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 3hpx_1_A DATA FIRST_RESID 19 DATA SEQUENCE IVKPAGPPRV GQPSWNPQRA SSMPVNRYRP FAEEVEPIRL RNRTWPDRVI DATA SEQUENCE DRAPLWCAVD LRDGNQALID PMSPARKRRM FDLLVRMGYK EIEVGFPSAS DATA SEQUENCE QTDFDFVREI IEQGAIPDDV TIQVLTQCRP ELIERTFQAC SGAPRAIVHF DATA SEQUENCE YNSTSILQRR VVFRANRAEV QAIATDGARK CVEQAAKYPG TQWRFEYSPE DATA SEQUENCE SYTGTELEYA KQVCDAVGEV IAPTPERPII FNLPATVEMT TPNVYADSIE DATA SEQUENCE WMSRNLANRE SVILSLHPHN DRGTAVAAAE LGFAAGADRI EGCLFGNGER DATA SEQUENCE TGNVCLVTLG LNLFSRGVDP QIDFSNIDEI RRTVEYCNQL PVHERHPYGG DATA SEQUENCE DLVYTAFSGS HQDAINKGLD AMKLDADAAD CDVDDMLWQV PYLPIDPRDV DATA SEQUENCE GRTYEAV 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 19 I HA 0.000 nan 4.170 nan 0.000 0.288 19 I C 0.000 176.118 176.117 0.002 0.000 1.063 19 I CA 0.000 61.301 61.300 0.002 0.000 1.566 19 I CB 0.000 38.000 38.000 0.001 0.000 1.214 20 V N 3.466 123.382 119.914 0.003 0.000 2.398 20 V HA 0.807 4.929 4.120 0.003 0.000 0.286 20 V C 0.374 176.469 176.094 0.003 0.000 1.026 20 V CA -1.217 61.085 62.300 0.003 0.000 0.868 20 V CB 1.519 33.345 31.823 0.004 0.000 0.982 20 V HN 1.121 nan 8.190 nan 0.000 0.443 21 K N 6.326 126.728 120.400 0.003 0.000 2.472 21 K HA 0.284 4.606 4.320 0.003 0.000 0.280 21 K C -2.149 174.453 176.600 0.003 0.000 1.028 21 K CA -1.041 55.248 56.287 0.003 0.000 1.045 21 K CB 0.277 32.778 32.500 0.003 0.000 0.902 21 K HN 0.649 nan 8.250 nan 0.000 0.478 22 P HA -0.096 nan 4.420 nan 0.000 0.261 22 P C -0.881 176.419 177.300 0.001 0.000 1.173 22 P CA 0.329 63.430 63.100 0.002 0.000 0.760 22 P CB 0.979 32.681 31.700 0.002 0.000 0.783 23 A N 3.112 125.933 122.820 0.001 0.000 2.551 23 A HA 0.444 4.765 4.320 0.003 0.000 0.252 23 A C 1.071 178.653 177.584 -0.002 0.000 1.199 23 A CA 0.338 52.375 52.037 -0.001 0.000 0.972 23 A CB -0.120 18.880 19.000 0.000 0.000 1.153 23 A HN 0.593 nan 8.150 nan 0.000 0.559 24 G N 1.099 109.898 108.800 -0.002 0.000 2.684 24 G HA2 0.443 4.405 3.960 0.003 0.000 0.255 24 G HA3 0.443 4.405 3.960 0.003 0.000 0.255 24 G C -2.398 172.497 174.900 -0.008 0.000 1.219 24 G CA -0.904 44.194 45.100 -0.004 0.000 0.901 24 G HN 0.188 nan 8.290 nan 0.000 0.548 25 P HA 0.269 nan 4.420 nan 0.000 0.274 25 P C -2.517 174.770 177.300 -0.020 0.000 1.246 25 P CA -1.272 61.819 63.100 -0.015 0.000 0.795 25 P CB 0.431 32.122 31.700 -0.015 0.000 1.006 26 P HA 0.222 nan 4.420 nan 0.000 0.274 26 P C -0.060 177.217 177.300 -0.039 0.000 1.260 26 P CA -0.225 62.851 63.100 -0.041 0.000 0.793 26 P CB 0.401 32.066 31.700 -0.059 0.000 1.048 27 R N -0.317 120.156 120.500 -0.046 0.000 2.582 27 R HA 0.462 4.804 