.864 80 R HN 0.356 nan 8.270 nan 0.000 0.440 81 W N 1.106 122.482 121.300 0.127 0.000 2.388 81 W HA -0.197 4.463 4.660 0.000 0.000 0.294 81 W C 1.825 178.430 176.519 0.144 0.000 1.212 81 W CA 0.672 58.085 57.345 0.112 0.000 1.271 81 W CB -0.699 28.832 29.460 0.117 0.000 1.126 81 W HN 0.000 nan 8.180 nan 0.000 0.535 82 F N 1.869 121.848 119.950 0.049 0.000 2.134 82 F HA -0.202 4.325 4.527 0.000 0.000 0.299 82 F C 1.969 177.753 175.800 -0.026 0.000 1.097 82 F CA 2.508 60.456 58.000 -0.086 0.000 1.264 82 F CB -0.809 38.177 39.000 -0.025 0.000 1.001 82 F HN -0.268 nan 8.300 nan 0.000 0.479 83 D N 0.859 121.140 120.400 -0.199 0.000 2.104 83 D HA -0.182 4.458 4.640 0.000 0.000 0.194 83 D C 2.385 178.577 176.300 -0.180 0.000 0.994 83 D CA 1.797 55.637 54.000 -0.266 0.000 0.830 83 D CB -0.589 40.192 40.800 -0.033 0.000 0.959 83 D HN 0.361 nan 8.370 nan 0.000 0.452 84 L N 0.094 121.295 121.223 -0.036 0.000 2.201 84 L HA -0.107 4.233 4.340 0.000 0.000 0.212 84 L C 2.420 179.279 176.870 -0.020 0.000 1.105 84 L CA 0.336 55.187 54.840 0.018 0.000 0.775 84 L CB -0.133 42.002 42.059 0.127 0.000 0.913 84 L HN -0.057 nan 8.230 nan 0.000 0.440 85 V N -0.285 119.567 119.914 -0.103 0.000 2.379 85 V HA -0.242 3.878 4.120 0.000 0.000 0.245 85 V C 2.392 178.394 176.094 -0.155 0.000 1.044 85 V CA 1.239 63.462 62.300 -0.129 0.000 1.036 85 V CB -0.261 31.430 31.823 -0.221 0.000 0.664 85 V HN 0.261 nan 8.190 nan 0.000 0.453 86 I N 0.826 121.219 120.570 -0.295 0.000 2.179 86 I HA -0.206 3.964 4.170 0.000 0.000 0.242 86 I C 2.689 178.720 176.117 -0.142 0.000 1.088 86 I CA 2.039 63.180 61.300 -0.266 0.000 1.357 86 I CB -1.574 36.153 38.000 -0.456 0.000 1.051 86 I HN 0.317 nan 8.210 nan 0.000 0.409 87 A N 0.600 123.346 122.820 -0.123 0.000 1.969 87 A HA -0.129 4.191 4.320 0.000 0.000 0.218 87 A C 1.743 179.310 177.584 -0.027 0.000 1.169 87 A CA 1.304 53.305 52.037 -0.060 0.000 0.635 87 A CB -0.493 18.482 19.000 -0.042 0.000 0.810 87 A HN 0.480 nan 8.150 nan 0.000 0.445 88 N N -0.043 118.646 118.700 -0.017 0.000 2.279 88 N HA 0.002 4.742 4.740 0.000 0.000 0.226 88 N C 1.424 176.938 175.510 0.008 0.000 1.126 88 N CA 0.771 53.827 53.050 0.010 0.000 0.846 88 N CB 0.414 38.928 38.487 0.045 0.000 1.050 88 N HN 0.618 nan 8.380 nan 0.000 0.502 89 S N 0.767 116.462 115.700 -0.009 0.000 2.368 89 S HA -0.149 4.321 4.470 0.000 0.000 0.225 89 S C 1.374 175.981 174.600 0.012 0.000 1.030 89 S CA 1.124 59.324 58.200 0.000 0.000 0.999 89 S CB -0.059 63.135 63.200 -0.010 0.000 0.844 89 S HN 0.023 nan 8.310 nan 0.000 0.459 90 D N 1.873 122.277 120.400 0.007 0.000 2.104 90 D HA -0.059 4.581 4.640 0.000 0.000 0.194 90 D C 1.670 177.974 176.300 0.007 0.000 0.994 90 D CA 1.494 55.499 54.000 0.008 0.000 0.830 90 D CB -0.593 40.209 40.800 0.003 0.000 0.959 90 D HN 0.417 nan 8.370 nan 0.000 0.452 91 D N -0.307 120.097 120.400 0.006 0.000 2.123 91 D HA -0.033 4.607 4.640 0.000 0.000 0.200 91 D C 2.298 178.603 176.300 0.008 0.000 0.976 91 D CA 0.296 54.296 54.000 0.001 0.000 0.831 91 D CB -0.251 40.548 40.800 -0.000 0.000 0.974 91 D HN 0.186 nan 8.370 nan 0.000 0.469 92 L N 0.496 121.734 121.223 0.025 0.000 2.079 92 L HA -0.154 4.186 4.340 0.000 0.000 0.210 92 L C 2.380 179.275 176.870 0.042 0.000 1.081 92 L CA 1.113 55.978 54.840 0.042 0.000 0.752 92 L CB -0.380 41.713 42.059 0.056 0.000 0.896 92 L HN -0.007 nan 8.230 nan 0.000 0.433 93 A N -0.551 122.289 122.820 0.034 0.000 2.015 93 A HA -0.154 4.166 4.320 0.000 0.000 0.219 93 A C 2.136 179.734 177.584 0.024 0.000 1.163 93 A CA 1.166 53.224 52.037 0.035 0.000 0.646 93 A CB -0.348 18.671 19.000 0.032 0.000 0.806 93 A HN 0.308 nan 8.150 nan 0.000 0.448 94 L N -0.249 120.980 121.223 0.011 0.000 2.162 94 L HA 0.135 4.475 4.340 0.000 0.000 0.205 94 L C 2.086 178.949 176.870 -0.011 0.000 1.086 94 L CA 1.182 56.022 54.840 -0.001 0.000 0.778 94 L CB -0.510 41.541 42.059 -0.012 0.000 0.928 94 L HN 0.407 nan 8.230 nan 0.000 0.446 95 I N -1.111 119.450 120.570 -0.014 0.000 2.208 95 I HA -0.347 3.823 4.170 0.000 0.000 0.245 95 I C 2.453 178.586 176.117 0.027 0.000 1.097 95 I CA 1.376 62.662 61.300 -0.024 0.000 1.363 95 I CB -0.343 37.651 38.000 -0.011 0.000 1.051 95 I HN 0.264 nan 8.210 nan 0.000 0.413 96 L N 0.194 121.446 121.223 0.048 0.000 1.970 96 L HA -0.259 4.081 4.340 0.000 0.000 0.212 96 L C 2.713 179.610 176.870 0.045 0.000 1.071 96 L CA 1.953 56.831 54.840 0.063 0.000 0.751 96 L CB -0.456 41.639 42.059 0.059 0.000 0.889 96 L HN 0.226 nan 8.230 nan 0.000 0.432 97 T N -1.038 113.533 114.554 0.028 0.000 2.665 97 T HA -0.231 4.119 4.350 0.000 0.000 0.268 97 T C 1.706 176.420 174.700 0.023 0.000 1.035 97 T CA 2.099 64.212 62.100 0.022 0.000 1.151 97 T CB -0.413 68.467 68.868 0.021 0.000 0.862 97 T HN 0.462 nan 8.240 nan 0.000 0.438 98 T N 2.076 116.640 114.554 0.016 0.000 2.720 98 T HA -0.154 4.196 4.350 0.000 0.000 0.268 98 T C 1.988 176.707 174.700 0.031 0.000 1.037 98 T CA 1.728 63.834 62.100 0.009 0.000 1.144 98 T CB -0.291 68.560 68.868 -0.027 0.000 0.864 98 T HN 0.784 nan 8.240 nan 0.000 0.444 99 E N -0.081 120.157 120.200 0.063 0.000 2.340 99 E HA 0.035 4.385 4.350 0.000 0.000 0.194 99 E C 2.227 178.879 176.600 0.086 0.000 0.996 99 E CA 0.326 56.797 56.400 0.118 0.000 0.869 99 E CB -0.000 29.843 29.700 0.238 0.000 0.835 99 E HN 0.268 nan 8.360 nan 0.000 0.493 100 Q N -0.042 119.797 119.800 0.065 0.000 2.462 100 Q HA 0.114 4.454 4.340 0.000 0.000 0.224 100 Q C 1.272 177.274 176.000 0.004 0.000 0.911 100 Q CA 1.498 57.334 55.803 0.056 0.000 0.925 100 Q CB 1.220 30.008 28.738 0.082 0.000 1.063 100 Q HN 0.452 nan 8.270 nan 0.000 0.572 101 G N 1.560 110.358 108.800 -0.005 0.000 2.391 101 G HA2 -0.242 3.718 3.960 0.000 0.000 0.204 101 G HA3 -0.242 3.718 3.960 0.000 0.000 0.204 101 G C -0.065 174.828 174.900 -0.012 0.000 1.012 101 G CA 0.083 45.162 45.100 -0.035 0.000 0.651 101 G HN 0.381 nan 8.290 nan 0.000 0.494 102 K N 1.660 122.053 120.400 -0.011 0.000 2.485 102 K HA 0.428 4.748 4.320 0.000 0.000 0.277 102 K C -2.610 173.996 176.600 0.010 0.000 0.990 102 K CA -0.820 55.460 56.287 -0.011 0.000 0.994 102 K CB 0.240 32.704 32.500 -0.061 0.000 0.906 102 K HN 0.133 nan 8.250 nan 0.000 0.488 103 P HA -0.088 nan 4.420 nan 0.000 0.266 103 P C 0.807 178.121 177.300 0.023 0.000 1.195 103 P CA -0.050 63.069 63.100 0.032 0.000 0.768 103 P CB 0.476 32.197 31.700 0.034 0.000 0.838 104 L N 2.658 123.896 121.223 0.025 0.000 2.064 104 L HA -0.351 3.989 4.340 0.000 0.000 0.216 104 L C 2.157 179.042 176.870 0.025 0.000 1.077 104 L CA 2.352 57.206 54.840 0.023 0.000 0.766 104 L CB -0.774 41.297 42.059 0.020 0.000 0.890 104 L HN 0.462 nan 8.230 nan 0.000 0.435 105 A N -0.739 122.096 122.820 0.024 0.000 1.933 105 A HA -0.238 4.082 4.320 0.000 0.000 0.218 105 A C 2.072 179.676 177.584 0.033 0.000 1.175 105 A CA 1.755 53.808 52.037 0.027 0.000 0.628 105 A CB -0.410 18.604 19.000 0.024 0.000 0.814 105 A HN 0.518 nan 8.150 nan 0.000 0.444 106 E N -0.389 119.828 120.200 0.029 0.000 2.072 106 E HA -0.079 4.271 4.350 0.000 0.000 0.191 106 E C 2.347 178.970 176.600 0.038 0.000 0.985 106 E CA 0.826 57.245 56.400 0.031 0.000 0.801 106 E CB -0.261 29.444 29.700 0.008 0.000 0.750 106 E HN 0.620 nan 8.360 nan 0.000 0.452 107 A N 1.748 124.585 122.820 0.027 0.000 1.902 107 A HA -0.217 4.103 4.320 0.000 0.000 0.217 107 A C 1.949 179.573 177.584 0.066 0.000 1.181 107 A CA 1.446 53.507 52.037 0.040 0.000 0.623 107 A CB -0.272 18.746 19.000 0.029 0.000 0.818 107 A HN 0.045 nan 8.150 nan 0.000 0.443 108 K N -0.756 119.676 120.400 0.054 0.000 2.148 108 K HA -0.057 4.263 4.320 0.000 0.000 0.204 108 K C 2.089 178.735 176.600 0.076 0.000 1.050 108 K CA 0.882 57.202 56.287 0.056 0.000 0.942 108 K CB -0.344 32.180 32.500 0.039 0.000 0.724 108 K HN 0.471 nan 8.250 nan 0.000 0.446 109 G N 1.550 110.398 108.800 0.080 0.000 2.404 109 G HA2 -0.305 3.655 3.960 0.000 0.000 0.215 109 G HA3 -0.305 3.655 3.960 0.000 0.000 0.215 109 G C 1.363 176.361 174.900 0.162 0.000 1.174 109 G CA 0.838 45.995 45.100 0.094 0.000 0.780 109 G HN 0.413 nan 8.290 nan 0.000 0.537 110 E N 0.036 120.360 120.200 0.206 0.000 2.077 110 E HA -0.136 4.214 4.350 0.000 0.000 0.193 110 E C 2.415 179.200 176.600 0.308 0.000 0.989 110 E CA 0.868 57.478 56.400 0.350 0.000 0.800 110 E CB -0.127 29.782 29.700 0.348 0.000 0.746 110 E HN 0.318 nan 8.360 nan 0.000 0.452 111 I N 1.300 121.983 120.570 0.189 0.000 2.252 111 I HA -0.196 3.974 4.170 0.000 0.000 0.245 111 I C 2.582 178.774 176.117 0.124 0.000 1.102 111 I CA 1.291 62.671 61.300 0.134 0.000 1.385 111 I CB -1.530 36.520 38.000 0.082 0.000 1.064 111 I HN 0.218 nan 8.210 nan 0.000 0.414 112 A N 0.038 122.935 122.820 0.129 0.000 1.933 112 A HA -0.274 4.046 4.320 0.000 0.000 0.218 112 A C 2.343 180.022 177.584 0.158 0.000 1.175 112 A CA 1.452 53.563 52.037 0.124 0.000 0.628 112 A CB -0.981 18.080 19.000 0.102 0.000 0.814 112 A HN 0.471 nan 8.150 nan 0.000 0.444 113 Y N 0.549 120.872 120.300 0.038 0.000 2.163 113 Y HA 0.008 4.558 4.550 0.000 0.000 0.288 113 Y C 2.656 178.588 175.900 0.054 0.000 1.136 113 Y CA 1.042 59.133 58.100 -0.016 0.000 1.147 113 Y CB -0.779 37.701 38.460 0.033 0.000 0.987 113 Y HN 0.292 nan 8.280 nan 0.000 0.509 114 A N 0.850 123.755 122.820 0.141 0.000 1.883 114 A HA -0.175 4.145 4.320 0.000 0.000 0.217 114 A C 2.468 180.098 177.584 0.077 0.000 1.186 114 A CA 2.364 54.473 52.037 0.120 0.000 0.624 114 A CB -1.635 17.434 19.000 0.114 0.000 0.822 114 A HN 0.634 nan 8.150 nan 0.000 0.444 115 A N 0.255 123.122 122.820 0.079 0.000 1.940 115 A HA -0.138 4.182 4.320 0.000 0.000 0.219 115 A C 2.502 180.203 177.584 0.195 0.000 1.176 115 A CA 2.524 54.670 52.037 0.181 0.000 0.631 115 A CB -1.013 18.117 19.000 0.217 0.000 0.814 115 A HN 1.116 nan 8.150 nan 0.000 0.446 116 S N -1.194 114.520 115.700 0.024 0.000 2.402 116 S HA -0.106 4.364 4.470 0.000 0.000 0.229 116 S C 1.663 176.130 174.600 -0.222 0.000 1.021 116 S CA 1.297 59.406 58.200 -0.153 0.000 0.974 116 S CB -0.735 62.320 63.200 -0.242 0.000 0.800 116 S HN 0.358 nan 8.310 nan 0.000 0.484 117 F N 1.885 121.769 119.950 -0.111 0.000 2.186 117 F HA 0.207 4.734 4.527 0.000 0.000 0.299 117 F C 2.133 178.018 175.800 0.141 0.000 1.090 117 F CA 0.439 58.434 58.000 -0.007 0.000 1.307 117 F CB -0.516 38.458 39.000 -0.044 0.000 1.019 117 F HN 0.197 nan 8.300 nan 0.000 0.489 118 I N -0.139 120.545 120.570 0.189 0.000 2.163 118 I HA -0.270 3.900 4.170 0.000 0.000 0.240 118 I C 2.489 178.628 176.117 0.038 0.000 1.081 118 I CA 1.725 63.096 61.300 0.118 0.000 1.353 118 I CB -0.663 37.300 38.000 -0.061 0.000 1.054 118 I HN 0.120 nan 8.210 nan 0.000 0.407 119 E N 1.334 121.389 120.200 -0.242 0.000 2.058 119 E HA -0.300 4.050 4.350 0.000 0.000 0.194 119 E C 2.233 178.724 176.600 -0.181 0.000 0.997 119 E CA 1.798 57.932 56.400 -0.442 0.000 0.801 119 E CB -0.426 28.683 29.700 -0.985 0.000 0.746 119 E HN 0.565 nan 8.360 nan 0.000 0.450 120 W N 0.340 121.467 121.300 -0.289 0.000 2.315 120 W HA -0.286 4.374 4.660 0.000 0.000 0.323 120 W C 1.648 178.003 176.519 -0.274 0.000 1.233 120 W CA 1.660 58.806 57.345 -0.332 0.000 1.267 120 W CB -0.564 28.609 29.460 -0.478 0.000 1.160 120 W HN 0.183 nan 8.180 nan 0.000 0.474 121 F N 0.817 120.810 119.950 0.072 0.000 2.259 121 F HA -0.036 4.491 4.527 0.000 0.000 0.298 121 F C 2.731 178.497 175.800 -0.057 0.000 1.088 121 F CA 1.665 59.664 58.000 -0.002 0.000 1.358 121 F CB -1.454 37.620 39.000 0.125 0.000 1.040 121 F HN -0.086 nan 8.300 nan 0.000 0.505 122 A N 0.420 123.315 122.820 0.124 0.000 1.896 122 A HA -0.305 4.015 4.320 0.000 0.000 0.220 122 A C 2.143 179.697 177.584 -0.050 0.000 1.206 122 A CA 2.368 54.438 52.037 0.055 0.000 0.647 122 A CB -0.961 18.058 19.000 0.032 0.000 0.828 122 A HN 0.467 nan 8.150 nan 0.000 0.455 123 E N -0.895 119.199 120.200 -0.177 0.000 2.106 123 E HA -0.165 4.185 4.350 0.000 0.000 0.192 123 E C 2.058 178.489 176.600 -0.282 0.000 0.984 123 E CA 0.983 57.225 56.400 -0.263 0.000 0.806 123 E CB -0.127 29.332 29.700 -0.403 0.000 0.750 123 E HN 0.534 nan 8.360 nan 0.000 0.458 124 E N 0.250 120.250 120.200 -0.333 0.000 2.110 124 E HA -0.126 4.224 4.350 0.000 0.000 0.193 124 E C 2.242 178.821 176.600 -0.035 0.000 0.988 124 E CA 0.997 57.277 56.400 -0.201 0.000 0.804 124 E CB -0.516 29.137 29.700 -0.078 0.000 0.745 124 E HN 0.365 nan 8.360 nan 0.000 0.458 125 G N 1.754 110.563 108.800 0.015 0.000 2.469 125 G HA2 -0.287 3.673 3.960 0.000 0.000 0.220 125 G HA3 -0.287 3.673 3.960 0.000 0.000 0.220 125 G C 1.406 176.299 174.900 -0.012 0.000 1.136 125 G CA 0.781 45.899 45.100 0.029 0.000 0.759 125 G HN 0.262 nan 8.290 nan 0.000 0.562 126 K N -0.298 120.074 120.400 -0.046 0.000 2.487 126 K HA 0.178 4.498 4.320 0.000 0.000 0.192 126 K C 1.491 178.057 176.600 -0.056 0.000 1.027 126 K CA 0.093 56.347 56.287 -0.055 0.000 1.054 126 K CB 0.351 32.811 32.500 -0.068 0.000 0.824 126 K HN 0.183 nan 8.250 nan 0.000 0.510 127 R N 0.197 120.665 120.500 -0.053 0.000 2.549 127 R HA 0.136 4.476 4.340 0.000 0.000 0.361 127 R C -0.458 175.832 176.300 -0.017 0.000 0.969 127 R CA -0.159 55.909 56.100 -0.053 0.000 1.158 127 R CB 1.184 31.427 30.300 -0.095 0.000 1.456 127 R HN -0.133 nan 8.270 nan 0.000 0.540 128 V N 2.224 122.145 119.914 0.011 0.000 2.452 128 V HA 0.158 4.278 4.120 0.000 0.000 0.286 128 V C 0.322 176.432 176.094 0.027 0.000 0.995 128 V CA 0.268 62.593 62.300 0.041 0.000 1.116 128 V CB 0.509 32.370 31.823 0.063 0.000 0.954 128 V HN 0.245 nan 8.190 nan 0.000 0.473 129 A N 4.715 127.551 122.820 0.027 0.000 2.386 129 A HA 0.899 5.219 4.320 0.000 0.000 0.311 129 A C 0.318 177.918 177.584 0.026 0.000 1.068 129 A CA 0.027 52.073 52.037 0.015 0.000 0.743 129 A CB 1.738 20.734 19.000 -0.006 0.000 1.258 129 A HN 0.874 nan 8.150 nan 0.000 0.429 130 G N 0.022 108.837 108.800 0.025 0.000 2.736 130 G HA2 0.604 4.564 3.960 0.000 0.000 0.229 130 G HA3 0.604 4.564 3.960 0.000 0.000 0.229 130 G C -1.130 173.785 174.900 0.026 0.000 1.380 130 G CA -0.398 44.722 45.100 0.034 0.000 1.040 130 G HN 0.661 nan 8.290 nan 0.000 0.568 131 D N -1.268 119.152 120.400 0.033 0.000 2.601 131 D HA 