4.340 0.003 0.000 0.271 27 R C 0.073 176.346 176.300 -0.045 0.000 1.078 27 R CA -0.832 55.245 56.100 -0.038 0.000 1.127 27 R CB -0.486 29.792 30.300 -0.038 0.000 1.038 27 R HN 0.315 nan 8.270 nan 0.000 0.500 28 V N 1.509 121.403 119.914 -0.034 0.000 2.493 28 V HA 0.294 4.416 4.120 0.003 0.000 0.292 28 V C 1.418 177.487 176.094 -0.042 0.000 1.016 28 V CA 1.117 63.397 62.300 -0.034 0.000 1.097 28 V CB -0.191 31.619 31.823 -0.022 0.000 0.947 28 V HN 0.922 nan 8.190 nan 0.000 0.479 29 G N 2.643 111.411 108.800 -0.052 0.000 2.141 29 G HA2 -0.220 3.742 3.960 0.003 0.000 0.242 29 G HA3 -0.220 3.742 3.960 0.003 0.000 0.242 29 G C 0.353 175.192 174.900 -0.101 0.000 0.982 29 G CA 0.371 45.434 45.100 -0.062 0.000 0.662 29 G HN 1.541 nan 8.290 nan 0.000 0.527 30 Q N 1.044 120.770 119.800 -0.123 0.000 2.289 30 Q HA 0.443 4.785 4.340 0.003 0.000 0.273 30 Q C -1.765 174.061 176.000 -0.289 0.000 1.029 30 Q CA -1.272 54.414 55.803 -0.194 0.000 0.896 30 Q CB 0.564 29.203 28.738 -0.166 0.000 1.182 30 Q HN 0.278 nan 8.270 nan 0.000 0.385 31 P HA 0.020 nan 4.420 nan 0.000 0.267 31 P C -0.072 176.831 177.300 -0.662 0.000 1.200 31 P CA 0.393 63.076 63.100 -0.694 0.000 0.772 31 P CB 0.705 31.587 31.700 -1.362 0.000 0.855 32 S N 2.075 117.515 115.700 -0.432 0.000 2.474 32 S HA -0.102 4.370 4.470 0.003 0.000 0.235 32 S C 1.382 175.906 174.600 -0.126 0.000 0.997 32 S CA 0.710 58.786 58.200 -0.206 0.000 0.949 32 S CB -0.936 62.225 63.200 -0.066 0.000 0.766 32 S HN 0.731 nan 8.310 nan 0.000 0.517 33 W N 0.487 121.790 121.300 0.004 0.000 3.047 33 W HA 0.284 4.946 4.660 0.002 0.000 0.250 33 W C -0.014 176.507 176.519 0.004 0.000 1.314 33 W CA -0.233 57.114 57.345 0.004 0.000 1.540 33 W CB -0.444 29.019 29.460 0.005 0.000 1.127 33 W HN 0.275 nan 8.180 nan 0.000 0.679 34 N N 3.020 121.617 118.700 -0.172 0.000 2.609 34 N HA 0.189 4.931 4.740 0.003 0.000 0.234 34 N C -2.030 173.432 175.510 -0.079 0.000 1.001 34 N CA -2.295 50.704 53.050 -0.085 0.000 0.926 34 N CB 1.256 39.554 38.487 -0.316 0.000 1.130 34 N HN -0.214 nan 8.380 nan 0.000 0.510 35 P HA 0.045 nan 4.420 nan 0.000 0.255 35 P C -0.239 177.055 177.300 -0.010 0.000 1.301 35 P CA 0.223 63.317 63.100 -0.009 0.000 0.817 35 P CB 0.168 31.878 31.700 0.017 0.000 1.259 36 Q N 0.718 120.511 119.800 -0.012 0.000 2.386 36 Q HA 0.121 4.462 4.340 0.003 0.000 0.282 36 Q C 0.305 176.294 176.000 -0.018 0.000 1.050 36 Q CA 0.348 56.147 55.803 -0.007 0.000 0.918 36 Q CB 0.513 29.251 28.738 -0.001 0.000 1.266 36 Q HN 0.061 nan 8.270 nan 0.000 0.423 37 R N 0.391 120.885 120.500 -0.010 0.000 2.854 37 R HA 0.563 4.904 4.340 0.003 0.000 0.271 37 R C -0.888 175.408 176.300 -0.007 0.000 0.996 37 R CA -0.980 55.113 56.100 -0.011 0.000 0.961 37 R CB 1.320 31.616 30.300 -0.007 0.000 1.182 37 R HN 0.719 nan 8.270 nan 0.000 0.479 38 A N 1.412 124.228 122.820 -0.007 0.000 2.488 38 A HA 0.240 4.562 4.320 0.003 0.000 0.249 38 A C 0.681 178.266 177.584 0.002 0.000 1.083 38 A CA 0.003 52.039 52.037 -0.002 0.000 0.768 38 A CB -0.064 18.935 19.000 -0.002 0.000 1.017 38 A HN 0.768 nan 8.150 nan 0.000 0.496 39 S N 1.542 117.245 115.700 0.005 0.000 2.655 39 S HA 0.381 4.853 4.470 0.003 0.000 0.265 39 S C 0.843 175.450 174.600 0.011 0.000 1.240 39 S CA 0.068 58.272 58.200 0.007 0.000 0.986 39 S CB 0.994 64.199 63.200 0.008 0.000 0.985 39 S HN 1.485 nan 8.310 nan 0.000 0.562 40 S N -0.082 115.626 115.700 0.013 0.000 2.582 40 S HA 0.294 4.765 4.470 0.003 0.000 0.234 40 S C 0.504 175.119 174.600 0.025 0.000 0.961 40 S CA -0.641 57.569 58.200 0.017 0.000 0.953 40 S CB -0.676 62.532 63.200 0.013 0.000 0.800 40 S HN 0.659 nan 8.310 nan 0.000 0.471 41 M N 3.435 123.052 119.600 0.028 0.000 2.248 41 M HA 0.173 4.654 4.480 0.003 0.000 0.345 41 M C -2.056 174.282 176.300 0.064 0.000 1.243 41 M CA -1.094 54.230 55.300 0.042 0.000 1.090 41 M CB -0.127 32.491 32.600 0.030 0.000 1.683 41 M HN 0.017 nan 8.290 nan 0.000 0.450 42 P HA 0.058 nan 4.420 nan 0.000 0.226 42 P C 0.935 178.349 177.300 0.190 0.000 1.783 42 P CA -0.069 63.097 63.100 0.110 0.000 0.980 42 P CB -0.687 31.073 31.700 0.100 0.000 1.967 43 V N -0.162 119.847 119.914 0.158 0.000 2.568 43 V HA -0.268 3.853 4.120 0.003 0.000 0.253 43 V C 1.940 178.140 176.094 0.176 0.000 1.072 43 V CA 2.118 64.537 62.300 0.198 0.000 1.084 43 V CB -1.564 30.322 31.823 0.105 0.000 0.676 43 V HN 0.275 nan 8.190 nan 0.000 0.469 44 N N 1.837 120.587 118.700 0.084 0.000 2.520 44 N HA -0.184 4.557 4.740 0.003 0.000 0.185 44 N C 1.674 177.151 175.510 -0.055 0.000 1.068 44 N CA 1.403 54.466 53.050 0.023 0.000 0.911 44 N CB -0.823 37.667 38.487 0.005 0.000 0.961 44 N HN 0.623 nan 8.380 nan 0.000 0.446 45 R N -1.097 119.317 120.500 -0.144 0.000 2.323 45 R HA 0.096 4.437 4.340 0.003 0.000 0.198 45 R C -0.266 175.548 176.300 -0.809 0.000 0.988 45 R CA 0.395 56.199 56.100 -0.493 0.000 1.041 45 R CB -0.138 29.769 30.300 -0.655 0.000 0.926 45 R HN 0.306 nan 8.270 nan 0.000 0.476 46 Y N -0.297 120.010 120.300 0.012 0.000 2.492 46 Y HA 0.448 4.999 4.550 0.002 0.000 0.346 46 Y C 0.004 175.915 175.900 0.017 0.000 0.997 46 Y CA -1.224 56.887 58.100 0.018 0.000 1.025 46 Y CB 1.709 40.183 38.460 0.024 0.000 1.263 46 Y HN -0.280 nan 8.280 nan 0.000 0.454 47 R N 1.914 122.504 120.500 0.149 0.000 2.740 47 R HA 