0.570 5.210 4.640 0.000 0.000 0.230 131 D C -0.545 175.775 176.300 0.034 0.000 1.106 131 D CA -0.306 53.710 54.000 0.027 0.000 0.873 131 D CB 2.174 42.989 40.800 0.025 0.000 1.515 131 D HN 0.523 nan 8.370 nan 0.000 0.468 132 T N -0.635 113.935 114.554 0.025 0.000 2.841 132 T HA 0.746 5.096 4.350 0.000 0.000 0.285 132 T C -0.728 173.985 174.700 0.023 0.000 0.991 132 T CA -0.809 61.309 62.100 0.030 0.000 0.966 132 T CB 0.413 69.295 68.868 0.023 0.000 0.962 132 T HN 0.228 nan 8.240 nan 0.000 0.438 133 L N 2.826 124.066 121.223 0.027 0.000 2.341 133 L HA 0.633 4.973 4.340 0.000 0.000 0.267 133 L C -2.460 174.420 176.870 0.017 0.000 1.009 133 L CA -2.793 52.056 54.840 0.014 0.000 0.819 133 L CB 2.066 44.126 42.059 0.001 0.000 1.323 133 L HN 0.435 nan 8.230 nan 0.000 0.425 134 P HA 0.074 nan 4.420 nan 0.000 0.270 134 P C -0.182 177.125 177.300 0.011 0.000 1.242 134 P CA -0.100 63.005 63.100 0.010 0.000 0.768 134 P CB 0.666 32.369 31.700 0.005 0.000 0.820 135 T N 4.445 119.010 114.554 0.020 0.000 2.932 135 T HA 0.157 4.507 4.350 0.000 0.000 0.312 135 T C -1.297 173.413 174.700 0.016 0.000 1.071 135 T CA -0.895 61.221 62.100 0.025 0.000 1.128 135 T CB -0.087 68.801 68.868 0.033 0.000 0.984 135 T HN 0.322 nan 8.240 nan 0.000 0.549 136 P HA 0.351 nan 4.420 nan 0.000 0.266 136 P C -0.665 176.644 177.300 0.016 0.000 1.381 136 P CA 0.106 63.213 63.100 0.011 0.000 0.940 136 P CB 0.376 32.079 31.700 0.006 0.000 1.435 137 D N 0.047 120.460 120.400 0.022 0.000 2.616 137 D HA 0.315 4.955 4.640 0.000 0.000 0.238 137 D C 0.619 176.932 176.300 0.021 0.000 1.354 137 D CA -0.395 53.618 54.000 0.022 0.000 0.970 137 D CB 2.229 43.046 40.800 0.029 0.000 1.369 137 D HN -0.152 nan 8.370 nan 0.000 0.585 138 A N 3.776 126.606 122.820 0.015 0.000 2.131 138 A HA -0.172 4.148 4.320 0.000 0.000 0.220 138 A C 1.472 179.064 177.584 0.013 0.000 1.158 138 A CA 1.043 53.088 52.037 0.013 0.000 0.665 138 A CB -0.108 18.898 19.000 0.009 0.000 0.795 138 A HN 0.585 nan 8.150 nan 0.000 0.460 139 N N -0.437 118.272 118.700 0.014 0.000 2.336 139 N HA 0.057 4.797 4.740 0.000 0.000 0.189 139 N C -0.283 175.236 175.510 0.015 0.000 1.113 139 N CA 0.489 53.546 53.050 0.012 0.000 0.858 139 N CB 0.332 38.825 38.487 0.010 0.000 0.970 139 N HN 0.522 nan 8.380 nan 0.000 0.471 140 K N 0.494 120.907 120.400 0.023 0.000 2.371 140 K HA 0.459 4.779 4.320 0.000 0.000 0.251 140 K C -0.732 175.891 176.600 0.038 0.000 0.934 140 K CA -0.714 55.591 56.287 0.030 0.000 0.798 140 K CB 2.015 34.541 32.500 0.044 0.000 1.204 140 K HN -0.279 nan 8.250 nan 0.000 0.427 141 R N 1.568 122.091 120.500 0.039 0.000 2.637 141 R HA 0.518 4.858 4.340 0.000 0.000 0.291 141 R C -0.826 175.522 176.300 0.081 0.000 0.963 141 R CA -0.609 55.520 56.100 0.047 0.000 0.901 141 R CB 0.907 31.225 30.300 0.029 0.000 1.160 141 R HN 0.549 nan 8.270 nan 0.000 0.457 142 I N 2.660 123.292 120.570 0.103 0.000 2.339 142 I HA 0.401 4.571 4.170 0.000 0.000 0.290 142 I C -0.640 175.561 176.117 0.140 0.000 0.994 142 I CA -0.874 60.535 61.300 0.183 0.000 1.191 142 I CB 1.633 39.732 38.000 0.165 0.000 1.343 142 I HN 0.080 nan 8.210 nan 0.000 0.458 143 V N 7.298 127.313 119.914 0.169 0.000 2.447 143 V HA 0.298 4.418 4.120 0.000 0.000 0.292 143 V C -0.193 175.990 176.094 0.149 0.000 1.021 143 V CA -0.663 61.705 62.300 0.112 0.000 0.850 143 V CB 1.974 33.831 31.823 0.056 0.000 1.005 143 V HN 0.376 nan 8.190 nan 0.000 0.426 144 V N 6.179 126.169 119.914 0.127 0.000 2.383 144 V HA 0.594 4.714 4.120 0.000 0.000 0.275 144 V C 0.182 176.324 176.094 0.079 0.000 1.036 144 V CA -0.359 62.015 62.300 0.123 0.000 0.889 144 V CB 1.632 33.513 31.823 0.096 0.000 0.985 144 V HN 0.743 nan 8.190 nan 0.000 0.459 145 V N 2.910 122.869 119.914 0.075 0.000 3.103 145 V HA 0.773 4.893 4.120 0.000 0.000 0.318 145 V C -0.573 175.559 176.094 0.064 0.000 1.114 145 V CA -1.069 61.265 62.300 0.056 0.000 1.020 145 V CB 2.164 34.011 31.823 0.040 0.000 1.085 145 V HN 0.758 nan 8.190 nan 0.000 0.446 146 K N 0.525 120.961 120.400 0.060 0.000 2.375 146 K HA 0.744 5.064 4.320 0.000 0.000 0.249 146 K C -1.163 175.484 176.600 0.079 0.000 0.942 146 K CA -0.578 55.754 56.287 0.074 0.000 0.806 146 K CB 2.400 34.947 32.500 0.078 0.000 1.227 146 K HN 0.912 nan 8.250 nan 0.000 0.430 147 E N 1.750 122.012 120.200 0.103 0.000 2.408 147 E HA 0.328 4.678 4.350 0.000 0.000 0.275 147 E C -2.712 173.996 176.600 0.182 0.000 0.935 147 E CA -2.375 54.102 56.400 0.127 0.000 0.775 147 E CB 2.033 31.807 29.700 0.123 0.000 1.277 147 E HN 0.283 nan 8.360 nan 0.000 0.455 148 P HA -0.001 nan 4.420 nan 0.000 0.267 148 P C 0.370 177.853 177.300 0.304 0.000 1.200 148 P CA 0.266 63.553 63.100 0.311 0.000 0.772 148 P CB 0.899 32.902 31.700 0.505 0.000 0.855 149 I N 0.689 121.354 120.570 0.158 0.000 2.439 149 I HA 0.036 4.206 4.170 0.000 0.000 0.251 149 I C 1.056 177.118 176.117 -0.093 0.000 1.139 149 I CA 1.855 63.194 61.300 0.065 0.000 1.438 149 I CB -0.333 37.668 38.000 0.002 0.000 1.085 149 I HN 0.711 nan 8.210 nan 0.000 0.427 150 G N -0.549 107.989 108.800 -0.437 0.000 2.225 150 G HA2 -0.087 3.873 3.960 0.000 0.000 0.203 150 G HA3 -0.087 3.873 3.960 0.000 0.000 0.203 150 G C -0.959 173.365 174.900 -0.959 0.000 1.335 150 G CA -0.261 44.039 45.100 -1.334 0.000 1.183 150 G HN -0.031 nan 8.290 nan 0.000 0.488 151 V N 0.936 120.429 119.914 -0.701 0.000 2.479 151 V HA 0.391 4.511 4.120 0.000 0.000 0.281 151 V C 0.724 176.684 176.094 -0.224 0.000 1.031 151 V CA -0.078 61.986 62.300 -0.394 0.000 1.038 151 V CB 0.109 31.781 31.823 -0.251 0.000 0.981 151 V HN 0.832 nan 8.190 nan 0.000 0.478 152 C N 4.485 123.694 119.300 -0.151 0.000 2.358 152 C HA 0.946 5.406 4.460 0.000 0.000 0.354 152 C C 0.593 175.561 174.990 -0.037 0.000 1.183 152 C CA -0.621 58.366 59.018 -0.051 0.000 2.150 152 C CB 1.066 28.850 27.740 0.073 0.000 2.361 152 C HN 1.000 nan 8.230 nan 0.000 0.535 153 A N 0.797 123.613 122.820 -0.007 0.000 2.454 153 A HA 0.973 5.293 4.320 0.000 0.000 0.302 153 A C -1.026 176.584 177.584 0.044 0.000 1.079 153 A CA -0.338 51.702 52.037 0.004 0.000 0.731 153 A CB 1.283 20.276 19.000 -0.011 0.000 1.299 153 A HN 1.635 nan 8.150 nan 0.000 0.413 154 A N 1.157 124.010 122.820 0.054 0.000 2.459 154 A HA 0.695 5.015 4.320 0.000 0.000 0.296 154 A C -1.121 176.523 177.584 0.100 0.000 1.039 154 A CA -0.267 51.821 52.037 0.084 0.000 0.698 154 A CB 0.744 19.789 19.000 0.074 0.000 1.261 154 A HN 0.734 nan 8.150 nan 0.000 0.405 155 I N 2.799 123.470 120.570 0.169 0.000 2.362 155 I HA 0.464 4.634 4.170 0.000 0.000 0.289 155 I C 0.334 176.551 176.117 0.167 0.000 0.994 155 I CA -0.360 61.072 61.300 0.220 0.000 1.158 155 I CB 2.131 40.341 38.000 0.349 0.000 1.315 155 I HN 0.765 nan 8.210 nan 0.000 0.451 156 T N 4.020 118.631 114.554 0.095 0.000 2.912 156 T HA 0.662 5.012 4.350 0.000 0.000 0.288 156 T C -2.660 172.046 174.700 0.010 0.000 1.030 156 T CA -1.995 60.112 62.100 0.013 0.000 1.020 156 T CB 2.257 71.144 68.868 0.032 0.000 1.056 156 T HN 0.265 nan 8.240 nan 0.000 0.480 157 P HA 0.283 nan 4.420 nan 0.000 0.284 157 P C 0.744 178.034 177.300 -0.016 0.000 1.292 157 P CA -0.869 62.153 63.100 -0.132 0.000 0.800 157 P CB 1.030 32.527 31.700 -0.339 0.000 1.188 158 W N 0.581 121.923 121.300 0.069 0.000 2.737 158 W HA -0.004 4.656 4.660 0.000 0.000 0.262 158 W C 1.074 177.634 176.519 0.068 0.000 1.282 158 W CA 0.279 57.664 57.345 0.067 0.000 1.386 158 W CB -1.729 27.760 29.460 0.049 0.000 1.099 158 W HN 0.201 nan 8.180 nan 0.000 0.621 159 N N 1.578 120.180 118.700 -0.163 0.000 2.166 159 N HA -0.192 4.548 4.740 0.000 0.000 0.186 159 N C -0.093 175.346 175.510 -0.120 0.000 1.019 159 N CA 0.998 54.016 53.050 -0.054 0.000 0.856 159 N CB -1.033 37.340 38.487 -0.189 0.000 0.993 159 N HN 0.105 nan 8.380 nan 0.000 0.426 160 F N 0.514 120.479 119.950 0.024 0.000 2.622 160 F HA 0.381 4.908 4.527 0.000 0.000 0.338 160 F C -1.894 173.949 175.800 0.072 0.000 1.334 160 F CA -2.016 56.024 58.000 0.067 0.000 1.179 160 F CB 2.059 41.096 39.000 0.061 0.000 1.471 160 F HN -0.131 nan 8.300 nan 0.000 0.576 161 P HA -0.041 nan 4.420 nan 0.000 0.230 161 P C 1.065 178.463 177.300 0.163 0.000 1.158 161 P CA 0.871 64.073 63.100 0.169 0.000 0.769 161 P CB 0.428 32.229 31.700 0.169 0.000 0.807 162 A N 0.041 122.971 122.820 0.184 0.000 1.938 162 A HA 0.396 4.716 4.320 0.000 0.000 0.207 162 A C 2.266 179.938 177.584 0.146 0.000 1.292 162 A CA 0.882 53.018 52.037 0.164 0.000 0.700 162 A CB -1.253 17.843 19.000 0.160 0.000 0.947 162 A HN 0.098 nan 8.150 nan 0.000 0.476 163 A N -0.475 122.472 122.820 0.213 0.000 1.940 163 A HA -0.151 4.169 4.320 0.000 0.000 0.219 163 A C 2.122 179.675 177.584 -0.052 0.000 1.176 163 A CA 2.084 54.202 52.037 0.134 0.000 0.631 163 A CB -0.547 18.645 19.000 0.320 0.000 0.814 163 A HN 0.401 nan 8.150 nan 0.000 0.446 164 M N -0.280 119.328 119.600 0.014 0.000 2.159 164 M HA -0.080 4.400 4.480 0.000 0.000 0.263 164 M C 1.998 178.261 176.300 -0.062 0.000 1.063 164 M CA 1.070 56.331 55.300 -0.066 0.000 1.110 164 M CB -1.171 31.425 32.600 -0.007 0.000 1.374 164 M HN 0.335 nan 8.290 nan 0.000 0.411 165 I N 0.297 120.876 120.570 0.015 0.000 2.179 165 I HA -0.196 3.974 4.170 0.000 0.000 0.242 165 I C 2.600 178.733 176.117 0.027 0.000 1.088 165 I CA 1.578 62.910 61.300 0.053 0.000 1.357 165 I CB -1.929 36.149 38.000 0.130 0.000 1.051 165 I HN 0.166 nan 8.210 nan 0.000 0.409 166 A N 0.746 123.559 122.820 -0.011 0.000 1.933 166 A HA -0.200 4.120 4.320 0.000 0.000 0.218 166 A C 2.464 179.958 177.584 -0.150 0.000 1.175 166 A CA 1.413 53.425 52.037 -0.041 0.000 0.628 166 A CB -0.665 18.314 19.000 -0.035 0.000 0.814 166 A HN 0.324 nan 8.150 nan 0.000 0.444 167 R N -0.755 119.509 120.500 -0.393 0.000 2.237 167 R HA -0.058 4.282 4.340 0.000 0.000 0.219 167 R C 1.699 177.800 176.300 -0.331 0.000 1.080 167 R CA 1.530 57.268 56.100 -0.604 0.000 0.995 167 R CB -0.037 29.787 30.300 -0.793 0.000 0.875 167 R HN 0.556 nan 8.270 nan 0.000 0.462 168 K N -1.328 118.945 120.400 -0.211 0.000 2.344 168 K HA 0.110 4.430 4.320 0.000 0.000 0.200 168 K C 1.779 178.250 176.600 -0.214 0.000 1.132 168 K CA 0.208 56.409 56.287 -0.142 0.000 0.935 168 K CB 0.388 32.878 32.500 -0.017 0.000 1.089 168 K HN -0.114 nan 8.250 nan 0.000 0.496 169 V N 1.688 121.550 119.914 -0.087 0.000 2.358 169 V HA -0.172 3.948 4.120 0.000 0.000 0.246 169 V C 2.307 178.372 176.094 -0.048 0.000 1.047 169 V CA 2.299 64.585 62.300 -0.023 0.000 1.035 169 V CB -1.029 30.899 31.823 0.174 0.000 0.658 169 V HN 0.500 nan 8.190 nan 0.000 0.452 170 G N 1.531 110.316 108.800 -0.025 0.000 2.628 170 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 170 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 170 G C 0.114 174.842 174.900 -0.287 0.000 1.240 170 G CA 1.464 46.570 45.100 0.010 0.000 0.792 170 G HN 0.564 nan 8.290 nan 0.000 0.593 171 P HA 0.003 nan 4.420 nan 0.000 0.217 171 P C 2.052 178.884 177.300 -0.779 0.000 1.151 171 P CA 1.962 64.398 63.100 -1.107 0.000 0.828 171 P CB -0.171 30.605 31.700 -1.539 0.000 0.788 172 A N 0.239 122.455 122.820 -1.007 0.000 1.865 172 A HA -0.173 4.147 4.320 0.000 0.000 0.217 172 A C 2.257 179.779 177.584 -0.103 0.000 1.191 172 A CA 1.687 53.366 52.037 -0.597 0.000 0.623 172 A CB -1.689 17.061 19.000 -0.417 0.000 0.826 172 A HN 0.077 nan 8.150 nan 0.000 0.444 173 L N -0.371 120.840 121.223 -0.019 0.000 2.046 173 L HA -0.133 4.207 4.340 0.000 0.000 0.208 173 L C 2.953 180.074 176.870 0.419 0.000 1.077 173 L CA 1.927 56.936 54.840 0.282 0.000 0.747 173 L CB -0.841 41.345 42.059 0.212 0.000 0.896 173 L HN 0.410 nan 8.230 nan 0.000 0.432 174 A N -1.090 121.847 122.820 0.195 0.000 2.015 174 A HA -0.039 4.281 4.320 0.000 0.000 0.219 174 A C 2.429 180.085 177.584 0.120 0.000 1.163 174 A CA 1.437 53.569 52.037 0.159 0.000 0.646 174 A CB -0.679 18.419 19.000 0.162 0.000 0.806 174 A HN 0.377 nan 8.150 nan 0.000 0.448 175 A N -1.787 121.102 122.820 0.115 0.000 1.970 175 A HA 0.386 4.706 4.320 0.000 0.000 0.216 175 A C 1.757 179.449 177.584 0.180 0.000 1.170 175 A CA 1.574 53.697 52.037 0.143 0.000 0.645 175 A CB -0.541 18.561 19.000 0.170 0.000 0.816 175 A HN 1.795 nan 8.150 nan 0.000 0.447 176 G N -2.672 106.286 108.800 0.263 0.000 2.147 176 G HA2 -0.091 3.869 3.960 0.000 0.000 0.128 176 G HA3 -0.091 3.869 3.960 0.000 0.000 0.128 176 G C -0.187 175.086 174.900 0.622 0.000 1.026 176 G CA -0.260 45.037 45.100 0.329 0.000 0.693 176 G HN 0.612 nan 8.290 nan 0.000 0.499 177 C N 1.577 121.157 119.300 0.466 0.000 2.493 177 C HA 0.876 5.336 4.460 0.000 0.000 0.326 177 C C -1.644 173.368 174.990 0.035 0.000 1.200 177 C CA -1.407 57.701 59.018 0.151 0.000 1.739 177 C CB 2.138 29.885 27.740 0.012 0.000 2.300 177 C HN 0.406 nan 8.230 nan 0.000 0.500 178 P HA 0.662 nan 4.420 nan 0.000 0.281 178 P C -1.158 176.031 177.300 -0.186 0.000 1.281 178 P CA -0.357 62.602 63.100 -0.234 0.000 0.811 178 P CB 1.503 33.093 31.700 -0.182 0.000 1.154 179 I N -0.818 119.647 120.570 -0.173 0.000 2.775 179 I HA 0.316 4.486 4.170 0.000 0.000 0.295 179 I C -1.637 174.423 176.117 -0.095 0.000 1.287 179 I CA -1.056 60.177 61.300 -0.112 0.000 1.029 179 I CB 2.249 40.198 38.000 -0.084 0.000 1.282 179 I HN -0.053 nan 8.210 nan 0.000 0.426 180 V N 7.129 127.005 119.914 -0.063 0.000 2.417 180 V HA 0.538 4.658 4.120 0.000 0.000 0.291 180 V C -0.524 175.562 176.094 -0.014 0.000 1.024 180 V CA -0.592 61.679 62.300 -0.047 0.000 0.861 180 V CB 1.713 33.506 31.823 -0.050 0.000 0.985 180 V HN 0.431 nan 8.190 nan 0.000 0.436 181 V N 4.686 124.600 119.914 -0.000 0.000 2.495 181 V HA 0.526 4.646 4.120 0.000 0.000 0.298 181 V C -0.056 176.062 176.094 0.040 0.000 1.031 181 V CA -0.872 61.445 62.300 0.028 0.000 0.871 181 V CB 1.988 33.833 31.823 0.038 0.000 0.988 181 V HN 0.768 nan 8.190 nan 0.000 0.432 182 K N 7.298 127.732 120.400 0.057 0.000 2.404 182 K HA 0.452 4.772 4.320 0.000 0.000 0.257 182 K C -2.748 173.905 176.600 0.089 0.000 1.026 182 K CA -1.893 54.435 56.287 0.069 0.000 0.951 182 K CB 2.125 34.663 32.500 0.064 0.000 1.203 182 K HN 0.386 nan 8.250 nan 0.000 0.446 183 P HA 0.128 nan 4.420 nan 0.000 0.276 183 P C -0.557 176.816 177.300 0.121 0.000 1.261 183 P CA -0.493 62.667 63.100 0.101 0.000 0.800 183 P CB 0.552 32.307 31.700 0.093 0.000 1.066 184 A N 0.222 123.129 122.820 0.145 0.000 2.531 184 A HA 0.325 4.645 4.320 0.000 0.000 0.236 184 A C 1.727 179.411 177.584 0.167 0.000 1.062 184 A CA 0.594 52.743 52.037 0.187 0.000 0.760 184 A CB -0.937 18.235 19.000 0.286 0.000 0.995 184 A HN 0.642 nan 8.150 nan 0.000 0.501 185 E N 1.216 121.505 120.200 0.148 0.000 2.204 185 E HA -0.085 4.265 4.350 0.000 0.000 0.194 185 E C 2.046 178.765 176.600 0.197 0.000 0.989 185 E CA 1.764 58.261 56.400 0.161 0.000 0.824 185 E CB -0.537 29.114 29.700 -0.081 0.000 0.756 185 E HN 0.710 nan 8.360 nan 0.000 0.477 186 S N -0.127 115.653 115.700 0.132 0.000 2.461 186 S HA -0.007 4.463 4.470 0.000 0.000 0.228 186 S C 1.296 175.964 174.600 0.113 0.000 1.005 186 S CA 1.234 59.490 58.200 0.093 0.000 0.942 186 S CB 0.170 63.344 63.200 -0.042 0.000 0.776 186 S HN 0.769 nan 8.310 nan 0.000 0.514 187 T N -0.620 114.019 114.554 0.142 0.000 3.658 187 T HA 0.335 4.685 4.350 0.000 0.000 0.245 187 T C -2.585 172.163 174.700 0.080 0.000 1.292 187 T CA -1.137 61.047 62.100 0.139 0.000 1.598 187 T CB 1.416 70.406 68.868 0.204 0.000 0.861 187 T HN 0.020 nan 8.240 nan 0.000 0.663 188 P HA 0.252 nan 4.420 nan 0.000 0.251 188 P C 0.826 178.038 177.300 -0.147 0.000 1.223 188 P CA -0.210 62.815 63.100 -0.125 0.000 0.796 188 P CB -0.103 31.461 31.700 -0.226 0.000 1.068 189 F N 0.935 120.900 119.950 0.024 0.000 2.163 189 F HA -0.066 4.461 4.527 0.000 0.000 0.297 189 F C 2.563 178.380 175.800 0.029 0.000 1.094 189 F CA 1.329 59.319 58.000 -0.017 0.000 1.290 189 F CB -1.415 37.544 39.000 -0.069 0.000 1.017 189 F HN -0.124 nan 8.300 nan 0.000 0.483 190 S N 0.207 116.048 115.700 0.235 0.000 2.383 190 S HA -0.233 4.237 4.470 0.000 0.000 0.229 190 S C 2.361 177.069 174.600 0.180 0.000 1.030 190 S CA 1.142 59.452 58.200 0.183 0.000 1.002 190 S CB -0.768 62.530 63.200 0.162 0.000 0.829 190 S HN 0.374 nan 8.310 nan 0.000 0.467 191 A N 1.358 124.276 122.820 0.164 0.000 1.873 191 A HA 0.014 4.334 4.320 0.000 0.000 0.215 191 A C 2.134 179.830 177.584 0.188 0.000 1.186 191 A CA 1.136 53.271 52.037 0.163 0.000 0.616 191 A CB -0.699 18.376 19.000 0.125 0.000 0.823 191 A HN 0.446 nan 8.150 nan 0.000 0.442 192 L N -0.688 120.653 121.223 0.198 0.000 2.046 192 L HA -0.180 4.160 4.340 0.000 0.000 0.208 192 L C 3.109 180.173 176.870 0.324 0.000 1.077 192 L CA 0.989 56.004 54.840 0.293 0.000 0.747 192 L CB -0.611 41.629 42.059 0.301 0.000 0.896 192 L HN 0.427 nan 8.230 nan 0.000 0.432 193 A N 0.075 123.036 122.820 0.234 0.000 1.892 193 A HA -0.271 4.049 4.320 0.000 0.000 0.218 193 A C 2.344 180.113 177.584 0.308 0.000 1.188 193 A CA 2.034 54.206 52.037 0.225 0.000 0.631 193 A CB -0.467 18.629 19.000 0.161 0.000 0.822 193 A HN 0.325 nan 8.150 nan 0.000 0.447 194 M N -0.606 119.180 119.600 0.310 0.000 2.108 194 M HA -0.147 4.333 4.480 0.000 0.000 0.261 194 M C 2.476 178.980 176.300 0.341 0.000 1.066 194 M CA 1.760 57.328 55.300 0.448 0.000 1.107 194 M CB -1.487 31.395 32.600 0.470 0.000 1.356 194 M HN 0.506 nan 8.290 nan 0.000 0.406 195 A N -0.491 122.420 122.820 0.152 0.000 1.929 195 A HA -0.133 4.187 4.320 0.000 0.000 0.216 195 A C 2.064 179.532 177.584 -0.193 0.000 1.176 195 A CA 0.843 52.773 52.037 -0.178 0.000 0.628 195 A CB -0.920 17.905 19.000 -0.292 0.000 0.816 195 A HN 0.401 nan 8.150 nan 0.000 0.444 196 F N 0.650 120.644 119.950 0.074 0.000 2.134 196 F HA -0.108 4.419 4.527 0.000 0.000 0.299 196 F C 1.792 177.618 175.800 0.043 0.000 1.097 196 F CA 1.577 59.674 58.000 0.161 0.000 1.264 196 F CB -0.172 38.878 39.000 0.084 0.000 1.001 196 F HN 0.130 nan 8.300 nan 0.000 0.479 197 L N -0.608 120.682 121.223 0.111 0.000 2.240 197 L HA -0.055 4.285 4.340 0.000 0.000 0.211 197 L C 2.649 179.473 176.870 -0.077 0.000 1.106 197 L CA 0.777 55.669 54.840 0.087 0.000 0.793 197 L CB -0.960 41.314 42.059 0.359 0.000 0.927 197 L HN 0.200 nan 8.230 nan 0.000 0.446 198 A N -0.187 122.389 122.820 -0.407 0.000 1.930 198 A HA -0.226 4.094 4.320 0.000 0.000 0.217 198 A C 2.255 179.584 177.584 -0.425 0.000 1.175 198 A CA 1.522 53.070 52.037 -0.815 0.000 0.627 198 A CB -0.353 17.981 19.000 -1.110 0.000 0.815 198 A HN 0.427 nan 8.150 nan 0.000 0.443 199 E N -0.222 119.769 120.200 -0.348 0.000 2.077 199 E HA -0.187 4.163 4.350 0.000 0.000 0.193 199 E C 2.196 178.693 176.600 -0.173 0.000 0.989 199 E CA 0.854 57.128 56.400 -0.209 0.000 0.800 199 E CB -0.075 29.531 29.700 -0.157 0.000 0.746 199 E HN 0.515 nan 8.360 nan 0.000 0.452 200 R N -0.242 120.121 120.500 -0.228 0.000 2.115 200 R HA -0.064 4.276 4.340 0.000 0.000 0.230 200 R C 2.169 178.436 176.300 -0.055 0.000 1.111 200 R CA 0.930 56.940 56.100 -0.151 0.000 0.976 200 R CB -0.184 30.014 30.300 -0.170 0.000 0.870 200 R HN 0.128 nan 8.270 nan 0.000 0.445 201 A N 0.205 123.001 122.820 -0.040 0.000 2.067 201 A HA 0.142 4.462 4.320 0.000 0.000 0.217 201 A C 1.383 178.985 177.584 0.030 0.000 1.156 201 A CA 1.138 53.196 52.037 0.036 0.000 0.683 201 A CB 0.010 19.072 19.000 0.102 0.000 0.808 201 A HN 0.449 nan 8.150 nan 0.000 0.455 202 G N -1.496 107.295 108.800 -0.014 0.000 2.145 202 G HA2 -0.108 3.852 3.960 0.000 0.000 0.176 202 G HA3 -0.108 3.852 3.960 0.000 0.000 0.176 202 G C -0.068 174.849 174.900 0.028 0.000 1.013 202 G CA -0.138 44.973 45.100 0.018 0.000 0.689 202 G HN 0.715 nan 8.290 nan 0.000 0.506 203 V N 1.880 121.757 119.914 -0.063 0.000 2.446 203 V HA 0.288 4.408 4.120 0.000 0.000 0.276 203 V C -0.959 175.068 176.094 -0.113 0.000 1.030 203 V CA -0.925 61.291 62.300 -0.140 0.000 1.033 203 V CB 0.761 32.382 31.823 -0.337 0.000 0.993 203 V HN 0.256 nan 8.190 nan 0.000 0.477 204 P HA 0.179 nan 4.420 nan 0.000 0.266 204 P C 0.066 177.310 177.300 -0.092 0.000 1.193 204 P CA 0.025 63.107 63.100 -0.030 0.000 0.770 204 P CB 0.300 32.033 31.700 0.054 0.000 0.836 205 K N 1.674 122.035 120.400 -0.066 0.000 2.472 205 K HA 0.394 4.714 4.320 0.000 0.000 0.280 205 K C 1.353 177.872 176.600 -0.135 0.000 1.028 205 K CA 0.295 56.510 56.287 -0.120 0.000 1.045 205 K CB -1.162 31.274 32.500 -0.108 0.000 0.902 205 K HN 0.917 nan 8.250 nan 0.000 0.478 206 G N 0.319 109.005 108.800 -0.190 0.000 2.313 206 G HA2 -0.282 3.678 3.960 0.000 0.000 0.215 206 G HA3 -0.282 3.678 3.960 0.000 0.000 0.215 206 G C 1.450 176.237 174.900 -0.188 0.000 1.023 206 G CA 0.491 45.492 45.100 -0.165 0.000 0.626 206 G HN 1.050 nan 8.290 nan 0.000 0.503 207 V N 0.601 120.362 119.914 -0.256 0.000 2.358 207 V HA 0.241 4.361 4.120 0.000 0.000 0.246 207 V C 1.263 177.144 176.094 -0.355 0.000 1.047 207 V CA 2.057 64.108 62.300 -0.415 0.000 1.035 207 V CB -0.198 31.145 31.823 -0.800 0.000 0.658 207 V HN 0.562 nan 8.190 nan 0.000 0.452 208 L N -0.523 120.537 121.223 -0.272 0.000 2.362 208 L HA 0.675 5.015 4.340 0.000 0.000 0.275 208 L C -0.557 176.266 176.870 -0.078 0.000 0.998 208 L CA 0.276 55.007 54.840 -0.182 0.000 0.820 208 L CB 2.015 43.937 42.059 -0.227 0.000 1.270 208 L HN -0.005 nan 8.230 nan 0.000 0.415 209 S N 3.135 118.792 115.700 -0.071 0.000 2.547 209 S HA 0.748 5.218 4.470 0.000 0.000 0.281 209 S C -1.325 173.266 174.600 -0.015 0.000 1.118 209 S CA -0.539 57.625 58.200 -0.060 0.000 0.947 209 S CB 2.035 65.158 63.200 -0.128 0.000 1.053 209 S HN 0.392 nan 8.310 nan 0.000 0.482 210 V N 3.332 123.256 119.914 0.017 0.000 2.350 210 V HA 0.553 4.673 4.120 0.000 0.000 0.285 210 V C -0.300 175.805 176.094 0.019 0.000 1.014 210 V CA -0.674 61.643 62.300 0.029 0.000 0.831 210 V CB 1.460 33.318 31.823 0.058 0.000 1.000 210 V HN 0.656 nan 8.190 nan 0.000 0.433 211 V N 7.402 127.328 119.914 0.020 0.000 2.459 211 V HA 0.725 4.845 4.120 0.000 0.000 0.295 211 V C -0.690 175.435 176.094 0.052 0.000 1.029 211 V CA -0.286 62.028 62.300 0.023 0.000 0.874 211 V CB 1.646 33.472 31.823 0.004 0.000 0.985 211 V HN 0.714 nan 8.190 nan 0.000 0.438 212 I N 6.588 127.198 120.570 0.065 0.000 2.530 212 I HA 1.026 5.196 4.170 0.000 0.000 0.297 212 I C 0.689 176.909 176.117 0.172 0.000 1.011 212 I CA 0.634 62.000 61.300 0.111 0.000 1.107 212 I CB 1.702 39.732 38.000 0.051 0.000 1.285 212 I HN 1.072 nan 8.210 nan 0.000 0.436 213 G N 3.356 112.317 108.800 0.268 0.000 2.441 213 G HA2 0.036 3.996 3.960 0.000 0.000 0.222 213 G HA3 0.036 3.996 3.960 0.000 0.000 0.222 213 G C -1.601 173.348 174.900 0.081 0.000 1.254 213 G CA -0.868 44.392 45.100 0.266 0.000 0.959 213 G HN 0.521 nan 8.290 nan 0.000 0.474 214 D N 2.099 122.514 120.400 0.026 0.000 2.389 214 D HA 0.280 4.920 4.640 0.000 0.000 0.263 214 D C -0.326 175.960 176.300 -0.023 0.000 1.255 214 D CA -1.342 52.636 54.000 -0.037 0.000 0.914 214 D CB 1.466 42.256 40.800 -0.017 0.000 1.116 214 D HN 0.042 nan 8.370 nan 0.000 0.502 215 P HA -0.212 nan 4.420 nan 0.000 0.215 215 P C 1.208 178.496 177.300 -0.020 0.000 1.153 215 P CA 1.871 64.962 63.100 -0.015 0.000 0.853 215 P CB 0.129 31.819 31.700 -0.017 0.000 0.788 216 K N 0.520 120.902 120.400 -0.029 0.000 2.002 216 K HA 0.006 4.326 4.320 0.000 0.000 0.209 216 K C 2.419 179.003 176.600 -0.026 0.000 1.048 216 K CA 1.895 58.164 56.287 -0.031 0.000 0.930 216 K CB -1.711 30.770 32.500 -0.031 0.000 0.714 216 K HN 0.208 nan 8.250 nan 0.000 0.438 217 A N 0.575 123.383 122.820 -0.019 0.000 1.930 217 A HA 0.068 4.388 4.320 0.000 0.000 0.217 217 A C 2.439 180.016 177.584 -0.012 0.000 1.175 217 A CA 1.574 53.603 52.037 -0.013 0.000 0.627 217 A CB -0.318 18.678 19.000 -0.006 0.000 0.815 217 A HN 0.500 nan 8.150 nan 0.000 0.443 218 I N -0.697 119.869 120.570 -0.007 0.000 2.333 218 I HA -0.073 4.097 4.170 0.000 0.000 0.246 218 I C 2.684 178.793 176.117 -0.014 0.000 1.106 218 I CA 0.840 62.138 61.300 -0.003 0.000 1.411 218 I CB -0.540 37.467 38.000 0.012 0.000 1.082 218 I HN 0.360 nan 8.210 nan 0.000 0.420 219 G N 0.599 109.386 108.800 -0.022 0.000 2.459 219 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 219 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 219 G C 1.659 176.530 174.900 -0.048 0.000 1.183 219 G CA 1.557 46.632 45.100 -0.043 0.000 0.776 219 G HN 0.274 nan 8.290 nan 0.000 0.552 220 T N 0.669 115.198 114.554 -0.042 0.000 2.720 220 T HA -0.121 4.229 4.350 0.000 0.000 0.268 220 T C 2.199 176.880 174.700 -0.032 0.000 1.037 220 T CA 1.723 63.800 62.100 -0.038 0.000 1.144 220 T CB -0.151 68.699 68.868 -0.032 0.000 0.864 220 T HN 0.399 nan 8.240 nan 0.000 0.444 221 E N 1.046 121.230 120.200 -0.027 0.000 2.047 221 E HA -0.033 4.317 4.350 0.000 0.000 0.191 221 E C 2.030 178.613 176.600 -0.028 0.000 0.987 221 E CA 1.030 57.415 56.400 -0.024 0.000 0.799 221 E CB -0.565 29.123 29.700 -0.019 0.000 0.752 221 E HN 0.517 nan 8.360 nan 0.000 0.449 222 I N 0.562 121.114 120.570 -0.030 0.000 2.163 222 I HA -0.304 3.866 4.170 0.000 0.000 0.243 222 I C 2.300 178.393 176.117 -0.039 0.000 1.085 222 I CA 1.911 63.192 61.300 -0.033 0.000 1.347 222 I CB -0.523 37.460 38.000 -0.028 0.000 1.044 222 I HN 0.311 nan 8.210 nan 0.000 0.408 223 T N -2.585 111.942 114.554 -0.046 0.000 2.951 223 T HA -0.065 4.285 4.350 0.000 0.000 0.268 223 T C 1.710 176.385 174.700 -0.042 0.000 1.073 223 T CA 1.058 63.127 62.100 -0.051 0.000 1.134 223 T CB -0.356 68.474 68.868 -0.065 0.000 0.884 223 T HN 0.430 nan 8.240 nan 0.000 0.479 224 S N 0.313 115.992 115.700 -0.036 0.000 2.517 224 S HA 0.179 4.649 4.470 0.000 0.000 0.214 224 S C 0.731 175.316 174.600 -0.025 0.000 0.991 224 S CA -0.617 57.565 58.200 -0.029 0.000 0.906 224 S CB -0.445 62.739 63.200 -0.026 0.000 0.789 224 S HN 0.369 nan 8.310 nan 0.000 0.513 225 N N 3.120 121.804 118.700 -0.027 0.000 2.411 225 N HA 0.301 5.041 4.740 0.000 0.000 0.259 225 N C -2.193 173.301 175.510 -0.025 0.000 1.103 225 N CA -1.757 51.279 53.050 -0.025 0.000 0.954 225 N CB 1.564 40.035 38.487 -0.027 0.000 1.085 225 N HN 0.010 nan 8.380 nan 0.000 0.485 226 P HA -0.018 nan 4.420 nan 0.000 0.222 226 P C 1.309 178.599 177.300 -0.017 0.000 1.147 226 P CA 0.853 63.944 63.100 -0.015 0.000 0.790 226 P CB 0.386 32.082 31.700 -0.006 0.000 0.780 227 I N -1.366 119.192 120.570 -0.019 0.000 2.226 227 I HA -0.140 4.030 4.170 0.000 0.000 0.245 227 I C 0.636 176.717 176.117 -0.061 0.000 1.100 227 I CA 0.771 62.055 61.300 -0.026 0.000 1.374 227 I CB -0.719 37.269 38.000 -0.021 0.000 1.057 227 I HN -0.280 nan 8.210 nan 0.000 0.413 228 V N 3.130 123.008 119.914 -0.061 0.000 2.416 228 V HA -0.052 4.069 4.120 0.000 0.000 0.267 228 V C 1.370 177.419 176.094 -0.074 0.000 1.007 228 V CA 0.654 62.908 62.300 -0.076 0.000 1.102 228 V CB -0.189 31.599 31.823 -0.059 0.000 1.035 228 V HN 0.319 nan 8.190 nan 0.000 0.473 229 R N 3.125 123.565 120.500 -0.100 0.000 2.246 229 R HA 0.115 4.455 4.340 0.000 0.000 0.199 229 R C 0.587 176.839 176.300 -0.081 0.000 0.984 229 R CA 0.372 56.422 56.100 -0.083 0.000 1.015 229 R CB 0.289 30.532 30.300 -0.095 0.000 0.930 229 R HN 0.777 nan 8.270 nan 0.000 0.475 230 K N 0.006 120.351 120.400 -0.092 0.000 2.527 230 K HA 0.373 4.693 4.320 0.000 0.000 0.260 230 K C -1.799 174.755 176.600 -0.077 0.000 0.937 230 K CA -0.949 55.279 56.287 -0.098 0.000 0.826 230 K CB 1.831 34.241 32.500 -0.149 0.000 1.359 230 K HN -0.113 nan 8.250 nan 0.000 0.434 231 L N 1.358 122.540 121.223 -0.069 0.000 2.385 231 L HA 0.565 4.905 4.340 0.000 0.000 0.273 231 L C -1.287 175.578 176.870 -0.008 0.000 0.990 231 L CA -0.023 54.801 54.840 -0.027 0.000 0.821 231 L CB 2.284 44.330 42.059 -0.021 0.000 1.279 231 L HN 0.803 nan 8.230 nan 0.000 0.412 232 S N 4.351 120.075 115.700 0.041 0.000 2.451 232 S HA 0.751 5.221 4.470 0.000 0.000 0.301 232 S C -1.201 173.505 174.600 0.177 0.000 1.116 232 S CA -0.361 57.885 58.200 0.076 0.000 1.093 232 S CB 0.456 63.712 63.200 0.094 0.000 1.017 232 S HN 0.508 nan 8.310 nan 0.000 0.482 233 F N 3.096 123.040 119.950 -0.010 0.000 2.569 233 F HA 0.620 5.147 4.527 0.000 0.000 0.312 233 F C -0.706 175.094 175.800 -0.000 0.000 1.109 233 F CA -0.278 57.718 58.000 -0.005 0.000 0.919 233 F CB 2.050 41.045 39.000 -0.009 0.000 1.211 233 F HN 0.455 nan 8.300 nan 0.000 0.446 234 T N 4.182 118.241 114.554 -0.825 0.000 2.848 234 T HA 0.834 5.184 