0.555 4.897 4.340 0.003 0.000 0.282 47 R C -2.811 173.549 176.300 0.100 0.000 0.969 47 R CA -2.113 54.037 56.100 0.083 0.000 0.918 47 R CB 1.321 31.636 30.300 0.025 0.000 1.175 47 R HN 0.360 nan 8.270 nan 0.000 0.464 48 P HA -0.070 nan 4.420 nan 0.000 0.266 48 P C 0.224 177.589 177.300 0.108 0.000 1.193 48 P CA -0.014 63.148 63.100 0.103 0.000 0.770 48 P CB 0.342 32.087 31.700 0.076 0.000 0.836 49 F N 3.094 123.060 119.950 0.028 0.000 2.115 49 F HA -0.316 4.213 4.527 0.002 0.000 0.300 49 F C 2.122 177.925 175.800 0.005 0.000 1.092 49 F CA 2.288 60.299 58.000 0.018 0.000 1.245 49 F CB -0.754 38.256 39.000 0.018 0.000 0.995 49 F HN 0.377 nan 8.300 nan 0.000 0.481 50 A N -0.329 122.475 122.820 -0.027 0.000 1.978 50 A HA -0.228 4.094 4.320 0.003 0.000 0.220 50 A C 2.088 179.566 177.584 -0.177 0.000 1.170 50 A CA 2.080 54.049 52.037 -0.115 0.000 0.636 50 A CB -0.741 18.265 19.000 0.010 0.000 0.810 50 A HN 0.629 nan 8.150 nan 0.000 0.448 51 E N -1.442 118.681 120.200 -0.128 0.000 2.276 51 E HA -0.070 4.282 4.350 0.003 0.000 0.193 51 E C 1.940 178.457 176.600 -0.138 0.000 0.983 51 E CA 0.713 57.050 56.400 -0.105 0.000 0.861 51 E CB 0.016 29.686 29.700 -0.049 0.000 0.817 51 E HN 0.636 nan 8.360 nan 0.000 0.485 52 E N 0.516 120.611 120.200 -0.175 0.000 2.107 52 E HA -0.088 4.263 4.350 0.003 0.000 0.191 52 E C 1.371 177.817 176.600 -0.257 0.000 0.982 52 E CA 0.967 57.269 56.400 -0.165 0.000 0.809 52 E CB 0.374 30.016 29.700 -0.096 0.000 0.756 52 E HN 0.026 nan 8.360 nan 0.000 0.459 53 V N -0.648 118.979 119.914 -0.478 0.000 4.535 53 V HA 0.286 4.407 4.120 0.003 0.000 0.173 53 V C 0.095 175.960 176.094 -0.382 0.000 1.036 53 V CA 0.360 62.370 62.300 -0.483 0.000 1.412 53 V CB 0.246 31.607 31.823 -0.771 0.000 1.991 53 V HN 0.379 nan 8.190 nan 0.000 0.469 54 E N 0.941 120.867 120.200 -0.457 0.000 2.423 54 E HA 0.447 4.798 4.350 0.003 0.000 0.280 54 E C -3.192 173.298 176.600 -0.183 0.000 1.030 54 E CA -1.782 54.467 56.400 -0.251 0.000 0.812 54 E CB 2.137 31.724 29.700 -0.189 0.000 1.313 54 E HN 0.265 nan 8.360 nan 0.000 0.456 55 P HA 0.211 nan 4.420 nan 0.000 0.274 55 P C -0.074 177.225 177.300 -0.002 0.000 1.246 55 P CA -0.502 62.590 63.100 -0.014 0.000 0.795 55 P CB 0.468 32.158 31.700 -0.016 0.000 1.006 56 I N 0.818 121.417 120.570 0.049 0.000 2.872 56 I HA -0.106 4.065 4.170 0.003 0.000 0.287 56 I C 2.279 178.380 176.117 -0.026 0.000 1.197 56 I CA 0.900 62.222 61.300 0.036 0.000 1.390 56 I CB -0.394 37.658 38.000 0.087 0.000 1.400 56 I HN 0.419 nan 8.210 nan 0.000 0.544 57 R N 5.529 125.946 120.500 -0.139 0.000 2.241 57 R HA 0.022 4.364 4.340 0.003 0.000 0.224 57 R C 0.760 177.064 176.300 0.006 0.000 1.101 57 R CA 0.740 56.710 56.100 -0.217 0.000 0.995 57 R CB -0.900 28.975 30.300 -0.708 0.000 0.870 57 R HN 0.508 nan 8.270 nan 0.000 0.463 58 L N 1.686 122.969 121.223 0.101 0.000 2.278 58 L HA 0.542 4.883 4.340 0.003 0.000 0.287 58 L C 0.446 177.418 176.870 0.170 0.000 1.072 58 L CA -0.424 54.560 54.840 0.240 0.000 0.819 58 L CB 0.990 43.217 42.059 0.279 0.000 1.176 58 L HN 0.491 nan 8.230 nan 0.000 0.435 59 R N 2.691 123.293 120.500 0.171 0.000 2.474 59 R HA 0.513 4.854 4.340 0.003 0.000 0.295 59 R C 0.503 176.849 176.300 0.077 0.000 0.980 59 R CA 0.042 56.204 56.100 0.103 0.000 0.934 59 R CB -0.475 29.882 30.300 0.096 0.000 1.101 59 R HN 0.837 nan 8.270 nan 0.000 0.469 60 N N 0.200 118.921 118.700 0.034 0.000 2.740 60 N HA -0.229 4.513 4.740 0.003 0.000 0.248 60 N C -0.207 175.296 175.510 -0.012 0.000 1.062 60 N CA 1.064 54.115 53.050 0.003 0.000 0.704 60 N CB -1.329 37.163 38.487 0.009 0.000 0.968 60 N HN 0.940 nan 8.380 nan 0.000 0.547 61 R N -0.799 119.684 120.500 -0.028 0.000 2.619 61 R HA 0.062 4.403 4.340 0.003 0.000 0.268 61 R C 0.941 177.136 176.300 -0.174 0.000 0.990 61 R CA 1.013 57.063 56.100 -0.084 0.000 1.092 61 R CB 0.184 30.364 30.300 -0.201 0.000 0.935 61 R HN 0.368 nan 8.270 nan 0.000 0.415 62 T N -0.912 113.570 114.554 -0.119 0.000 2.959 62 T HA -0.021 4.331 4.350 0.003 0.000 0.254 62 T C 1.598 176.236 174.700 -0.105 0.000 1.003 62 T CA -0.181 61.852 62.100 -0.112 0.000 0.950 62 T CB -0.200 68.651 68.868 -0.029 0.000 1.090 62 T HN 0.828 nan 8.240 nan 0.000 0.503 63 W N 2.661 123.960 121.300 -0.001 0.000 2.308 63 W HA -0.011 4.651 4.660 0.002 0.000 0.301 63 W C -1.774 174.746 176.519 0.001 0.000 1.220 63 W CA 1.076 58.418 57.345 -0.005 0.000 1.240 63 W CB -2.343 27.122 29.460 0.009 0.000 1.142 63 W HN 0.321 nan 8.180 nan 0.000 0.521 64 P HA -0.078 nan 4.420 nan 0.000 0.225 64 P C 0.789 178.017 177.300 -0.121 0.000 1.148 64 P CA 1.756 64.633 63.100 -0.373 0.000 0.779 64 P CB -0.233 31.050 31.700 -0.695 0.000 0.780 65 D N -1.347 118.986 120.400 -0.112 0.000 2.369 65 D HA 0.070 4.712 4.640 0.003 0.000 0.211 65 D C 0.376 176.667 176.300 -0.016 0.000 1.077 65 D CA 0.282 54.247 54.000 -0.058 0.000 0.842 65 D CB 0.326 41.082 40.800 -0.075 0.000 0.947 65 D HN 0.091 nan 8.370 nan 0.000 0.509 66 R N 1.100 121.612 120.500 0.020 0.000 2.265 66 R HA 0.381 4.723 4.340 0.003 0.000 0.328 66 R C -0.433 175.880 176.300 0.021 0.000 0.969 66 R CA -0.655 55.452 56.100 0.012 0.000 0.832 66 R CB 1.993 32.296 30.300 0.004 0.000 1.139 66 R HN -0.177 nan 8.270 nan 0.000 0.457 67 V N 5.378 125.295 119.914 0.005 0.000 