4.350 0.000 0.000 0.285 234 T C -0.203 173.721 174.700 -1.293 0.000 0.995 234 T CA -0.134 61.483 62.100 -0.804 0.000 0.970 234 T CB 1.320 69.978 68.868 -0.350 0.000 0.976 234 T HN 1.155 nan 8.240 nan 0.000 0.441 235 G N 1.727 109.942 108.800 -0.975 0.000 2.404 235 G HA2 0.404 4.364 3.960 0.000 0.000 0.253 235 G HA3 0.404 4.364 3.960 0.000 0.000 0.253 235 G C -0.602 174.202 174.900 -0.160 0.000 1.253 235 G CA -0.229 44.528 45.100 -0.572 0.000 0.917 235 G HN 0.989 nan 8.290 nan 0.000 0.480 236 S N -0.502 115.232 115.700 0.056 0.000 2.592 236 S HA 0.467 4.937 4.470 0.000 0.000 0.271 236 S C 1.429 176.142 174.600 0.189 0.000 1.326 236 S CA 1.096 59.334 58.200 0.063 0.000 1.024 236 S CB 1.299 64.520 63.200 0.035 0.000 0.921 236 S HN 0.926 nan 8.310 nan 0.000 0.527 237 T N 2.896 117.541 114.554 0.151 0.000 2.720 237 T HA -0.119 4.231 4.350 0.000 0.000 0.268 237 T C 2.207 177.002 174.700 0.159 0.000 1.037 237 T CA 1.731 63.955 62.100 0.206 0.000 1.144 237 T CB -0.977 68.091 68.868 0.333 0.000 0.864 237 T HN 0.866 nan 8.240 nan 0.000 0.444 238 A N 1.121 124.018 122.820 0.129 0.000 1.873 238 A HA -0.123 4.197 4.320 0.000 0.000 0.218 238 A C 2.587 180.196 177.584 0.042 0.000 1.193 238 A CA 1.875 53.959 52.037 0.079 0.000 0.629 238 A CB -1.179 17.860 19.000 0.065 0.000 0.826 238 A HN 0.371 nan 8.150 nan 0.000 0.447 239 V N -0.092 119.855 119.914 0.055 0.000 2.626 239 V HA -0.145 3.975 4.120 0.000 0.000 0.252 239 V C 2.706 178.678 176.094 -0.203 0.000 1.067 239 V CA 1.721 63.990 62.300 -0.053 0.000 1.081 239 V CB -1.366 30.465 31.823 0.014 0.000 0.686 239 V HN 0.655 nan 8.190 nan 0.000 0.468 240 G N 0.135 108.933 108.800 -0.002 0.000 2.402 240 G HA2 -0.206 3.754 3.960 0.000 0.000 0.216 240 G HA3 -0.206 3.754 3.960 0.000 0.000 0.216 240 G C 1.736 176.610 174.900 -0.042 0.000 1.162 240 G CA 0.563 45.664 45.100 0.002 0.000 0.777 240 G HN 0.440 nan 8.290 nan 0.000 0.539 241 R N -0.322 120.173 120.500 -0.007 0.000 2.083 241 R HA 0.035 4.375 4.340 0.000 0.000 0.237 241 R C 2.578 178.847 176.300 -0.053 0.000 1.137 241 R CA 1.094 57.183 56.100 -0.018 0.000 0.951 241 R CB -0.692 29.607 30.300 -0.000 0.000 0.851 241 R HN 0.318 nan 8.270 nan 0.000 0.434 242 L N 0.966 122.145 121.223 -0.073 0.000 1.990 242 L HA -0.228 4.112 4.340 0.000 0.000 0.213 242 L C 2.311 179.109 176.870 -0.119 0.000 1.072 242 L CA 1.517 56.303 54.840 -0.090 0.000 0.755 242 L CB -0.223 41.776 42.059 -0.100 0.000 0.889 242 L HN 0.212 nan 8.230 nan 0.000 0.432 243 L N -1.372 119.738 121.223 -0.188 0.000 2.093 243 L HA -0.261 4.079 4.340 0.000 0.000 0.208 243 L C 2.559 179.354 176.870 -0.125 0.000 1.085 243 L CA 1.517 56.235 54.840 -0.204 0.000 0.755 243 L CB -0.426 41.416 42.059 -0.362 0.000 0.904 243 L HN 0.449 nan 8.230 nan 0.000 0.435 244 M N 0.022 119.564 119.600 -0.097 0.000 2.086 244 M HA -0.201 4.279 4.480 0.000 0.000 0.261 244 M C 2.351 178.621 176.300 -0.051 0.000 1.067 244 M CA 2.165 57.430 55.300 -0.059 0.000 1.116 244 M CB -0.125 32.452 32.600 -0.037 0.000 1.348 244 M HN 0.193 nan 8.290 nan 0.000 0.407 245 A N -0.369 122.422 122.820 -0.050 0.000 1.972 245 A HA -0.203 4.117 4.320 0.000 0.000 0.219 245 A C 1.961 179.519 177.584 -0.044 0.000 1.169 245 A CA 1.740 53.753 52.037 -0.041 0.000 0.635 245 A CB -0.755 18.222 19.000 -0.037 0.000 0.810 245 A HN 0.738 nan 8.150 nan 0.000 0.446 246 Q N -0.696 119.070 119.800 -0.056 0.000 2.378 246 Q HA 0.006 4.346 4.340 0.000 0.000 0.205 246 Q C 1.563 177.533 176.000 -0.050 0.000 0.954 246 Q CA 1.159 56.929 55.803 -0.054 0.000 0.901 246 Q CB 0.098 28.796 28.738 -0.068 0.000 0.981 246 Q HN 0.609 nan 8.270 nan 0.000 0.483 247 S N -0.516 115.153 115.700 -0.052 0.000 2.524 247 S HA 0.165 4.635 4.470 0.000 0.000 0.215 247 S C 1.563 176.141 174.600 -0.036 0.000 0.986 247 S CA 0.307 58.479 58.200 -0.046 0.000 0.911 247 S CB 0.503 63.672 63.200 -0.051 0.000 0.805 247 S HN 0.392 nan 8.310 nan 0.000 0.501 248 A N 2.764 125.563 122.820 -0.034 0.000 1.930 248 A HA 0.083 4.403 4.320 0.000 0.000 0.217 248 A C -0.310 177.261 177.584 -0.022 0.000 1.175 248 A CA 1.000 53.021 52.037 -0.027 0.000 0.627 248 A CB -1.679 17.306 19.000 -0.025 0.000 0.815 248 A HN 0.322 nan 8.150 nan 0.000 0.443 249 P HA -0.109 nan 4.420 nan 0.000 0.220 249 P C 1.031 178.321 177.300 -0.017 0.000 1.144 249 P CA 1.925 65.014 63.100 -0.018 0.000 0.800 249 P CB -0.121 31.568 31.700 -0.019 0.000 0.772 250 T N -6.120 108.422 114.554 -0.020 0.000 3.084 250 T HA 0.190 4.540 4.350 0.000 0.000 0.270 250 T C 0.513 175.202 174.700 -0.018 0.000 1.008 250 T CA -0.232 61.857 62.100 -0.018 0.000 0.900 250 T CB -0.747 68.109 68.868 -0.022 0.000 1.084 250 T HN -0.147 nan 8.240 nan 0.000 0.538 251 V N 0.910 120.813 119.914 -0.019 0.000 5.479 251 V HA -0.254 3.866 4.120 0.000 0.000 0.289 251 V C 0.496 176.576 176.094 -0.023 0.000 0.595 251 V CA 0.651 62.940 62.300 -0.018 0.000 0.649 251 V CB -2.357 29.459 31.823 -0.011 0.000 0.390 251 V HN 0.678 nan 8.190 nan 0.000 0.974 252 K N 0.261 120.642 120.400 -0.031 0.000 2.380 252 K HA 0.295 4.615 4.320 0.000 0.000 0.267 252 K C 0.402 176.975 176.600 -0.044 0.000 0.990 252 K CA -0.501 55.762 56.287 -0.040 0.000 0.946 252 K CB 0.643 33.115 32.500 -0.046 0.000 0.937 252 K HN 0.408 nan 8.250 nan 0.000 0.491 253 K N 2.120 122.486 120.400 -0.057 0.000 2.276 253 K HA 0.152 4.472 4.320 0.000 0.000 0.283 253 K C -1.126 175.424 176.600 -0.084 0.000 1.044 253 K CA -0.256 55.989 56.287 -0.069 0.000 0.944 253 K CB 0.376 32.825 32.500 -0.085 0.000 1.012 253 K HN 0.218 nan 8.250 nan 0.000 0.472 254 L N 3.703 124.885 121.223 -0.070 0.000 2.356 254 L HA 0.419 4.759 4.340 0.000 0.000 0.277 254 L C -0.777 176.061 176.870 -0.053 0.000 0.996 254 L CA -0.108 54.700 54.840 -0.054 0.000 0.822 254 L CB 1.989 44.032 42.059 -0.027 0.000 1.256 254 L HN 0.708 nan 8.230 nan 0.000 0.413 255 T N 5.248 119.772 114.554 -0.050 0.000 2.770 255 T HA 0.686 5.036 4.350 0.000 0.000 0.283 255 T C -0.303 174.425 174.700 0.046 0.000 0.988 255 T CA -0.317 61.770 62.100 -0.022 0.000 0.957 255 T CB 0.544 69.381 68.868 -0.052 0.000 0.930 255 T HN 0.259 nan 8.240 nan 0.000 0.443 256 L N 3.326 124.584 121.223 0.058 0.000 2.356 256 L HA 0.541 4.881 4.340 0.000 0.000 0.277 256 L C 0.038 176.941 176.870 0.056 0.000 0.996 256 L CA -0.890 54.015 54.840 0.108 0.000 0.822 256 L CB 1.751 43.895 42.059 0.141 0.000 1.256 256 L HN 0.458 nan 8.230 nan 0.000 0.413 257 E N 5.415 125.622 120.200 0.011 0.000 2.149 257 E HA 0.471 4.821 4.350 0.000 0.000 0.255 257 E C -0.552 176.015 176.600 -0.054 0.000 0.888 257 E CA -0.246 56.148 56.400 -0.011 0.000 0.742 257 E CB 2.265 31.962 29.700 -0.006 0.000 1.164 257 E HN 0.510 nan 8.360 nan 0.000 0.422 258 L N 0.206 121.439 121.223 0.017 0.000 2.849 258 L HA 0.573 4.913 4.340 0.000 0.000 0.230 258 L C 1.158 178.040 176.870 0.021 0.000 1.589 258 L CA -1.117 53.749 54.840 0.044 0.000 1.664 258 L CB 0.158 42.297 42.059 0.133 0.000 2.392 258 L HN 0.401 nan 8.230 nan 0.000 0.586 259 G N -1.204 107.607 108.800 0.018 0.000 2.503 259 G HA2 0.477 4.437 3.960 0.000 0.000 0.257 259 G HA3 0.477 4.437 3.960 0.000 0.000 0.257 259 G C -0.297 174.502 174.900 -0.169 0.000 1.214 259 G CA 0.207 45.225 45.100 -0.137 0.000 0.839 259 G HN 0.676 nan 8.290 nan 0.000 0.559 260 G N -0.739 107.945 108.800 -0.194 0.000 3.119 260 G HA2 0.475 4.435 3.960 0.000 0.000 0.206 260 G HA3 0.475 4.435 3.960 0.000 0.000 0.206 260 G C -0.457 174.359 174.900 -0.140 0.000 1.313 260 G CA -0.562 44.497 45.100 -0.068 0.000 1.010 260 G HN 0.775 nan 8.290 nan 0.000 0.578 261 N N -1.238 117.520 118.700 0.097 0.000 2.968 261 N HA 0.273 5.013 4.740 0.000 0.000 0.192 261 N C -0.323 175.285 175.510 0.164 0.000 1.357 261 N CA -0.040 53.090 53.050 0.133 0.000 1.069 261 N CB 0.238 38.883 38.487 0.264 0.000 1.596 261 N HN 0.715 nan 8.380 nan 0.000 0.588 262 A N 1.902 124.765 122.820 0.072 0.000 2.524 262 A HA 0.464 4.784 4.320 0.000 0.000 0.250 262 A C -2.291 175.272 177.584 -0.034 0.000 1.078 262 A CA -0.470 51.555 52.037 -0.020 0.000 0.761 262 A CB -0.141 18.857 19.000 -0.003 0.000 1.012 262 A HN 0.324 nan 8.150 nan 0.000 0.500 263 P HA 0.333 nan 4.420 nan 0.000 0.292 263 P C -0.977 176.365 177.300 0.069 0.000 1.287 263 P CA -0.126 62.972 63.100 -0.002 0.000 0.800 263 P CB 0.569 32.174 31.700 -0.158 0.000 0.945 264 F N 4.694 124.647 119.950 0.004 0.000 2.332 264 F HA 0.481 5.008 4.527 0.000 0.000 0.368 264 F C -0.448 175.465 175.800 0.188 0.000 1.110 264 F CA -0.721 57.332 58.000 0.089 0.000 1.087 264 F CB 0.352 39.258 39.000 -0.157 0.000 1.235 264 F HN 0.136 nan 8.300 nan 0.000 0.470 265 I N 7.052 127.613 120.570 -0.014 0.000 2.330 265 I HA 0.321 4.491 4.170 0.000 0.000 0.289 265 I C -0.948 175.219 176.117 0.084 0.000 1.001 265 I CA -0.775 60.561 61.300 0.061 0.000 1.193 265 I CB 1.419 39.392 38.000 -0.045 0.000 1.345 265 I HN 0.195 nan 8.210 nan 0.000 0.461 266 V N 7.024 127.016 119.914 0.131 0.000 2.384 266 V HA 0.399 4.519 4.120 0.000 0.000 0.287 266 V C -0.228 175.979 176.094 0.188 0.000 1.020 266 V CA -0.574 61.799 62.300 0.123 0.000 0.850 266 V CB 1.168 32.885 31.823 -0.176 0.000 0.987 266 V HN 0.374 nan 8.190 nan 0.000 0.436 267 F N 2.024 122.129 119.950 0.259 0.000 2.377 267 F HA 0.312 4.839 4.527 0.000 0.000 0.328 267 F C 1.533 177.408 175.800 0.125 0.000 1.094 267 F CA 0.136 58.318 58.000 0.304 0.000 1.093 267 F CB 1.086 40.242 39.000 0.260 0.000 1.214 267 F HN 0.668 nan 8.300 nan 0.000 0.518 268 D N 1.336 121.825 120.400 0.148 0.000 3.818 268 D HA -0.361 4.279 4.640 0.000 0.000 0.506 268 D C 1.312 177.645 176.300 0.055 0.000 1.227 268 D CA 2.560 56.503 54.000 -0.095 0.000 1.422 268 D CB -0.276 40.415 40.800 -0.181 0.000 0.651 268 D HN 0.675 nan 8.370 nan 0.000 0.626 269 D N -0.328 120.146 120.400 0.123 0.000 2.395 269 D HA 0.264 4.904 4.640 0.000 0.000 0.226 269 D C 0.060 176.439 176.300 0.132 0.000 1.146 269 D CA 0.256 54.314 54.000 0.096 0.000 0.830 269 D CB -0.558 40.278 40.800 0.060 0.000 0.958 269 D HN 0.393 nan 8.370 nan 0.000 0.501 270 A N 0.430 123.364 122.820 0.190 0.000 2.366 270 A HA 0.157 4.477 4.320 0.000 0.000 0.249 270 A C 0.314 178.009 177.584 0.184 0.000 1.084 270 A CA -0.387 51.785 52.037 0.226 0.000 0.794 270 A CB 0.316 19.485 19.000 0.283 0.000 1.034 270 A HN 0.193 nan 8.150 nan 0.000 0.491 271 D N 1.820 122.346 120.400 0.210 0.000 2.374 271 D HA 0.132 4.772 4.640 0.000 0.000 0.240 271 D C 0.893 177.296 176.300 0.171 0.000 1.229 271 D CA -0.365 53.738 54.000 0.172 0.000 0.895 271 D CB 0.386 41.291 40.800 0.174 0.000 1.046 271 D HN 0.273 nan 8.370 nan 0.000 0.498 272 L N 4.113 125.422 121.223 0.144 0.000 2.043 272 L HA -0.205 4.135 4.340 0.000 0.000 0.212 272 L C 1.740 178.677 176.870 0.112 0.000 1.075 272 L CA 1.667 56.600 54.840 0.155 0.000 0.752 272 L CB -0.623 41.517 42.059 0.135 0.000 0.891 272 L HN 0.387 nan 8.230 nan 0.000 0.432 273 D N -1.062 119.384 120.400 0.078 0.000 2.117 273 D HA -0.112 4.528 4.640 0.000 0.000 0.198 273 D C 2.210 178.548 176.300 0.063 0.000 0.982 273 D CA 1.337 55.364 54.000 0.046 0.000 0.828 273 D CB -0.108 40.717 40.800 0.041 0.000 0.967 273 D HN 0.343 nan 8.370 nan 0.000 0.464 274 A N 0.799 123.687 122.820 0.113 0.000 1.873 274 A HA 0.026 4.346 4.320 0.000 0.000 0.215 274 A C 2.276 179.911 177.584 0.085 0.000 1.186 274 A CA 1.977 54.122 52.037 0.179 0.000 0.616 274 A CB -0.919 18.256 19.000 0.292 0.000 0.823 274 A HN 0.213 nan 8.150 nan 0.000 0.442 275 A N -0.380 122.381 122.820 -0.098 0.000 1.873 275 A HA -0.122 4.198 4.320 0.000 0.000 0.218 275 A C 2.253 179.826 177.584 -0.019 0.000 1.193 275 A CA 2.142 53.893 52.037 -0.476 0.000 0.629 275 A CB -1.191 17.765 19.000 -0.075 0.000 0.826 275 A HN 0.453 nan 8.150 nan 0.000 0.447 276 V N 0.010 119.960 119.914 0.059 0.000 2.287 276 V HA -0.255 3.865 4.120 0.000 0.000 0.248 276 V C 3.131 179.200 176.094 -0.042 0.000 1.053 276 V CA 2.852 65.109 62.300 -0.072 0.000 1.027 276 V CB -1.467 30.237 31.823 -0.199 0.000 0.646 276 V HN 0.825 nan 8.190 nan 0.000 0.447 277 E N 0.359 120.565 120.200 0.011 0.000 2.070 277 E HA -0.257 4.093 4.350 0.000 0.000 0.197 277 E C 2.302 178.954 176.600 0.086 0.000 1.004 277 E CA 1.838 58.265 56.400 0.046 0.000 0.805 277 E CB -1.455 28.291 29.700 0.077 0.000 0.744 277 E HN 0.678 nan 8.360 nan 0.000 0.451 278 G N -0.214 108.687 108.800 0.168 0.000 2.484 278 G HA2 0.149 4.109 3.960 0.000 0.000 0.218 278 G HA3 0.149 4.109 3.960 0.000 0.000 0.218 278 G C 1.898 176.879 174.900 0.134 0.000 1.130 278 G CA 1.333 46.597 45.100 0.273 0.000 0.784 278 G HN 0.901 nan 8.290 nan 0.000 0.543 279 A N 0.567 123.354 122.820 -0.056 0.000 2.066 279 A HA 0.161 4.481 4.320 0.000 0.000 0.218 279 A C 2.195 179.745 177.584 -0.057 0.000 1.157 279 A CA 0.798 52.622 52.037 -0.356 0.000 0.670 279 A CB -0.133 18.671 19.000 -0.326 0.000 0.804 279 A HN 0.308 nan 8.150 nan 0.000 0.453 280 I N -0.666 119.920 120.570 0.028 0.000 2.494 280 I HA -0.067 4.103 4.170 0.000 0.000 0.250 280 I C 2.861 179.046 176.117 0.112 0.000 1.112 280 I CA 1.204 62.595 61.300 0.153 0.000 1.438 280 I CB -1.487 36.552 38.000 0.065 0.000 1.111 280 I HN 0.330 nan 8.210 nan 0.000 0.431 281 A N 1.433 124.283 122.820 0.050 0.000 1.877 281 A HA -0.211 4.109 4.320 0.000 0.000 0.216 281 A C 2.524 180.097 177.584 -0.018 0.000 1.186 281 A CA 2.548 54.605 52.037 0.034 0.000 0.620 281 A CB -0.800 18.227 19.000 0.045 0.000 0.822 281 A HN 0.532 nan 8.150 nan 0.000 0.443 282 S N -1.177 114.455 115.700 -0.113 0.000 2.446 282 S HA -0.013 4.457 4.470 0.000 0.000 0.225 282 S C 1.721 176.212 174.600 -0.181 0.000 1.016 282 S CA 1.423 59.484 58.200 -0.232 0.000 0.943 282 S CB -0.013 62.816 63.200 -0.619 0.000 0.786 282 S HN 0.449 nan 8.310 nan 0.000 0.508 283 K N -0.092 120.198 120.400 -0.183 0.000 2.313 283 K HA 0.315 4.635 4.320 0.000 0.000 0.197 283 K C 0.690 177.036 176.600 -0.423 0.000 1.061 283 K CA 0.576 56.665 56.287 -0.330 0.000 0.980 283 K CB -0.126 32.175 32.500 -0.332 0.000 0.888 283 K HN 0.440 nan 8.250 nan 0.000 0.502 284 Y N 0.608 120.909 120.300 0.003 0.000 2.481 284 Y HA 0.288 4.838 4.550 0.000 0.000 0.247 284 Y C -0.092 175.815 175.900 0.012 0.000 1.151 284 Y CA -0.574 57.533 58.100 0.012 0.000 1.238 284 Y CB 0.295 38.759 38.460 0.007 0.000 1.179 284 Y HN -0.084 nan 8.280 nan 0.000 0.524 285 R N 0.544 121.112 120.500 0.113 0.000 2.490 285 R HA 0.176 4.516 4.340 0.000 0.000 0.280 285 R C 0.423 176.757 176.300 0.056 0.000 1.077 285 R CA 0.022 56.172 56.100 0.084 0.000 1.065 285 R CB 0.170 30.516 30.300 0.076 0.000 1.003 285 R HN 0.143 nan 8.270 nan 0.000 0.470 286 N N 1.217 119.938 118.700 0.034 0.000 2.714 286 N HA -0.293 4.447 4.740 0.000 0.000 0.250 286 N C -0.803 174.731 175.510 0.041 0.000 1.117 286 N CA 1.377 54.425 53.050 -0.003 0.000 0.719 286 N CB -1.189 37.252 38.487 -0.076 0.000 1.081 286 N HN 0.994 nan 8.380 nan 0.000 0.557 287 N N -1.214 117.530 118.700 0.073 0.000 2.725 287 N HA -0.179 4.561 4.740 0.000 0.000 0.249 287 N C 0.767 176.312 175.510 0.059 0.000 1.103 287 N CA 2.386 55.498 53.050 0.103 0.000 0.707 287 N CB -1.449 37.094 38.487 0.093 0.000 1.043 287 N HN 1.354 nan 8.380 nan 0.000 0.553 288 G N -1.382 107.410 108.800 -0.013 0.000 2.143 288 G HA2 -0.334 3.626 3.960 0.000 0.000 0.249 288 G HA3 -0.334 3.626 3.960 0.000 0.000 0.249 288 G C 0.285 175.046 174.900 -0.232 0.000 0.981 288 G CA 0.522 45.545 45.100 -0.128 0.000 0.665 288 G HN 0.590 nan 8.290 nan 0.000 0.528 289 Q N 0.644 120.358 119.800 -0.143 0.000 2.201 289 Q HA 0.213 4.553 4.340 0.000 0.000 0.217 289 Q C 1.135 176.938 176.000 -0.328 0.000 0.860 289 Q CA 0.593 56.281 55.803 -0.192 0.000 0.984 289 Q CB 0.552 29.506 28.738 0.360 0.000 1.095 289 Q HN 0.701 nan 8.270 nan 0.000 0.477 290 T N -3.925 110.451 114.554 -0.297 0.000 2.918 290 T HA 0.128 4.478 4.350 0.000 0.000 0.283 290 T C 1.422 175.988 174.700 -0.223 0.000 1.001 290 T CA -0.799 61.270 62.100 -0.051 0.000 1.041 290 T CB 1.440 70.399 68.868 0.151 0.000 1.028 290 T HN 0.228 nan 8.240 nan 0.000 0.511 291 C N 1.380 120.685 119.300 0.008 0.000 2.413 291 C HA -0.032 4.428 4.460 0.000 0.000 0.276 291 C C 2.453 177.448 174.990 0.009 0.000 1.248 291 C CA 0.696 59.744 59.018 0.051 0.000 1.742 291 C CB -1.588 26.229 27.740 0.128 0.000 2.017 291 C HN 0.877 nan 8.230 nan 0.000 0.481 292 V N -2.137 117.810 119.914 0.054 0.000 3.252 292 V HA 0.297 4.417 4.120 0.000 0.000 0.350 292 V C 0.414 176.571 176.094 0.105 0.000 1.329 292 V CA -0.660 61.680 62.300 0.065 0.000 1.258 292 V CB -1.869 30.028 31.823 0.123 0.000 1.208 292 V HN 0.550 nan 8.190 nan 0.000 0.462 293 C N 2.042 121.328 119.300 -0.024 0.000 2.585 293 C HA 0.353 4.813 4.460 0.000 0.000 0.406 293 C C 1.485 176.454 174.990 -0.035 0.000 1.312 293 C CA 0.397 59.379 59.018 -0.061 0.000 1.924 293 C CB -0.098 27.509 27.740 -0.221 0.000 2.578 293 C HN 0.695 nan 8.230 nan 0.000 0.580 294 T N 4.103 118.639 114.554 -0.030 0.000 2.891 294 T HA -0.069 4.281 4.350 0.000 0.000 0.296 294 T C 0.964 175.542 174.700 -0.203 0.000 1.025 294 T CA 0.954 62.967 62.100 -0.145 0.000 1.149 294 T CB 0.089 68.657 68.868 -0.500 0.000 1.007 294 T HN 0.857 nan 8.240 nan 0.000 0.528 295 N N 1.867 120.491 118.700 -0.126 0.000 2.297 295 N HA 0.127 4.867 4.740 0.000 0.000 0.208 295 N C -0.219 175.309 175.510 0.030 0.000 1.176 295 N CA -0.016 53.019 53.050 -0.026 0.000 0.882 295 N CB 0.710 39.221 38.487 0.041 0.000 1.134 295 N HN 0.408 nan 8.380 nan 0.000 0.489 296 R N 0.198 120.673 120.500 -0.041 0.000 2.500 296 R HA 0.285 4.625 4.340 0.000 0.000 0.299 296 R C -1.490 174.756 176.300 -0.089 0.000 1.038 296 R CA -0.600 55.473 56.100 -0.045 0.000 0.903 296 R CB 1.006 31.162 30.300 -0.241 0.000 1.177 296 R HN -0.022 nan 8.270 nan 0.000 0.455 297 F N 3.045 123.060 119.950 0.108 0.000 2.438 297 F HA 0.309 4.836 4.527 0.000 0.000 0.356 297 F C 0.033 175.833 175.800 0.000 0.000 1.099 297 F CA 0.003 58.092 58.000 0.148 0.000 1.185 297 F CB 0.546 39.629 39.000 0.138 0.000 1.115 297 F HN 0.337 nan 8.300 nan 0.000 0.526 298 F N 3.466 123.633 119.950 0.361 0.000 2.382 298 F HA 0.531 5.058 4.527 0.000 0.000 0.361 298 F C -0.540 175.482 175.800 0.370 0.000 1.109 298 F CA -0.917 57.281 58.000 0.331 0.000 1.031 298 F CB 1.178 40.228 39.000 0.083 0.000 1.234 298 F HN 0.010 nan 8.300 nan 0.000 0.445 299 V N 2.690 122.863 119.914 0.431 0.000 2.628 299 V HA 0.295 4.415 4.120 0.000 0.000 0.306 299 V C 0.042 176.023 176.094 -0.188 0.000 1.045 299 V CA -1.005 61.355 62.300 0.100 0.000 0.905 299 V CB 1.527 33.258 31.823 -0.153 0.000 0.997 299 V HN 0.555 nan 8.190 nan 0.000 0.436 300 H N 2.262 120.997 119.070 -0.558 0.000 2.815 300 H HA 0.098 4.654 4.556 0.000 0.000 0.350 300 H C 1.162 176.287 175.328 -0.339 0.000 1.080 300 H CA 0.788 56.290 56.048 -0.910 0.000 1.433 300 H CB 1.121 30.554 29.762 -0.548 0.000 1.432 300 H HN 0.928 nan 8.280 nan 0.000 0.592 301 E N 3.719 123.805 120.200 -0.190 0.000 2.086 301 E HA -0.284 4.066 4.350 0.000 0.000 0.205 301 E C 1.888 178.567 176.600 0.133 0.000 1.027 301 E CA 1.630 58.032 56.400 0.004 0.000 0.830 301 E CB 0.141 29.823 29.700 -0.030 0.000 0.751 301 E HN 0.622 nan 8.360 nan 0.000 0.456 302 R N -0.559 120.068 120.500 0.211 0.000 2.193 302 R HA -0.118 4.222 4.340 0.000 0.000 0.229 302 R C 2.079 178.425 176.300 0.076 0.000 1.110 302 R CA 1.335 57.484 56.100 0.083 0.000 0.988 302 R CB 0.119 30.407 30.300 -0.020 0.000 0.871 302 R HN 0.279 nan 8.270 nan 0.000 0.458 303 V N -4.206 115.770 119.914 0.104 0.000 3.432 303 V HA 0.094 4.214 4.120 0.000 0.000 0.298 303 V C 1.383 177.578 176.094 0.168 0.000 1.464 303 V CA -0.432 61.935 62.300 0.112 0.000 1.046 303 V CB -0.564 31.311 31.823 0.087 0.000 0.887 303 V HN 0.087 nan 8.190 nan 0.000 0.441 304 Y N 2.674 123.005 120.300 0.052 0.000 1.979 304 Y HA -0.267 4.283 4.550 0.000 0.000 0.262 304 Y C 2.367 178.336 175.900 0.116 0.000 1.142 304 Y CA 2.745 60.889 58.100 0.073 0.000 1.096 304 Y CB -0.234 38.240 38.460 0.025 0.000 0.958 304 Y HN 0.298 nan 8.280 nan 0.000 0.484 305 D N 0.088 120.681 120.400 0.322 0.000 2.149 305 D HA -0.227 4.413 4.640 0.000 0.000 0.198 305 D C 2.230 178.572 176.300 0.070 0.000 0.990 305 D CA 1.380 55.486 54.000 0.178 0.000 0.839 305 D CB -0.647 40.251 40.800 0.163 0.000 0.948 305 D HN 0.524 nan 8.370 nan 0.000 0.460 306 A N 1.115 123.988 122.820 0.088 0.000 1.873 306 A HA -0.228 4.092 4.320 0.000 0.000 0.218 306 A C 2.133 179.742 177.584 0.041 0.000 1.193 306 A CA 1.408 53.480 52.037 0.059 0.000 0.629 306 A CB -1.167 17.880 19.000 0.078 0.000 0.826 306 A HN 0.243 nan 8.150 nan 0.000 0.447 307 F N 0.890 120.795 119.950 -0.076 0.000 2.069 307 F HA -0.115 4.412 4.527 0.000 0.000 0.298 307 F C 2.597 178.283 175.800 -0.190 0.000 1.113 307 F CA 1.508 59.431 58.000 -0.128 0.000 1.214 307 F CB -0.626 38.290 39.000 -0.139 0.000 0.978 307 F HN 0.260 nan 8.300 nan 0.000 0.474 308 A N 0.078 122.780 122.820 -0.197 0.000 1.908 308 A HA -0.242 4.078 4.320 0.000 0.000 0.218 308 A C 2.046 179.473 177.584 -0.262 0.000 1.181 308 A CA 2.120 53.980 52.037 -0.295 0.000 0.627 308 A CB -1.181 17.695 19.000 -0.206 0.000 0.818 308 A HN 0.490 nan 8.150 nan 0.000 0.445 309 D N -0.167 120.135 120.400 -0.164 0.000 2.103 309 D HA -0.157 4.483 4.640 0.000 0.000 0.190 309 D C 1.990 178.174 176.300 -0.194 0.000 0.997 309 D CA 1.619 55.537 54.000 -0.137 0.000 0.833 309 D CB -0.301 40.453 40.800 -0.077 0.000 0.961 309 D HN 0.488 nan 8.370 nan 0.000 0.447 310 K N -0.005 120.256 120.400 -0.231 0.000 2.057 310 K HA -0.140 4.180 4.320 0.000 0.000 0.207 310 K C 2.168 178.563 176.600 -0.342 0.000 1.049 310 K CA 0.424 56.564 56.287 -0.246 0.000 0.931 310 K CB -0.310 32.062 32.500 -0.213 0.000 0.714 310 K HN 0.064 nan 8.250 nan 0.000 0.440 311 L N 1.340 122.232 121.223 -0.551 0.000 1.976 311 L HA -0.146 4.194 4.340 0.000 0.000 0.209 311 L C 2.339 178.994 176.870 -0.359 0.000 1.071 311 L CA 1.946 56.439 54.840 -0.577 0.000 0.746 311 L CB -0.825 40.685 42.059 -0.916 0.000 0.890 311 L HN 0.148 nan 8.230 nan 0.000 0.432 312 A N -0.397 122.242 122.820 -0.302 0.000 1.927 312 A HA -0.266 4.054 4.320 0.000 0.000 0.220 312 A C 2.456 179.933 177.584 -0.178 0.000 1.185 312 A CA 2.454 54.367 52.037 -0.207 0.000 0.639 312 A CB -1.382 17.523 19.000 -0.160 0.000 0.820 312 A HN 0.645 nan 8.150 nan 0.000 0.451 313 A N -0.242 122.475 122.820 -0.171 0.000 1.859 313 A HA 0.061 4.381 4.320 0.000 0.000 0.217 313 A C 2.577 180.074 177.584 -0.146 0.000 1.198 313 A CA 2.709 54.663 52.037 -0.139 0.000 0.629 313 A CB -1.254 17.671 19.000 -0.125 0.000 0.830 313 A HN 1.253 nan 8.150 nan 0.000 0.446 314 A N -0.906 121.810 122.820 -0.172 0.000 1.933 314 A HA 0.020 4.340 4.320 0.000 0.000 0.218 314 A C 2.222 179.692 177.584 -0.191 0.000 1.175 314 A CA 1.789 53.728 52.037 -0.163 0.000 0.628 314 A CB -0.903 17.995 19.000 -0.170 0.000 0.814 314 A HN 0.436 nan 8.150 nan 0.000 0.444 315 V N 0.933 120.701 119.914 -0.243 0.000 2.427 315 V HA -0.210 3.910 4.120 0.000 0.000 0.248 315 V C 2.878 178.824 176.094 -0.247 0.000 1.051 315 V CA 2.235 64.336 62.300 -0.331 0.000 1.048 315 V CB -0.749 30.854 31.823 -0.368 0.000 0.666 315 V HN 0.815 nan 8.190 nan 0.000 0.456 316 S N 0.470 116.065 115.700 -0.175 0.000 2.515 316 S HA -0.068 4.402 4.470 0.000 0.000 0.231 316 S C 1.853 176.389 174.600 -0.107 0.000 0.987 316 S CA 1.145 59.269 58.200 -0.126 0.000 0.936 316 S CB -0.374 62.765 63.200 -0.102 0.000 0.766 316 S HN 0.625 nan 8.310 nan 0.000 0.528 317 K N 0.879 121.210 120.400 -0.115 0.000 2.444 317 K HA 0.494 4.814 4.320 0.000 0.000 0.193 317 K C 0.611 177.158 176.600 -0.088 0.000 1.024 317 K CA 0.279 56.512 56.287 -0.090 0.000 1.077 317 K CB -0.760 31.691 32.500 -0.082 0.000 0.833 317 K HN 0.605 nan 8.250 nan 0.000 0.517 318 L N 1.295 122.447 121.223 -0.117 0.000 2.349 318 L HA 0.324 4.664 4.340 0.000 0.000 0.275 318 L C 0.116 176.941 176.870 -0.076 0.000 1.115 318 L CA -0.782 53.994 54.840 -0.106 0.000 0.820 318 L CB 1.537 43.496 42.059 -0.167 0.000 1.135 318 L HN 0.063 nan 8.230 nan 0.000 0.445 319 K N 2.140 122.508 120.400 -0.053 0.000 2.263 319 K HA 0.393 4.713 4.320 0.000 0.000 0.272 319 K C -1.023 175.548 176.600 -0.049 0.000 1.033 319 K CA -0.362 55.896 56.287 -0.047 0.000 0.884 319 K CB 1.207 33.685 32.500 -0.037 0.000 1.107 319 K HN 0.252 nan 8.250 nan 0.000 0.460 320 V N 3.525 123.386 119.914 -0.089 0.000 2.461 320 V HA 0.776 4.896 4.120 0.000 0.000 0.275 320 V C 0.692 176.652 176.094 -0.222 0.000 1.047 320 V CA 0.040 62.256 62.300 -0.140 0.000 0.955 320 V CB 0.853 32.489 31.823 -0.312 0.000 0.988 320 V HN 0.938 nan 8.190 nan 0.000 0.471 321 G N 2.761 111.488 108.800 -0.121 0.000 2.342 321 G HA2 0.592 4.552 3.960 0.000 0.000 0.297 321 G HA3 0.592 4.552 3.960 0.000 0.000 0.297 321 G C -0.535 174.412 174.900 0.079 0.000 1.313 321 G CA -0.438 44.532 45.100 -0.217 0.000 0.830 321 G HN 0.866 nan 8.290 nan 0.000 0.506 322 R N -0.584 119.942 120.500 0.043 0.000 2.583 322 R HA 0.477 4.817 4.340 0.000 0.000 0.274 322 R C 1.691 178.077 176.300 0.143 0.000 0.998 322 R CA 1.189 57.416 56.100 0.212 0.000 1.081 322 R CB -0.396 29.973 30.300 0.115 0.000 0.940 322 R HN 2.223 nan 8.270 nan 0.000 0.413 323 G N 0.128 109.015 108.800 0.145 0.000 2.498 323 G HA2 -0.231 3.729 3.960 0.000 0.000 0.219 323 G HA3 -0.231 3.729 3.960 0.000 0.000 0.219 323 G C 1.519 176.451 174.900 0.053 0.000 1.119 323 G CA 1.573 46.724 45.100 0.085 0.000 0.766 323 G HN 0.945 nan 8.290 nan 0.000 0.552 324 T N -1.913 112.671 114.554 0.050 0.000 3.031 324 T HA 0.150 4.500 4.350 0.000 0.000 0.254 324 T C 1.019 175.733 174.700 0.023 0.000 1.060 324 T CA 0.171 62.290 62.100 0.031 0.000 1.135 324 T CB 0.005 68.889 68.868 0.026 0.000 0.896 324 T HN 0.342 nan 8.240 nan 0.000 0.472 325 E N 1.990 122.205 120.200 0.024 0.000 2.442 325 E HA 0.086 4.436 4.350 0.000 0.000 0.262 325 E C -0.687 175.917 176.600 0.008 0.000 1.004 325 E CA -0.133 56.273 56.400 0.010 0.000 0.928 325 E CB 0.414 30.113 29.700 -0.001 0.000 0.937 325 E HN 0.299 nan 8.360 nan 0.000 0.446 326 S N 1.889 117.589 115.700 0.001 0.000 2.576 326 S HA 0.370 4.840 4.470 0.000 0.000 0.276 326 S C 0.945 175.543 174.600 -0.004 0.000 1.339 326 S CA 0.205 58.405 58.200 0.000 0.000 1.039 326 S CB 1.205 64.404 63.200 -0.001 0.000 0.902 326 S HN 0.841 nan 8.310 nan 0.000 0.516 327 G N 1.377 110.176 108.800 -0.003 0.000 2.267 327 G HA2 -0.250 3.710 3.960 0.000 0.000 0.257 327 G HA3 -0.250 3.710 3.960 0.000 0.000 0.257 327 G C 0.271 175.167 174.900 -0.008 0.000 0.998 327 G CA 0.005 45.101 45.100 -0.007 0.000 0.620 327 G HN 1.270 nan 8.290 nan 0.000 0.529 328 A N 0.885 123.703 122.820 -0.003 0.000 2.484 328 A HA 0.604 4.924 4.320 0.000 0.000 0.268 328 A C 1.388 178.983 177.584 0.019 0.000 1.114 328 A CA 1.620 53.659 52.037 0.004 0.000 0.780 328 A CB 0.115 19.124 19.000 0.016 0.000 1.061 328 A HN 1.404 nan 8.150 nan 0.000 0.505 329 T N 0.310 114.873 114.554 0.015 0.000 3.040 329 T HA 0.425 4.775 4.350 0.000 0.000 0.266 329 T C 0.088 174.813 174.700 0.043 0.000 1.005 329 T CA 0.063 62.176 62.100 0.022 0.000 0.906 329 T CB -0.347 68.524 68.868 0.005 0.000 1.082 329 T HN 0.376 nan 8.240 nan 0.000 0.531 330 L N 1.764 123.022 121.223 0.058 0.000 2.406 330 L HA 0.710 5.050 4.340 0.000 0.000 0.270 330 L C 0.608 177.574 176.870 0.160 0.000 0.982 330 L CA -1.159 53.739 54.840 0.096 0.000 0.843 330 L CB 1.883 43.996 42.059 0.090 0.000 1.225 330 L HN 0.263 nan 8.230 nan 0.000 0.412 331 G N 3.051 111.925 108.800 0.124 0.000 2.525 331 G HA2 0.623 4.583 3.960 0.000 0.000 0.287 331 G HA3 0.623 4.583 3.960 0.000 0.000 0.287 331 G C -2.717 172.112 174.900 -0.119 0.000 1.350 331 G CA -1.013 44.146 45.100 0.098 0.000 1.039 331 G HN 0.309 nan 8.290 nan 0.000 0.513 332 P HA 0.289 nan 4.420 nan 0.000 0.284 332 P C -0.205 176.916 177.300 -0.298 0.000 1.258 332 P CA -0.699 61.951 63.100 -0.751 0.000 0.824 332 P CB 1.254 32.186 31.700 -1.279 0.000 1.038 333 L N 2.501 123.614 121.223 -0.183 0.000 2.492 333 L HA -0.039 4.301 4.340 0.000 0.000 0.280 333 L C 2.285 179.027 176.870 -0.212 0.000 1.240 333 L CA 0.201 54.967 54.840 -0.124 0.000 0.831 333 L CB -0.957 41.049 42.059 -0.088 0.000 1.100 333 L HN 0.421 nan 8.230 nan 0.000 0.505 334 I N 1.562 121.944 120.570 -0.313 0.000 2.248 334 I HA -0.253 3.917 4.170 0.000 0.000 0.248 334 I C 0.894 