2.498 67 V HA 0.239 4.360 4.120 0.003 0.000 0.279 67 V C 1.152 177.236 176.094 -0.016 0.000 1.048 67 V CA -0.624 61.684 62.300 0.014 0.000 0.967 67 V CB 1.084 32.919 31.823 0.020 0.000 0.988 67 V HN 0.576 nan 8.190 nan 0.000 0.473 68 I N 5.494 126.062 120.570 -0.004 0.000 2.741 68 I HA 0.004 4.176 4.170 0.003 0.000 0.288 68 I C 0.757 176.886 176.117 0.019 0.000 1.192 68 I CA 0.517 61.801 61.300 -0.025 0.000 1.426 68 I CB 0.275 38.335 38.000 0.100 0.000 1.367 68 I HN 0.840 nan 8.210 nan 0.000 0.563 69 D N 6.451 126.847 120.400 -0.007 0.000 2.540 69 D HA 0.104 4.746 4.640 0.003 0.000 0.229 69 D C 0.120 176.450 176.300 0.050 0.000 1.250 69 D CA -0.444 53.570 54.000 0.024 0.000 0.817 69 D CB 0.465 41.265 40.800 -0.000 0.000 1.060 69 D HN 0.626 nan 8.370 nan 0.000 0.508 70 R N -1.106 119.449 120.500 0.091 0.000 2.692 70 R HA 0.741 5.082 4.340 0.003 0.000 0.269 70 R C -1.315 175.113 176.300 0.214 0.000 1.030 70 R CA -1.029 55.145 56.100 0.123 0.000 0.882 70 R CB 0.760 31.108 30.300 0.080 0.000 1.250 70 R HN -0.092 nan 8.270 nan 0.000 0.465 71 A N 2.597 125.477 122.820 0.100 0.000 2.440 71 A HA 0.445 4.766 4.320 0.003 0.000 0.251 71 A C -1.954 175.430 177.584 -0.332 0.000 1.089 71 A CA -1.173 50.813 52.037 -0.085 0.000 0.779 71 A CB -0.233 18.758 19.000 -0.015 0.000 1.022 71 A HN 0.617 nan 8.150 nan 0.000 0.492 72 P HA 0.246 nan 4.420 nan 0.000 0.276 72 P C -0.377 176.362 177.300 -0.935 0.000 1.261 72 P CA -0.598 61.861 63.100 -1.070 0.000 0.800 72 P CB 0.512 31.185 31.700 -1.711 0.000 1.066 73 L N 1.704 122.609 121.223 -0.530 0.000 2.477 73 L HA 0.156 4.498 4.340 0.003 0.000 0.272 73 L C -0.615 176.057 176.870 -0.330 0.000 1.157 73 L CA 0.175 54.809 54.840 -0.343 0.000 0.889 73 L CB -0.675 41.291 42.059 -0.155 0.000 1.158 73 L HN 0.249 nan 8.230 nan 0.000 0.473 74 W N 4.832 126.124 121.300 -0.013 0.000 2.315 74 W HA 0.502 5.164 4.660 0.003 0.000 0.316 74 W C -0.176 176.371 176.519 0.047 0.000 1.211 74 W CA -0.617 56.759 57.345 0.052 0.000 1.201 74 W CB 1.152 30.768 29.460 0.260 0.000 1.184 74 W HN 0.609 nan 8.180 nan 0.000 0.544 75 C N 3.829 123.260 119.300 0.218 0.000 2.346 75 C HA 0.834 5.295 4.460 0.003 0.000 0.326 75 C C 0.129 175.103 174.990 -0.027 0.000 1.224 75 C CA -0.613 58.455 59.018 0.084 0.000 1.408 75 C CB -0.920 26.843 27.740 0.038 0.000 2.089 75 C HN 0.732 nan 8.230 nan 0.000 0.456 76 A N 4.706 127.441 122.820 -0.142 0.000 2.276 76 A HA 0.545 4.866 4.320 0.003 0.000 0.300 76 A C 0.582 178.099 177.584 -0.112 0.000 1.235 76 A CA -0.040 51.837 52.037 -0.268 0.000 0.867 76 A CB 0.480 19.152 19.000 -0.547 0.000 1.137 76 A HN 1.895 nan 8.150 nan 