176.801 176.117 -0.351 0.000 1.107 334 I CA 1.381 62.390 61.300 -0.483 0.000 1.373 334 I CB -0.134 37.155 38.000 -1.184 0.000 1.055 334 I HN 1.020 nan 8.210 nan 0.000 0.418 335 N N -3.352 115.177 118.700 -0.285 0.000 3.308 335 N HA 0.109 4.849 4.740 0.000 0.000 0.276 335 N C 0.405 175.841 175.510 -0.124 0.000 1.533 335 N CA -0.542 52.395 53.050 -0.188 0.000 0.878 335 N CB 0.156 38.522 38.487 -0.202 0.000 1.566 335 N HN -0.255 nan 8.380 nan 0.000 0.546 336 E N 0.016 120.165 120.200 -0.084 0.000 2.038 336 E HA -0.146 4.204 4.350 0.000 0.000 0.195 336 E C 1.747 178.313 176.600 -0.056 0.000 1.000 336 E CA 2.078 58.448 56.400 -0.050 0.000 0.803 336 E CB -0.770 28.907 29.700 -0.037 0.000 0.750 336 E HN 0.665 nan 8.360 nan 0.000 0.448 337 A N 1.027 123.805 122.820 -0.070 0.000 1.972 337 A HA -0.103 4.217 4.320 0.000 0.000 0.219 337 A C 2.367 179.906 177.584 -0.075 0.000 1.169 337 A CA 2.072 54.072 52.037 -0.062 0.000 0.635 337 A CB -0.489 18.476 19.000 -0.059 0.000 0.810 337 A HN 0.281 nan 8.150 nan 0.000 0.446 338 A N -0.491 122.270 122.820 -0.098 0.000 1.873 338 A HA 0.012 4.332 4.320 0.000 0.000 0.215 338 A C 2.223 179.729 177.584 -0.131 0.000 1.186 338 A CA 1.716 53.696 52.037 -0.095 0.000 0.616 338 A CB -0.980 17.960 19.000 -0.100 0.000 0.823 338 A HN 0.377 nan 8.150 nan 0.000 0.442 339 V N 0.482 120.320 119.914 -0.125 0.000 2.255 339 V HA -0.285 3.835 4.120 0.000 0.000 0.247 339 V C 3.196 179.204 176.094 -0.144 0.000 1.051 339 V CA 2.905 65.110 62.300 -0.158 0.000 1.018 339 V CB -1.321 30.495 31.823 -0.011 0.000 0.641 339 V HN 0.746 nan 8.190 nan 0.000 0.445 340 K N 0.283 120.644 120.400 -0.064 0.000 2.113 340 K HA -0.290 4.030 4.320 0.000 0.000 0.208 340 K C 2.066 178.632 176.600 -0.056 0.000 1.047 340 K CA 2.297 58.565 56.287 -0.032 0.000 0.928 340 K CB -0.652 31.840 32.500 -0.014 0.000 0.716 340 K HN 0.524 nan 8.250 nan 0.000 0.446 341 K N 0.229 120.569 120.400 -0.100 0.000 2.025 341 K HA -0.022 4.298 4.320 0.000 0.000 0.207 341 K C 2.051 178.528 176.600 -0.204 0.000 1.049 341 K CA 1.437 57.640 56.287 -0.140 0.000 0.933 341 K CB -0.399 32.002 32.500 -0.165 0.000 0.714 341 K HN 0.160 nan 8.250 nan 0.000 0.438 342 V N 1.553 121.313 119.914 -0.257 0.000 2.287 342 V HA -0.276 3.844 4.120 0.000 0.000 0.248 342 V C 2.085 178.090 176.094 -0.149 0.000 1.053 342 V CA 2.225 64.343 62.300 -0.305 0.000 1.027 342 V CB -0.541 30.894 31.823 -0.647 0.000 0.646 342 V HN 0.416 nan 8.190 nan 0.000 0.447 343 E N 0.044 120.171 120.200 -0.122 0.000 2.070 343 E HA -0.262 4.088 4.350 0.000 0.000 0.197 343 E C 2.420 179.084 176.600 0.107 0.000 1.004 343 E CA 1.736 58.190 56.400 0.090 0.000 0.805 343 E CB -0.336 29.438 29.700 0.122 0.000 0.744 343 E HN 0.531 nan 8.360 nan 0.000 0.451 344 S N -0.456 115.293 115.700 0.082 0.000 2.399 344 S HA -0.182 4.288 4.470 0.000 0.000 0.231 344 S C 1.773 176.496 174.600 0.205 0.000 1.022 344 S CA 1.054 59.328 58.200 0.122 0.000 0.983 344 S CB -0.214 63.050 63.200 0.107 0.000 0.803 344 S HN 0.367 nan 8.310 nan 0.000 0.480 345 H N -0.183 118.909 119.070 0.038 0.000 2.363 345 H HA 0.054 4.610 4.556 0.000 0.000 0.301 345 H C 2.106 177.469 175.328 0.058 0.000 1.074 345 H CA 1.497 57.576 56.048 0.051 0.000 1.354 345 H CB -0.001 29.791 29.762 0.049 0.000 1.397 345 H HN 0.387 nan 8.280 nan 0.000 0.516 346 I N 0.800 121.487 120.570 0.196 0.000 2.113 346 I HA -0.270 3.900 4.170 0.000 0.000 0.238 346 I C 2.919 179.099 176.117 0.106 0.000 1.070 346 I CA 0.997 62.386 61.300 0.148 0.000 1.332 346 I CB -0.363 37.752 38.000 0.192 0.000 1.044 346 I HN 0.211 nan 8.210 nan 0.000 0.402 347 A N 0.640 123.525 122.820 0.109 0.000 1.884 347 A HA -0.390 3.930 4.320 0.000 0.000 0.219 347 A C 1.999 179.618 177.584 0.057 0.000 1.197 347 A CA 2.764 54.849 52.037 0.079 0.000 0.637 347 A CB -1.119 17.929 19.000 0.080 0.000 0.827 347 A HN 0.567 nan 8.150 nan 0.000 0.450 348 D N -0.752 119.682 120.400 0.058 0.000 2.117 348 D HA -0.014 4.626 4.640 0.000 0.000 0.197 348 D C 1.978 178.285 176.300 0.012 0.000 0.987 348 D CA 1.798 55.817 54.000 0.032 0.000 0.829 348 D CB -0.218 40.595 40.800 0.022 0.000 0.961 348 D HN 0.373 nan 8.370 nan 0.000 0.460 349 A N -0.241 122.583 122.820 0.006 0.000 1.898 349 A HA -0.058 4.262 4.320 0.000 0.000 0.216 349 A C 2.088 179.668 177.584 -0.007 0.000 1.181 349 A CA 0.905 52.933 52.037 -0.016 0.000 0.620 349 A CB -0.731 18.252 19.000 -0.028 0.000 0.819 349 A HN 0.315 nan 8.150 nan 0.000 0.442 350 L N -0.186 121.045 121.223 0.013 0.000 1.989 350 L HA -0.155 4.185 4.340 0.000 0.000 0.211 350 L C 2.966 179.842 176.870 0.010 0.000 1.071 350 L CA 2.026 56.874 54.840 0.014 0.000 0.749 350 L CB -1.187 40.888 42.059 0.027 0.000 0.890 350 L HN 0.403 nan 8.230 nan 0.000 0.431 351 A N -1.361 121.468 122.820 0.015 0.000 2.076 351 A HA -0.205 4.115 4.320 0.000 0.000 0.220 351 A C 2.074 179.663 177.584 0.007 0.000 1.160 351 A CA 1.565 53.610 52.037 0.013 0.000 0.653 351 A CB -0.419 18.592 19.000 0.018 0.000 0.801 351 A HN 0.451 nan 8.150 nan 0.000 0.455 352 K N -1.993 118.408 120.400 0.002 0.000 2.399 352 K HA 0.325 4.645 4.320 0.000 0.000 0.204 352 K C 0.844 177.437 176.600 -0.011 0.000 1.023 352 K CA 0.435 56.721 56.287 -0.003 0.000 1.127 352 K CB 0.410 32.908 32.500 -0.003 0.000 0.856 352 K HN 0.548 nan 8.250 nan 0.000 0.514 353 G N 0.709 109.502 108.800 -0.011 0.000 2.211 353 G HA2 -0.207 3.753 3.960 0.000 0.000 0.201 353 G HA3 -0.207 3.753 3.960 0.000 0.000 0.201 353 G C 0.157 175.044 174.900 -0.022 0.000 0.997 353 G CA -0.174 44.917 45.100 -0.016 0.000 0.652 353 G HN 0.377 nan 8.290 nan 0.000 0.500 354 A N 0.185 122.989 122.820 -0.027 0.000 2.351 354 A HA 0.793 5.113 4.320 0.000 0.000 0.257 354 A C 0.560 178.138 177.584 -0.009 0.000 1.087 354 A CA 0.786 52.805 52.037 -0.030 0.000 0.798 354 A CB 0.852 19.821 19.000 -0.051 0.000 1.033 354 A HN 0.909 nan 8.150 nan 0.000 0.488 355 S N -0.089 115.611 115.700 -0.000 0.000 2.509 355 S HA 0.461 4.931 4.470 0.000 0.000 0.297 355 S C -0.557 174.051 174.600 0.014 0.000 1.118 355 S CA -0.437 57.768 58.200 0.009 0.000 1.074 355 S CB 1.076 64.283 63.200 0.011 0.000 1.038 355 S HN 0.645 nan 8.310 nan 0.000 0.498 356 L N 4.567 125.798 121.223 0.014 0.000 2.385 356 L HA 0.352 4.692 4.340 0.000 0.000 0.285 356 L C 0.914 177.788 176.870 0.006 0.000 1.125 356 L CA 0.343 55.194 54.840 0.018 0.000 0.890 356 L CB 0.064 42.135 42.059 0.020 0.000 1.251 356 L HN 0.878 nan 8.230 nan 0.000 0.445 357 M N 2.412 122.014 119.600 0.002 0.000 2.319 357 M HA 0.030 4.510 4.480 0.000 0.000 0.265 357 M C 0.238 176.522 176.300 -0.026 0.000 1.068 357 M CA 1.100 56.391 55.300 -0.015 0.000 1.118 357 M CB 0.214 32.796 32.600 -0.030 0.000 1.395 357 M HN 0.654 nan 8.290 nan 0.000 0.435 358 T N -1.409 113.136 114.554 -0.015 0.000 2.775 358 T HA 0.510 4.860 4.350 0.000 0.000 0.320 358 T C -0.243 174.456 174.700 -0.000 0.000 1.597 358 T CA -0.072 62.014 62.100 -0.023 0.000 1.022 358 T CB 0.789 69.628 68.868 -0.048 0.000 1.485 358 T HN 0.650 nan 8.240 nan 0.000 0.494 359 G N 1.554 110.344 108.800 -0.017 0.000 2.583 359 G HA2 0.197 4.157 3.960 0.000 0.000 0.292 359 G HA3 0.197 4.157 3.960 0.000 0.000 0.292 359 G C 1.140 176.025 174.900 -0.025 0.000 1.203 359 G CA 1.490 46.579 45.100 -0.018 0.000 0.987 359 G HN 2.422 nan 8.290 nan 0.000 0.554 360 G N -3.307 105.498 108.800 0.009 0.000 2.176 360 G HA2 0.481 4.441 3.960 0.000 0.000 0.232 360 G HA3 0.481 4.441 3.960 0.000 0.000 0.232 360 G C 0.598 175.464 174.900 -0.057 0.000 0.986 360 G CA 1.721 46.855 45.100 0.057 0.000 0.643 360 G HN 2.610 nan 8.290 nan 0.000 0.522 361 K N 0.035 120.197 120.400 -0.397 0.000 2.512 361 K HA 0.873 5.193 4.320 0.000 0.000 0.263 361 K C 0.208 176.191 176.600 -1.028 0.000 0.966 361 K CA -0.311 55.669 56.287 -0.512 0.000 0.851 361 K CB 0.752 33.112 32.500 -0.234 0.000 1.395 361 K HN 0.641 nan 8.250 nan 0.000 0.440 362 R N 1.919 122.023 120.500 -0.661 0.000 2.585 362 R HA 0.056 4.396 4.340 0.000 0.000 0.275 362 R C 0.304 176.491 176.300 -0.188 0.000 1.018 362 R CA -0.364 55.533 56.100 -0.338 0.000 1.072 362 R CB 0.097 30.417 30.300 0.034 0.000 0.953 362 R HN 0.711 nan 8.270 nan 0.000 0.419 363 H N 1.679 120.675 119.070 -0.123 0.000 2.652 363 H HA 0.059 4.615 4.556 0.000 0.000 0.349 363 H C 0.790 176.093 175.328 -0.042 0.000 1.099 363 H CA 0.363 56.372 56.048 -0.065 0.000 1.417 363 H CB 1.428 31.202 29.762 0.020 0.000 1.457 363 H HN 0.767 nan 8.280 nan 0.000 0.568 364 A N 5.005 127.637 122.820 -0.313 0.000 2.032 364 A HA -0.185 4.135 4.320 0.000 0.000 0.221 364 A C 2.803 180.383 177.584 -0.008 0.000 1.165 364 A CA 1.770 53.711 52.037 -0.159 0.000 0.645 364 A CB -1.151 17.702 19.000 -0.245 0.000 0.807 364 A HN 0.690 nan 8.150 nan 0.000 0.453 365 L N -1.664 119.660 121.223 0.167 0.000 2.549 365 L HA 0.368 4.708 4.340 0.000 0.000 0.230 365 L C 1.844 178.753 176.870 0.064 0.000 1.162 365 L CA 1.587 56.440 54.840 0.022 0.000 0.834 365 L CB -2.254 39.614 42.059 -0.318 0.000 0.947 365 L HN 1.799 nan 8.230 nan 0.000 0.452 366 G N -2.395 106.463 108.800 0.098 0.000 2.645 366 G HA2 -0.183 3.777 3.960 0.000 0.000 0.239 366 G HA3 -0.183 3.777 3.960 0.000 0.000 0.239 366 G C 0.313 175.289 174.900 0.126 0.000 1.331 366 G CA 0.619 45.707 45.100 -0.020 0.000 0.890 366 G HN 1.766 nan 8.290 nan 0.000 0.572 367 H N -2.158 117.009 119.070 0.161 0.000 1.452 367 H HA -0.288 4.268 4.556 0.000 0.000 0.090 367 H C 2.127 177.495 175.328 0.067 0.000 0.670 367 H CA 2.679 58.785 56.048 0.097 0.000 1.901 367 H CB -1.318 28.501 29.762 0.095 0.000 2.257 367 H HN 1.708 nan 8.280 nan 0.000 0.961 368 G N 0.109 108.982 108.800 0.121 0.000 3.126 368 G HA2 0.254 4.214 3.960 0.000 0.000 0.224 368 G HA3 0.254 4.214 3.960 0.000 0.000 0.224 368 G C -0.329 174.546 174.900 -0.042 0.000 1.142 368 G CA -0.174 44.900 45.100 -0.044 0.000 0.759 368 G HN 0.174 nan 8.290 nan 0.000 0.550 369 F N 0.368 120.413 119.950 0.159 0.000 2.529 369 F HA 0.550 5.077 4.527 0.000 0.000 0.365 369 F C -0.154 175.806 175.800 0.266 0.000 1.102 369 F CA -0.388 57.702 58.000 0.149 0.000 1.271 369 F CB 0.604 39.642 39.000 0.062 0.000 1.120 369 F HN -0.042 nan 8.300 nan 0.000 0.579 370 F N 1.569 121.672 119.950 0.254 0.000 2.615 370 F HA 0.302 4.829 4.527 0.000 0.000 0.312 370 F C -0.637 175.278 175.800 0.191 0.000 1.119 370 F CA -0.966 57.153 58.000 0.198 0.000 0.979 370 F CB 1.382 40.460 39.000 0.129 0.000 1.266 370 F HN 0.444 nan 8.300 nan 0.000 0.444 371 E N 6.484 126.669 120.200 -0.025 0.000 2.366 371 E HA 0.166 4.516 4.350 0.000 0.000 0.266 371 E C -2.292 174.424 176.600 0.194 0.000 1.015 371 E CA -1.641 54.804 56.400 0.075 0.000 0.906 371 E CB 0.215 29.884 29.700 -0.053 0.000 0.979 371 E HN 0.175 nan 8.360 nan 0.000 0.443 372 P HA -0.069 nan 4.420 nan 0.000 0.264 372 P C -0.717 176.678 177.300 0.159 0.000 1.183 372 P CA 0.267 63.475 63.100 0.180 0.000 0.763 372 P CB 0.646 32.267 31.700 -0.131 0.000 0.807 373 T N 2.035 116.761 114.554 0.286 0.000 2.886 373 T HA 0.443 4.793 4.350 0.000 0.000 0.292 373 T C -0.536 174.283 174.700 0.198 0.000 1.012 373 T CA -0.465 61.763 62.100 0.213 0.000 0.982 373 T CB 1.415 70.445 68.868 0.271 0.000 1.018 373 T HN 0.079 nan 8.240 nan 0.000 0.451 374 V N 3.961 123.933 119.914 0.097 0.000 2.483 374 V HA 0.520 4.640 4.120 0.000 0.000 0.297 374 V C -0.671 175.440 176.094 0.028 0.000 1.027 374 V CA -0.789 61.537 62.300 0.045 0.000 0.855 374 V CB 1.586 33.383 31.823 -0.043 0.000 0.995 374 V HN 0.720 nan 8.190 nan 0.000 0.424 375 L N 4.631 125.873 121.223 0.032 0.000 2.329 375 L HA 0.754 5.094 4.340 0.000 0.000 0.279 375 L C 0.482 177.356 176.870 0.007 0.000 1.014 375 L CA -0.282 54.570 54.840 0.019 0.000 0.814 375 L CB 2.398 44.467 42.059 0.017 0.000 1.257 375 L HN 0.831 nan 8.230 nan 0.000 0.424 376 T N -1.931 112.642 114.554 0.031 0.000 2.949 376 T HA 0.585 4.935 4.350 0.000 0.000 0.287 376 T C 0.782 175.524 174.700 0.070 0.000 1.034 376 T CA -0.101 62.070 62.100 0.118 0.000 1.018 376 T CB 1.705 70.678 68.868 0.174 0.000 1.135 376 T HN 0.922 nan 8.240 nan 0.000 0.532 377 G N 0.275 109.139 108.800 0.107 0.000 2.356 377 G HA2 -0.151 3.809 3.960 0.000 0.000 0.296 377 G HA3 -0.151 3.809 3.960 0.000 0.000 0.296 377 G C -0.050 174.782 174.900 -0.113 0.000 1.022 377 G CA 0.100 45.176 45.100 -0.039 0.000 0.961 377 G HN 1.066 nan 8.290 nan 0.000 0.510 378 V N -0.247 119.533 119.914 -0.223 0.000 2.498 378 V HA 0.775 4.895 4.120 0.000 0.000 0.279 378 V C 0.694 176.470 176.094 -0.532 0.000 1.048 378 V CA 0.455 62.468 62.300 -0.478 0.000 0.967 378 V CB 1.128 32.455 31.823 -0.828 0.000 0.988 378 V HN 0.905 nan 8.190 nan 0.000 0.473 379 K N 5.212 125.440 120.400 -0.287 0.000 2.267 379 K HA 0.665 4.985 4.320 0.000 0.000 0.246 379 K C -2.261 174.449 176.600 0.184 0.000 0.954 379 K CA -1.873 54.406 56.287 -0.014 0.000 0.824 379 K CB 0.763 33.271 32.500 0.013 0.000 1.167 379 K HN 0.467 nan 8.250 nan 0.000 0.431 380 P HA -0.191 nan 4.420 nan 0.000 0.225 380 P C 0.196 177.613 177.300 0.194 0.000 1.141 380 P CA 1.518 64.813 63.100 0.325 0.000 0.774 380 P CB 0.282 32.125 31.700 0.238 0.000 0.760 381 D N -3.064 117.415 120.400 0.132 0.000 2.369 381 D HA 0.041 4.681 4.640 0.000 0.000 0.211 381 D C 0.512 176.849 176.300 0.062 0.000 1.077 381 D CA 0.110 54.160 54.000 0.083 0.000 0.842 381 D CB -0.264 40.571 40.800 0.058 0.000 0.947 381 D HN 0.149 nan 8.370 nan 0.000 0.509 382 M N 0.685 120.324 119.600 0.066 0.000 2.291 382 M HA 0.157 4.637 4.480 0.000 0.000 0.324 382 M C 0.690 176.995 176.300 0.009 0.000 1.148 382 M CA -0.586 54.725 55.300 0.018 0.000 1.104 382 M CB 1.241 33.827 32.600 -0.022 0.000 1.483 382 M HN -0.364 nan 8.290 nan 0.000 0.467 383 D N 0.480 120.835 120.400 -0.075 0.000 2.144 383 D HA -0.143 4.497 4.640 0.000 0.000 0.199 383 D C 1.786 177.944 176.300 -0.237 0.000 0.984 383 D CA 0.972 54.891 54.000 -0.135 0.000 0.834 383 D CB -0.155 40.537 40.800 -0.180 0.000 0.955 383 D HN 0.399 nan 8.370 nan 0.000 0.465 384 V N 0.644 120.340 119.914 -0.363 0.000 2.594 384 V HA -0.208 3.912 4.120 0.000 0.000 0.253 384 V C 2.013 178.194 176.094 0.146 0.000 1.069 384 V CA 1.976 64.166 62.300 -0.184 0.000 1.082 384 V CB -0.461 31.339 31.823 -0.038 0.000 0.680 384 V HN 0.211 nan 8.190 nan 0.000 0.469 385 A N -0.552 122.408 122.820 0.234 0.000 2.067 385 A HA -0.043 4.277 4.320 0.000 0.000 0.219 385 A C 2.250 179.943 177.584 0.183 0.000 1.158 385 A CA 2.072 54.275 52.037 0.277 0.000 0.661 385 A CB -0.490 18.727 19.000 0.360 0.000 0.801 385 A HN 0.671 nan 8.150 nan 0.000 0.452 386 K N -0.497 120.001 120.400 0.164 0.000 2.391 386 K HA 0.355 4.675 4.320 0.000 0.000 0.197 386 K C 0.451 177.208 176.600 0.261 0.000 1.087 386 K CA 0.621 57.023 56.287 0.192 0.000 1.012 386 K CB 0.194 32.780 32.500 0.143 0.000 0.925 386 K HN 0.608 nan 8.250 nan 0.000 0.547 387 E N 0.142 120.477 120.200 0.225 0.000 2.317 387 E HA 0.267 4.617 4.350 0.000 0.000 0.270 387 E C -1.366 175.405 176.600 0.285 0.000 0.885 387 E CA -0.668 55.888 56.400 0.260 0.000 0.760 387 E CB 2.158 32.060 29.700 0.338 0.000 1.227 387 E HN 0.412 nan 8.360 nan 0.000 0.434 388 E N 0.695 120.991 120.200 0.160 0.000 2.360 388 E HA 0.049 4.399 4.350 0.000 0.000 0.269 388 E C 0.252 176.976 176.600 0.207 0.000 1.022 388 E CA 0.174 56.682 56.400 0.180 0.000 0.887 388 E CB 1.084 30.888 29.700 0.173 0.000 0.990 388 E HN 0.434 nan 8.360 nan 0.000 0.426 389 T N 2.727 117.389 114.554 0.180 0.000 2.809 389 T HA -0.069 4.281 4.350 0.000 0.000 0.260 389 T C 0.209 174.986 174.700 0.130 0.000 1.039 389 T CA 0.214 62.321 62.100 0.011 0.000 1.141 389 T CB -0.147 68.776 68.868 0.092 0.000 0.869 389 T HN 0.589 nan 8.240 nan 0.000 0.437 390 F N 0.972 120.900 119.950 -0.037 0.000 3.039 390 F HA -0.068 4.459 4.527 0.000 0.000 0.287 390 F C 0.695 176.499 175.800 0.006 0.000 0.956 390 F CA 0.557 58.566 58.000 0.015 0.000 0.971 390 F CB -1.355 37.690 39.000 0.075 0.000 0.943 390 F HN 0.353 nan 8.300 nan 0.000 0.766 391 G N -0.789 108.034 108.800 0.037 0.000 2.649 391 G HA2 0.635 4.595 3.960 0.000 0.000 0.290 391 G HA3 0.635 4.595 3.960 0.000 0.000 0.290 391 G C -3.104 171.798 174.900 0.005 0.000 1.426 391 G CA -0.910 44.191 45.100 0.003 0.000 0.794 391 G HN -0.210 nan 8.290 nan 0.000 0.483 392 P HA 0.268 nan 4.420 nan 0.000 0.218 392 P C -0.676 176.769 177.300 0.242 0.000 1.793 392 P CA -0.180 63.040 63.100 0.200 0.000 0.941 392 P CB 0.161 32.101 31.700 0.400 0.000 1.919 393 L N 0.828 122.103 121.223 0.086 0.000 2.319 393 L HA 0.706 5.046 4.340 0.000 0.000 0.281 393 L C -0.537 176.410 176.870 0.128 0.000 1.005 393 L CA -0.954 53.975 54.840 0.148 0.000 0.828 393 L CB 1.528 43.674 42.059 0.144 0.000 1.227 393 L HN 0.055 nan 8.230 nan 0.000 0.415 394 A N 7.480 130.418 122.820 0.197 0.000 2.444 394 A HA 0.746 5.066 4.320 0.000 0.000 0.332 394 A C -2.594 175.132 177.584 0.236 0.000 1.430 394 A CA -1.262 50.944 52.037 0.282 0.000 0.975 394 A CB -0.276 18.793 19.000 0.115 0.000 1.147 394 A HN 0.520 nan 8.150 nan 0.000 0.524 395 P HA 0.335 nan 4.420 nan 0.000 0.297 395 P C -0.707 176.712 177.300 0.198 0.000 1.342 395 P CA -0.122 63.075 63.100 0.161 0.000 0.801 395 P CB 1.081 32.866 31.700 0.142 0.000 0.920 396 L N 5.017 126.272 121.223 0.053 0.000 2.261 396 L HA 0.394 4.734 4.340 0.000 0.000 0.289 396 L C 0.357 177.287 176.870 0.101 0.000 1.059 396 L CA -0.463 54.440 54.840 0.106 0.000 0.816 396 L CB -0.239 41.776 42.059 -0.074 0.000 1.191 396 L HN 0.247 nan 8.230 nan 0.000 0.431 397 F N 2.484 122.431 119.950 -0.005 0.000 2.378 397 F HA 0.495 5.022 4.527 0.000 0.000 0.325 397 F C 0.736 176.689 175.800 0.256 0.000 1.097 397 F CA -0.530 57.447 58.000 -0.038 0.000 1.079 397 F CB 1.176 39.797 39.000 -0.632 0.000 1.240 397 F HN 0.408 nan 8.300 nan 0.000 0.519 398 R N 2.698 123.450 120.500 0.420 0.000 2.494 398 R HA 0.522 4.862 4.340 0.000 0.000 0.305 398 R C -1.597 174.896 176.300 0.322 0.000 0.959 398 R CA -0.534 55.728 56.100 0.270 0.000 0.864 398 R CB 1.070 31.308 30.300 -0.103 0.000 1.159 398 R HN 0.643 nan 8.270 nan 0.000 0.446 399 F N 1.255 121.266 119.950 0.102 0.000 2.620 399 F HA 0.797 5.324 4.527 0.000 0.000 0.320 399 F C -0.447 175.216 175.800 -0.228 0.000 1.069 399 F CA -0.737 57.248 58.000 -0.026 0.000 0.953 399 F CB 1.998 40.980 39.000 -0.030 0.000 1.322 399 F HN 0.449 nan 8.300 nan 0.000 0.479 400 A N 0.630 123.407 122.820 -0.070 0.000 2.548 400 A HA 0.574 4.894 4.320 0.000 0.000 0.236 400 A C -0.012 177.556 177.584 -0.027 0.000 1.246 400 A CA 0.591 52.503 52.037 -0.208 0.000 0.993 400 A CB -0.545 18.421 19.000 -0.056 0.000 1.209 400 A HN 1.152 nan 8.150 nan 0.000 0.570 401 S N -1.298 114.509 115.700 0.179 0.000 2.579 401 S HA 0.452 4.922 4.470 0.000 0.000 0.272 401 S C 0.348 175.094 174.600 0.243 0.000 1.141 401 S CA 0.238 58.573 58.200 0.225 0.000 0.843 401 S CB 1.516 64.800 63.200 0.140 0.000 1.122 401 S HN 0.256 nan 8.310 nan 0.000 0.468 402 E N 1.016 121.372 120.200 0.260 0.000 2.051 402 E HA -0.183 4.167 4.350 0.000 0.000 0.192 402 E C 1.485 178.109 176.600 0.039 0.000 0.991 402 E CA 1.509 58.034 56.400 0.208 0.000 0.799 402 E CB -0.232 29.645 29.700 0.294 0.000 0.748 402 E HN 0.760 nan 8.360 nan 0.000 0.449 403 E N 0.377 120.605 120.200 0.047 0.000 2.058 403 E HA -0.255 4.095 4.350 0.000 0.000 0.194 403 E C 2.117 178.695 176.600 -0.037 0.000 0.997 403 E CA 1.294 57.697 56.400 0.004 0.000 0.801 403 E CB -0.115 29.598 29.700 0.022 0.000 0.746 403 E HN 0.391 nan 8.360 nan 0.000 0.450 404 E N 0.626 120.815 120.200 -0.019 0.000 2.085 404 E HA -0.223 4.127 4.350 0.000 0.000 0.194 404 E C 2.320 178.832 176.600 -0.146 0.000 0.994 404 E CA 0.862 57.242 56.400 -0.035 0.000 0.801 404 E CB -0.052 29.671 29.700 0.038 0.000 0.743 404 E HN 0.115 nan 8.360 nan 0.000 0.453 405 L N 0.495 121.549 121.223 -0.281 0.000 1.994 405 L HA -0.171 4.169 4.340 0.000 0.000 0.208 405 L C 2.377 178.964 176.870 -0.471 0.000 1.071 405 L CA 1.457 55.933 54.840 -0.606 0.000 0.745 405 L CB -0.622 40.783 42.059 -1.089 0.000 0.892 405 L HN -0.012 nan 8.230 nan 0.000 0.431 406 V N 0.331 120.075 119.914 -0.284 0.000 2.252 406 V HA -0.361 3.759 4.120 0.000 0.000 0.249 406 V C 2.824 178.811 176.094 -0.178 0.000 1.056 406 V CA 2.333 64.518 62.300 -0.193 0.000 1.022 406 V CB -0.784 30.980 31.823 -0.097 0.000 0.641 406 V HN 0.572 nan 8.190 nan 0.000 0.445 407 R N -0.659 119.754 120.500 -0.145 0.000 2.122 407 R HA -0.237 4.103 4.340 0.000 0.000 0.236 407 R C 2.278 178.487 176.300 -0.152 0.000 1.129 407 R CA 2.163 58.195 56.100 -0.113 0.000 0.925 407 R CB -0.499 29.756 30.300 -0.075 0.000 0.850 407 R HN 0.345 nan 8.270 nan 0.000 0.431 408 L N 0.564 121.654 121.223 -0.222 0.000 2.043 408 L HA -0.162 4.178 4.340 0.000 0.000 0.212 408 L C 2.501 179.112 176.870 -0.432 0.000 1.075 408 L CA 2.162 56.824 54.840 -0.297 0.000 0.752 408 L CB -0.975 40.851 42.059 -0.388 0.000 0.891 408 L HN 0.376 nan 8.230 nan 0.000 0.432 409 A N -0.900 121.605 122.820 -0.524 0.000 1.930 409 A HA -0.151 4.169 4.320 0.000 0.000 0.217 409 A C 1.908 179.462 177.584 -0.051 0.000 1.175 409 A CA 1.677 53.467 52.037 -0.412 0.000 0.627 409 A CB -0.436 18.324 19.000 -0.400 0.000 0.815 409 A HN 0.518 nan 8.150 nan 0.000 0.443 410 N N 0.080 118.745 118.700 -0.058 0.000 2.336 410 N HA 0.007 4.747 4.740 0.000 0.000 0.189 410 N C -0.244 175.226 175.510 -0.067 0.000 1.113 410 N CA 0.344 53.374 53.050 -0.032 0.000 0.858 410 N CB -0.028 38.424 38.487 -0.059 0.000 0.970 410 N HN 0.407 nan 8.380 nan 0.000 0.471 411 D N 0.978 121.342 120.400 -0.061 0.000 2.600 411 D HA 0.083 4.723 4.640 0.000 0.000 0.226 411 D C -0.729 175.557 176.300 -0.023 0.000 1.119 411 D CA 0.289 54.261 54.000 -0.046 0.000 1.051 411 D CB -0.227 40.553 40.800 -0.033 0.000 1.106 411 D HN -0.088 nan 8.370 nan 0.000 0.491 412 T N -0.396 114.125 114.554 -0.055 0.000 2.977 412 T HA 0.424 4.774 4.350 0.000 0.000 0.345 412 T C 0.869 175.449 174.700 -0.200 0.000 1.562 412 T CA 0.129 62.193 62.100 -0.059 0.000 1.090 412 T CB 0.897 69.817 68.868 0.087 0.000 1.383 412 T HN 0.043 nan 8.240 nan 0.000 0.484 413 E N 2.578 122.539 120.200 -0.399 0.000 2.204 413 E HA 0.173 4.523 4.350 0.000 0.000 0.195 413 E C 0.292 176.546 176.600 -0.577 0.000 0.990 413 E CA 1.225 57.281 56.400 -0.574 0.000 0.821 413 E CB -0.466 28.746 29.700 -0.815 0.000 0.750 413 E HN 0.538 nan 8.360 nan 0.000 0.477 414 F N -1.140 118.764 119.950 -0.078 0.000 2.362 414 F HA 0.615 5.142 4.527 0.000 0.000 0.311 414 F C 1.408 177.054 175.800 -0.258 0.000 1.161 414 F CA -0.372 57.569 58.000 -0.098 0.000 1.085 414 F CB 1.819 40.814 39.000 -0.010 0.000 1.311 414 F HN 0.027 nan 8.300 nan 0.000 0.524 415 G N 0.613 109.370 108.800 -0.072 0.000 4.695 415 G HA2 0.273 4.233 3.960 0.000 0.000 0.229 415 G HA3 0.273 4.233 3.960 0.000 0.000 0.229 415 G C -0.500 174.304 174.900 -0.160 0.000 2.630 415 G CA -0.266 44.534 45.100 -0.498 0.000 0.626 415 G HN 0.532 nan 8.290 nan 0.000 0.234 416 L N 0.966 122.236 121.223 0.077 0.000 2.129 416 L HA 0.876 5.216 4.340 0.000 0.000 0.200 416 L C 1.332 178.215 176.870 0.021 0.000 1.159 416 L CA 1.701 56.551 54.840 0.016 0.000 0.795 416 L CB -0.239 41.813 42.059 -0.012 0.000 0.951 416 L HN 0.443 nan 8.230 nan 0.000 0.463 417 A N -1.168 121.642 122.820 -0.016 0.000 2.356 417 A HA 0.868 5.188 4.320 0.000 0.000 0.323 417 A C -1.157 176.135 177.584 -0.487 0.000 1.119 417 A CA 0.014 51.886 52.037 -0.275 0.000 0.790 417 A CB 1.204 19.976 19.000 -0.379 0.000 1.273 417 A HN 0.570 nan 8.150 nan 0.000 0.452 418 A N 0.302 122.662 122.820 -0.768 0.000 2.549 418 A HA 0.743 5.063 4.320 0.000 0.000 0.297 418 A C -1.719 175.349 177.584 -0.860 0.000 1.061 418 A CA -0.423 51.108 52.037 -0.843 0.000 0.690 418 A CB 0.868 19.284 19.000 -0.973 0.000 1.287 418 A HN 0.833 nan 8.150 nan 0.000 0.402 419 Y N 0.317 120.467 120.300 -0.250 0.000 2.468 419 Y HA 0.716 5.266 4.550 0.000 0.000 0.342 419 Y C -0.364 175.333 175.900 -0.340 0.000 1.021 419 Y CA -0.974 56.964 58.100 -0.270 0.000 1.079 419 Y CB 2.228 40.557 38.460 -0.218 0.000 1.226 419 Y HN 0.593 nan 8.280 nan 0.000 0.460 420 L N 3.443 124.573 121.223 -0.155 0.000 2.491 420 L HA 0.503 4.843 4.340 0.000 0.000 0.267 420 L C -2.212 174.591 176.870 -0.111 0.000 0.971 420 L CA -0.749 54.034 54.840 -0.095 0.000 0.857 420 L CB 0.639 42.635 42.059 -0.105 0.000 1.226 420 L HN 0.576 nan 8.230 nan 0.000 0.408 421 Y N 3.660 123.927 120.300 -0.055 0.000 2.342 421 Y HA 0.754 5.304 4.550 0.000 0.000 0.338 421 Y C 0.497 176.490 175.900 0.155 0.000 0.965 421 Y CA 0.116 58.231 58.100 0.025 0.000 1.159 421 Y CB 1.966 40.437 38.460 0.019 0.000 1.157 421 Y HN 0.707 nan 8.280 nan 0.000 0.486 422 S N 2.178 117.968 115.700 0.151 0.000 2.615 422 S HA 0.507 4.977 4.470 0.000 0.000 0.268 422 S C -0.342 174.273 174.600 0.025 0.000 1.146 422 S CA -0.718 57.535 58.200 0.088 0.000 0.818 422 S CB 1.645 64.768 63.200 -0.129 0.000 1.111 422 S HN 0.662 nan 8.310 nan 0.000 0.465 423 R N 0.814 121.324 120.500 0.018 0.000 2.394 423 R HA 0.375 4.715 4.340 0.000 0.000 0.220 423 R C -0.661 175.640 176.300 0.002 0.000 0.887 423 R CA 0.183 56.296 56.100 0.021 0.000 1.034 423 R CB 0.208 30.538 30.300 0.049 0.000 1.179 423 R HN 0.641 nan 8.270 nan 0.000 0.561 424 D N 0.310 120.696 120.400 -0.024 0.000 2.339 424 D HA 0.035 4.675 4.640 0.000 0.000 0.241 424 D C 1.375 177.668 176.300 -0.011 0.000 1.183 424 D CA -0.021 53.965 54.000 -0.023 0.000 0.859 424 D CB 0.540 41.313 40.800 -0.045 0.000 1.067 424 D HN 0.132 nan 8.370 nan 0.000 0.484 425 I N 3.544 124.131 120.570 0.028 0.000 2.145 425 I HA -0.241 3.929 4.170 0.000 0.000 0.244 425 I C 1.819 178.021 176.117 0.141 0.000 1.075 425 I CA 1.940 63.298 61.300 0.096 0.000 1.332 425 I CB -0.087 37.967 38.000 0.091 0.000 1.033 425 I HN 0.612 nan 8.210 nan 0.000 0.410 426 G N 0.212 109.046 108.800 0.057 0.000 2.402 426 G HA2 -0.284 3.676 3.960 0.000 0.000 0.216 426 G HA3 -0.284 3.676 3.960 0.000 0.000 0.216 426 G C 1.792 176.718 174.900 0.043 0.000 1.162 426 G CA 0.748 45.874 45.100 0.045 0.000 0.777 426 G HN 0.395 nan 8.290 nan 0.000 0.539 427 R N -0.052 120.429 120.500 -0.033 0.000 2.096 427 R HA -0.027 4.313 4.340 0.000 0.000 0.235 427 R C 2.585 178.806 176.300 -0.131 0.000 1.127 427 R CA 1.335 57.358 56.100 -0.128 0.000 0.968 427 R CB -0.390 29.750 30.300 -0.267 0.000 0.861 427 R HN 0.259 nan 8.270 nan 0.000 0.440 428 V N -0.079 119.785 119.914 -0.084 0.000 2.261 428 V HA -0.265 3.855 4.120 0.000 0.000 0.246 428 V C 1.857 177.912 176.094 -0.065 0.000 1.047 428 V CA 2.045 64.283 62.300 -0.103 0.000 1.015 428 V CB -0.550 31.212 31.823 -0.101 0.000 0.642 428 V HN 0.458 nan 8.190 nan 0.000 0.446 429 W N 0.092 121.337 121.300 -0.091 0.000 2.355 429 W HA -0.123 4.537 4.660 0.000 0.000 0.309 429 W C 2.789 179.269 176.519 -0.066 0.000 1.206 429 W CA 1.815 59.118 57.345 -0.069 0.000 1.284 429 W CB -0.435 28.992 29.460 -0.055 0.000 1.145 429 W HN 0.033 nan 8.180 nan 0.000 0.502 430 R N -0.225 120.380 120.500 0.175 0.000 2.115 430 R HA -0.234 4.106 4.340 0.000 0.000 0.239 430 R C 1.845 178.163 176.300 0.029 0.000 1.133 430 R CA 2.472 58.619 56.100 0.079 0.000 0.935 430 R CB -1.266 29.052 30.300 0.031 0.000 0.853 430 R HN 0.117 nan 8.270 nan 0.000 0.433 431 V N 0.648 120.555 119.914 -0.013 0.000 2.358 431 V HA -0.214 3.906 4.120 0.000 0.000 0.246 431 V C 2.459 178.524 176.094 -0.049 0.000 1.047 431 V CA 1.763 64.048 62.300 -0.025 0.000 1.035 431 V CB -0.777 31.035 31.823 -0.019 0.000 0.658 431 V HN 0.461 nan 8.190 nan 0.000 0.452 432 A N -0.058 122.711 122.820 -0.086 0.000 1.917 432 A HA -0.297 4.023 4.320 0.000 0.000 0.219 432 A C 2.169 179.699 177.584 -0.089 0.000 1.182 432 A CA 2.225 54.180 52.037 -0.137 0.000 0.633 432 A CB -0.492 18.353 19.000 -0.257 0.000 0.819 432 A HN 0.653 nan 8.150 nan 0.000 0.448 433 E N -0.699 119.480 120.200 -0.035 0.000 2.208 433 E HA 0.037 4.387 4.350 0.000 0.000 0.193 433 E C 2.024 178.621 176.600 -0.006 0.000 0.988 433 E CA 0.670 57.069 56.400 -0.001 0.000 0.828 433 E CB -0.182 29.556 29.700 0.063 0.000 0.763 433 E HN 0.625 nan 8.360 nan 0.000 0.478 434 A N 0.876 123.691 122.820 -0.008 0.000 2.169 434 A HA 0.064 4.384 4.320 0.000 0.000 0.212 434 A C 1.024 178.603 177.584 -0.008 0.000 1.153 434 A CA 0.041 52.070 52.037 -0.012 0.000 0.756 434 A CB -0.088 18.903 19.000 -0.014 0.000 0.813 434 A HN 0.073 nan 8.150 nan 0.000 0.471 435 L N 1.584 122.809 121.223 0.004 0.000 2.325 435 L HA 0.114 4.454 4.340 0.000 0.000 0.284 435 L C -0.088 176.861 176.870 0.131 0.000 1.089 435 L CA -0.199 54.694 54.840 0.087 0.000 0.836 435 L CB 0.685 42.760 42.059 0.027 0.000 1.184 435 L HN 0.321 nan 8.230 nan 0.000 0.444 436 E N 4.728 124.972 120.200 0.072 0.000 1.999 436 E HA 0.129 4.479 4.350 0.000 0.000 0.296 436 E C -1.355 174.965 176.600 -0.466 0.000 1.187 436 E CA 0.111 56.409 56.400 -0.170 0.000 1.229 436 E CB -0.042 29.514 29.700 -0.240 0.000 1.131 436 E HN 0.361 nan 8.360 nan 0.000 0.478 437 Y N -1.476 118.750 120.300 -0.125 0.000 2.534 437 Y HA 0.298 4.848 4.550 0.000 0.000 0.345 437 Y C 1.265 177.066 175.900 -0.166 0.000 1.031 437 Y CA -1.022 56.990 58.100 -0.147 0.000 1.022 437 Y CB 1.803 40.156 38.460 -0.178 0.000 1.292 437 Y HN 0.234 nan 8.280 nan 0.000 0.459 438 G N 1.301 110.066 108.800 -0.058 0.000 2.484 438 G HA2 0.076 4.036 3.960 0.000 0.000 0.218 438 G HA3 0.076 4.036 3.960 0.000 0.000 0.218 438 G C 0.044 174.846 174.900 -0.164 0.000 1.130 438 G CA 0.531 45.554 45.100 -0.128 0.000 0.784 438 G HN 0.434 nan 8.290 nan 0.000 0.543 439 M N -0.165 119.328 119.600 -0.177 0.000 2.378 439 M HA 0.472 4.952 4.480 0.000 0.000 0.289 439 M C -1.772 174.366 176.300 -0.271 0.000 1.136 439 M CA -0.475 54.680 55.300 -0.242 0.000 0.917 439 M CB 3.643 36.032 32.600 -0.353 0.000 1.669 439 M HN -0.256 nan 8.290 nan 0.000 0.461 440 V N 1.594 121.350 119.914 -0.264 0.000 2.488 440 V HA 0.604 4.724 4.120 0.000 0.000 0.293 440 V C 0.121 176.058 176.094 -0.262 0.000 1.027 440 V CA -0.845 61.273 62.300 -0.304 0.000 0.862 440 V CB 1.836 33.510 31.823 -0.249 0.000 1.008 440 V HN 1.001 nan 8.190 nan 0.000 0.428 441 G N 4.809 113.443 108.800 -0.277 0.000 2.349 441 G HA2 0.594 4.554 3.960 0.000 0.000 0.281 441 G HA3 0.594 4.554 3.960 0.000 0.000 0.281 441 G C -0.538 174.272 174.900 -0.151 0.000 1.182 441 G CA -0.217 44.837 45.100 -0.076 0.000 0.899 441 G HN 0.654 nan 8.290 nan 0.000 0.455 442 I N 2.889 123.338 120.570 -0.201 0.000 2.371 442 I HA 0.151 4.321 4.170 0.000 0.000 0.282 442 I C -0.004 175.887 176.117 -0.375 0.000 1.031 442 I CA -0.626 60.506 61.300 -0.280 0.000 1.180 442 I CB 0.980 38.829 38.000 -0.252 0.000 1.336 442 I HN 0.509 nan 8.210 nan 0.000 0.467 443 N N 2.347 120.612 118.700 -0.726 0.000 2.747 443 N HA -0.176 4.564 4.740 0.000 0.000 0.249 443 N C -0.185 174.896 175.510 -0.715 0.000 1.107 443 N CA 1.278 53.655 53.050 -1.121 0.000 0.707 443 N CB -0.870 37.349 38.487 -0.446 0.000 1.054 443 N HN 0.703 nan 8.380 nan 0.000 0.555 444 T N -3.014 111.257 114.554 -0.471 0.000 2.853 444 T HA 0.608 4.958 4.350 0.000 0.000 0.311 444 T C 0.740 175.579 174.700 0.232 0.000 1.307 444 T CA 0.148 62.270 62.100 0.037 0.000 1.019 444 T CB 1.539 70.427 68.868 0.033 0.000 1.264 444 T HN 0.062 nan 8.240 nan 0.000 0.497 445 G N 1.627 110.579 108.800 0.254 0.000 3.192 445 G HA2 0.403 4.363 3.960 0.000 0.000 0.239 445 G HA3 0.403 4.363 3.960 0.000 0.000 0.239 445 G C -0.114 174.807 174.900 0.035 0.000 1.084 445 G CA -0.116 45.007 45.100 0.037 0.000 0.784 445 G HN 0.580 nan 8.290 nan 0.000 0.540 446 L N 1.464 122.768 121.223 0.136 0.000 2.349 446 L HA 0.529 4.869 4.340 0.000 0.000 0.278 446 L C 0.547 177.501 176.870 0.140 0.000 0.996 446 L CA -0.737 54.179 54.840 0.127 0.000 0.825 446 L CB 1.957 44.055 42.059 0.065 0.000 1.243 446 L HN 0.231 nan 8.230 nan 0.000 0.412 447 I N -2.228 118.440 120.570 0.165 0.000 4.442 447 I HA 0.262 4.432 4.170 0.000 0.000 0.331 447 I C 0.075 176.282 176.117 0.151 0.000 1.364 447 I CA -0.071 61.307 61.300 0.130 0.000 1.207 447 I CB 1.126 39.191 38.000 0.108 0.000 1.298 447 I HN 0.323 nan 8.210 nan 0.000 0.463 448 S N 3.605 119.387 115.700 0.136 0.000 2.481 448 S HA 0.451 4.921 4.470 0.000 0.000 0.276 448 S C -0.333 174.304 174.600 0.061 0.000 1.247 448 S CA -0.276 58.000 58.200 0.127 0.000 1.053 448 S CB 0.220 63.343 63.200 -0.128 0.000 0.925 448 S HN 0.798 nan 8.310 nan 0.000 0.491 449 N N 0.476 119.252 118.700 0.128 0.000 2.961 449 N HA 0.200 4.940 4.740 0.000 0.000 0.245 449 N C 0.164 175.534 175.510 -0.234 0.000 1.404 449 N CA -0.924 52.118 53.050 -0.014 0.000 0.880 449 N CB 0.637 39.068 38.487 -0.093 0.000 1.461 449 N HN 0.292 nan 8.380 nan 0.000 0.510 450 E N 0.057 119.874 120.200 -0.638 0.000 2.427 450 E HA -0.077 4.273 4.350 0.000 0.000 0.196 450 E C 0.900 176.807 176.600 -1.155 0.000 1.028 450 E CA 0.972 56.757 56.400 -1.025 0.000 0.864 450 E CB -0.062 28.858 29.700 -1.300 0.000 0.813 450 E HN 0.448 nan 8.360 nan 0.000 0.514 451 V N -0.003 119.364 119.914 -0.913 0.000 3.307 451 V HA 0.391 4.511 4.120 0.000 0.000 0.253 451 V C 0.990 176.851 176.094 -0.389 0.000 1.149 451 V CA 0.526 62.230 62.300 -0.993 0.000 1.112 451 V CB 0.018 31.401 31.823 -0.733 0.000 0.777 451 V HN 0.296 nan 8.190 nan 0.000 0.464 452 A N 2.614 125.313 122.820 -0.203 0.000 2.316 452 A HA 0.717 5.037 4.320 0.000 0.000 0.284 452 A C -2.540 175.087 177.584 0.071 0.000 1.115 452 A CA -1.588 50.437 52.037 -0.021 0.000 0.812 452 A CB 0.132 19.144 19.000 0.020 0.000 1.064 452 A HN 0.418 nan 8.150 nan 0.000 0.489 453 P HA 0.238 nan 4.420 nan 0.000 0.276 453 P C -1.204 176.176 177.300 0.133 0.000 1.243 453 P CA 0.302 63.482 63.100 0.133 0.000 0.768 453 P CB 0.345 32.069 31.700 0.040 0.000 0.856 454 F N 3.522 123.485 119.950 0.021 0.000 2.402 454 F HA 0.668 5.195 4.527 0.000 0.000 0.355 454 F C 0.438 176.231 175.800 -0.012 0.000 1.123 454 F CA 0.548 58.553 58.000 0.008 0.000 1.021 454 F CB 1.548 40.575 39.000 0.045 0.000 1.160 454 F HN 0.597 nan 8.300 nan 0.000 0.451 455 G N 2.579 111.254 108.800 -0.209 0.000 2.322 455 G HA2 0.445 4.405 3.960 0.000 0.000 0.295 455 G HA3 0.445 4.405 3.960 0.000 0.000 0.295 455 G C -1.452 173.349 174.900 -0.165 0.000 1.369 455 G CA -0.246 44.787 45.100 -0.112 0.000 0.821 455 G HN 0.906 nan 8.290 nan 0.000 0.536 456 G N -1.647 107.095 108.800 -0.096 0.000 2.552 456 G HA2 0.895 4.855 3.960 0.000 0.000 0.324 456 G HA3 0.895 4.855 3.960 0.000 0.000 0.324 456 G C 0.024 174.871 174.900 -0.090 0.000 1.217 456 G CA 0.129 45.175 45.100 -0.090 0.000 0.989 456 G HN 1.833 nan 8.290 nan 0.000 0.490 457 V N -2.437 117.410 119.914 -0.111 0.000 3.166 457 V HA 0.825 4.945 4.120 0.000 0.000 0.317 457 V C 0.768 176.794 176.094 -0.114 0.000 1.136 457 V CA -0.415 61.814 62.300 -0.118 0.000 1.035 457 V CB 1.103 32.837 31.823 -0.148 0.000 1.110 457 V HN 1.054 nan 8.190 nan 0.000 0.450 458 K N -0.667 119.666 120.400 -0.111 0.000 1.699 458 K HA -0.255 4.065 4.320 0.000 0.000 0.127 458 K C 1.197 177.753 176.600 -0.074 0.000 1.157 458 K CA 2.092 58.312 56.287 -0.112 0.000 0.341 458 K CB -1.274 31.127 32.500 -0.165 0.000 0.645 458 K HN 0.844 nan 8.250 nan 0.000 0.848 459 Q N 0.515 120.268 119.800 -0.078 0.000 2.444 459 Q HA 0.112 4.452 4.340 0.000 0.000 0.206 459 Q C 1.126 177.207 176.000 0.135 0.000 0.948 459 Q CA 0.710 56.508 55.803 -0.010 0.000 0.946 459 Q CB 0.689 29.342 28.738 -0.142 0.000 1.027 459 Q HN 0.340 nan 8.270 nan 0.000 0.513 460 S N -0.311 115.448 115.700 0.097 0.000 2.548 460 S HA 0.289 4.759 4.470 0.000 0.000 0.215 460 S C 0.841 175.474 174.600 0.054 0.000 0.976 460 S CA 0.500 58.763 58.200 0.105 0.000 0.908 460 S CB 0.503 63.737 63.200 0.057 0.000 0.781 460 S HN 0.644 nan 8.310 nan 0.000 0.519 461 G N 0.645 109.465 108.800 0.034 0.000 2.295 461 G HA2 0.011 3.971 3.960 0.000 0.000 0.195 461 G HA3 0.011 3.971 3.960 0.000 0.000 0.195 461 G C -1.878 173.024 174.900 0.003 0.000 1.269 461 G CA -0.967 44.153 45.100 0.033 0.000 1.170 461 G HN 0.247 nan 8.290 nan 0.000 0.511 462 L N 0.648 121.876 121.223 0.008 0.000 2.464 462 L HA 0.674 5.014 4.340 0.000 0.000 0.266 462 L C 0.724 177.589 176.870 -0.008 0.000 0.965 462 L CA 0.062 54.897 54.840 -0.007 0.000 0.833 462 L CB 1.713 43.769 42.059 -0.005 0.000 1.296 462 L HN 2.587 nan 8.230 nan 0.000 0.405 463 G N 2.137 110.925 108.800 -0.019 0.000 2.796 463 G HA2 -0.101 3.859 3.960 0.000 0.000 0.571 463 G HA3 -0.101 3.859 3.960 0.000 0.000 0.571 463 G C -1.256 173.647 174.900 0.004 0.000 1.370 463 G CA -0.862 44.232 45.100 -0.009 0.000 0.856 463 G HN 0.508 nan 8.290 nan 0.000 0.538 464 R N 0.126 120.652 120.500 0.042 0.000 2.795 464 R HA 0.648 4.988 4.340 0.000 0.000 0.275 464 R C -0.404 175.998 176.300 0.170 0.000 0.981 464 R CA -0.741 55.409 56.100 0.083 0.000 0.917 464 R CB 1.909 32.230 30.300 0.034 0.000 1.202 464 R HN 0.740 nan 8.270 nan 0.000 0.469 465 E N -0.306 120.025 120.200 0.218 0.000 2.256 465 E HA 0.571 4.921 4.350 0.000 0.000 0.267 465 E C -0.304 176.488 176.600 0.320 0.000 0.892 465 E CA -0.512 56.032 56.400 0.241 0.000 0.775 465 E CB 2.196 31.951 29.700 0.092 0.000 1.207 465 E HN 0.770 nan 8.360 nan 0.000 0.420 466 G N 1.830 110.917 108.800 0.479 0.000 2.855 466 G HA2 -0.092 3.868 3.960 0.000 0.000 0.352 466 G HA3 -0.092 3.868 3.960 0.000 0.000 0.352 466 G C -0.089 174.952 174.900 0.235 0.000 1.415 466 G CA -0.197 45.123 45.100 0.367 0.000 0.871 466 G HN 1.622 nan 8.290 nan 0.000 0.543 467 S N -3.071 112.574 115.700 -0.091 0.000 3.849 467 S HA -0.169 4.301 4.470 0.000 0.000 0.654 467 S C 0.968 175.827 174.600 0.433 0.000 1.808 467 S CA 1.693 59.970 58.200 0.129 0.000 1.951 467 S CB -1.129 62.128 63.200 0.094 0.000 0.330 467 S HN 2.826 nan 8.310 nan 0.000 1.627 468 H N -0.195 119.062 119.070 0.311 0.000 2.456 468 H HA 0.069 4.625 4.556 0.000 0.000 0.296 468 H C 1.580 176.976 175.328 0.113 0.000 1.079 468 H CA 1.801 57.931 56.048 0.136 0.000 1.322 468 H CB -0.699 29.025 29.762 -0.062 0.000 1.388 468 H HN 0.611 nan 8.280 nan 0.000 0.538 469 Y N 1.215 121.427 120.300 -0.146 0.000 2.352 469 Y HA 0.012 4.562 4.550 0.000 0.000 0.292 469 Y C 2.830 178.844 175.900 0.190 0.000 1.136 469 Y CA 1.027 59.129 58.100 0.003 0.000 1.227 469 Y CB -0.501 37.900 38.460 -0.098 0.000 0.991 469 Y HN 0.493 nan 8.280 nan 0.000 0.545 470 G N -0.552 108.532 108.800 0.474 0.000 2.509 470 G HA2 -0.194 3.766 3.960 0.000 0.000 0.218 470 G HA3 -0.194 3.766 3.960 0.000 0.000 0.218 470 G C 1.566 176.768 174.900 0.503 0.000 1.124 470 G CA 0.704 46.135 45.100 0.551 0.000 0.776 470 G HN 0.502 nan 8.290 nan 0.000 0.547 471 I N -0.304 120.579 120.570 0.523 0.000 3.462 471 I HA 0.083 4.253 4.170 0.000 0.000 0.290 471 I C 1.676 177.989 176.117 0.326 0.000 1.236 471 I CA 0.271 61.809 61.300 0.397 0.000 1.418 471 I CB 0.205 38.441 38.000 0.392 0.000 1.102 471 I HN -0.079 nan 8.210 nan 0.000 0.441 472 D N 1.472 122.037 120.400 0.276 0.000 2.126 472 D HA -0.255 4.385 4.640 0.000 0.000 0.190 472 D C 1.417 177.798 176.300 0.135 0.000 1.001 472 D CA 1.690 55.809 54.000 0.198 0.000 0.841 472 D CB -0.395 40.526 40.800 0.202 0.000 0.949 472 D HN 0.412 nan 8.370 nan 0.000 0.446 473 D N -0.842 119.606 120.400 0.081 0.000 2.378 473 D HA -0.115 4.525 4.640 0.000 0.000 0.222 473 D C 1.105 177.222 176.300 -0.305 0.000 0.980 473 D CA 0.460 54.388 54.000 -0.120 0.000 0.907 473 D CB -0.042 40.635 40.800 -0.205 0.000 0.899 473 D HN 0.430 nan 8.370 nan 0.000 0.527 474 Y N 0.246 120.563 120.300 0.029 0.000 2.449 474 Y HA 0.078 4.628 4.550 0.000 0.000 0.254 474 Y C 1.081 177.007 175.900 0.044 0.000 1.140 474 Y CA -0.395 57.713 58.100 0.013 0.000 1.272 474 Y CB 0.572 39.026 38.460 -0.011 0.000 1.114 474 Y HN -0.202 nan 8.280 nan 0.000 0.525 475 V N -2.313 117.703 119.914 0.170 0.000 2.975 475 V HA 0.729 4.849 4.120 0.000 0.000 0.318 475 V C -0.525 175.630 176.094 0.101 0.000 1.077 475 V CA -1.231 61.155 62.300 0.144 0.000 1.000 475 V CB 2.041 33.949 31.823 0.143 0.000 1.066 475 V HN -0.263 nan 8.190 nan 0.000 0.452 476 V N 3.220 123.198 119.914 0.106 0.000 2.680 476 V HA 0.629 4.749 4.120 0.000 0.000 0.309 476 V C -0.414 175.734 176.094 0.090 0.000 1.052 476 V CA -0.607 61.746 62.300 0.088 0.000 0.908 476 V CB 1.834 33.712 31.823 0.091 0.000 1.001 476 V HN 1.099 nan 8.190 nan 0.000 0.431 477 I N 4.282 124.901 120.570 0.081 0.000 2.365 477 I HA 0.565 4.735 4.170 0.000 0.000 0.291 477 I C -0.442 175.730 176.117 0.093 0.000 1.004 477 I CA 0.176 61.526 61.300 0.084 0.000 1.311 477 I CB 0.988 39.035 38.000 0.078 0.000 1.401 477 I HN 0.643 nan 8.210 nan 0.000 0.491 478 K N 6.338 126.796 120.400 0.097 0.000 2.394 478 K HA 0.290 4.610 4.320 0.000 0.000 0.260 478 K C -1.833 174.852 176.600 0.142 0.000 0.967 478 K CA -0.778 55.569 56.287 0.100 0.000 0.855 478 K CB 0.898 33.437 32.500 0.065 0.000 1.101 478 K HN 0.719 nan 8.250 nan 0.000 0.433 479 Y N 5.770 126.083 120.300 0.022 0.000 2.326 479 Y HA 0.375 4.925 4.550 0.000 0.000 0.337 479 Y C -1.525 174.383 175.900 0.014 0.000 1.023 479 Y CA -0.915 57.196 58.100 0.018 0.000 1.143 479 Y CB 0.689 39.159 38.460 0.017 0.000 1.183 479 Y HN 0.476 nan 8.280 nan 0.000 0.485 480 L N 7.816 128.920 121.223 -0.198 0.000 2.294 480 L HA 0.346 4.686 4.340 0.000 0.000 0.283 480 L C -0.748 175.899 176.870 -0.372 0.000 1.015 480 L CA -0.716 53.943 54.840 -0.302 0.000 0.831 480 L CB 1.261 43.263 42.059 -0.096 0.000 1.217 480 L HN 0.753 nan 8.230 nan 0.000 0.420 481 C N 5.305 124.273 119.300 -0.553 0.000 2.200 481 C HA 0.504 4.964 4.460 0.000 0.000 0.328 481 C C 0.359 175.272 174.990 -0.128 0.000 1.148 481 C CA -0.420 58.426 59.018 -0.287 0.000 1.624 481 C CB -0.215 27.343 27.740 -0.304 0.000 2.167 481 C HN 0.539 nan 8.230 nan 0.000 0.484 482 V N 7.074 126.957 119.914 -0.052 0.000 2.350 482 V HA 0.497 4.617 4.120 0.000 0.000 0.276 482 V C 0.853 176.939 176.094 -0.013 0.000 1.028 482 V CA -0.333 61.947 62.300 -0.033 0.000 0.860 482 V CB 0.937 32.748 31.823 -0.019 0.000 0.990 482 V HN 1.018 nan 8.190 nan 0.000 0.453 483 A N 5.123 127.933 122.820 -0.017 0.000 2.450 483 A HA 0.566 4.886 4.320 0.000 0.000 0.255 483 A C 0.054 177.635 177.584 -0.004 0.000 1.096 483 A CA 0.043 52.076 52.037 -0.007 0.000 0.778 483 A CB 0.799 19.793 19.000 -0.009 0.000 1.031 483 A HN 0.697 nan 8.150 nan 0.000 0.494 484 V N 0.000 119.914 119.914 0.001 0.000 2.409 484 V HA 0.000 4.120 4.120 0.000 0.000 0.244 484 V CA 0.000 62.301 62.300 0.001 0.000 1.235 484 V CB 0.000 31.826 31.823 0.004 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556