0.000 0.527 77 V N 0.043 119.907 119.914 -0.083 0.000 3.121 77 V HA 0.189 4.311 4.120 0.003 0.000 0.344 77 V C 0.350 176.436 176.094 -0.014 0.000 1.390 77 V CA 0.376 62.673 62.300 -0.006 0.000 1.177 77 V CB -0.676 31.180 31.823 0.055 0.000 1.163 77 V HN 0.642 nan 8.190 nan 0.000 0.484 78 D N 1.388 121.758 120.400 -0.050 0.000 2.178 78 D HA -0.101 4.541 4.640 0.003 0.000 0.201 78 D C 1.858 178.142 176.300 -0.026 0.000 0.980 78 D CA 1.493 55.467 54.000 -0.043 0.000 0.842 78 D CB -0.153 40.610 40.800 -0.063 0.000 0.948 78 D HN 0.489 nan 8.370 nan 0.000 0.472 79 L N -0.515 120.704 121.223 -0.007 0.000 2.313 79 L HA 0.049 4.390 4.340 0.003 0.000 0.214 79 L C 2.340 179.193 176.870 -0.028 0.000 1.119 79 L CA 0.519 55.338 54.840 -0.035 0.000 0.809 79 L CB 0.093 42.162 42.059 0.016 0.000 0.933 79 L HN -0.015 nan 8.230 nan 0.000 0.449 80 R N -0.489 120.022 120.500 0.018 0.000 2.502 80 R HA -0.012 4.329 4.340 0.003 0.000 0.174 80 R C 1.487 177.801 176.300 0.025 0.000 1.201 80 R CA 0.750 56.873 56.100 0.038 0.000 1.151 80 R CB -0.390 29.950 30.300 0.066 0.000 1.202 80 R HN 0.001 nan 8.270 nan 0.000 0.509 81 D N -0.084 120.331 120.400 0.024 0.000 2.149 81 D HA -0.074 4.568 4.640 0.003 0.000 0.198 81 D C 1.560 177.870 176.300 0.017 0.000 0.990 81 D CA 1.734 55.753 54.000 0.032 0.000 0.839 81 D CB -0.297 40.564 40.800 0.102 0.000 0.948 81 D HN 0.451 nan 8.370 nan 0.000 0.460 82 G N -0.080 108.723 108.800 0.004 0.000 2.464 82 G HA2 -0.324 3.637 3.960 0.003 0.000 0.214 82 G HA3 -0.324 3.637 3.960 0.003 0.000 0.214 82 G C 1.676 176.566 174.900 -0.016 0.000 1.218 82 G CA 0.790 45.883 45.100 -0.013 0.000 0.794 82 G HN 0.282 nan 8.290 nan 0.000 0.542 83 N N 0.464 119.151 118.700 -0.022 0.000 2.091 83 N HA -0.205 4.537 4.740 0.003 0.000 0.193 83 N C 2.187 177.692 175.510 -0.008 0.000 1.021 83 N CA 1.954 54.987 53.050 -0.029 0.000 0.862 83 N CB -0.350 38.110 38.487 -0.046 0.000 1.018 83 N HN 0.379 nan 8.380 nan 0.000 0.429 84 Q N -0.204 119.604 119.800 0.013 0.000 2.234 84 Q HA 0.029 4.371 4.340 0.003 0.000 0.206 84 Q C 1.448 177.455 176.000 0.012 0.000 0.980 84 Q CA 1.792 57.613 55.803 0.030 0.000 0.869 84 Q CB -0.529 28.239 28.738 0.050 0.000 0.912 84 Q HN 0.430 nan 8.270 nan 0.000 0.436 85 A N -0.392 122.425 122.820 -0.004 0.000 2.238 85 A HA 0.209 4.530 4.320 0.003 0.000 0.208 85 A C 0.186 177.761 177.584 -0.015 0.000 1.177 85 A CA -0.097 51.931 52.037 -0.015 0.000 0.804 85 A CB -0.226 18.757 19.000 -0.028 0.000 0.823 85 A HN 0.341 nan 8.150 nan 0.000 0.482 86 L N -0.516 120.698 121.223 -0.015 0.000 2.334 86 L HA 0.293 4.634 4.340 0.003 0.000 0.277 86 L C 1.114 177.973 176.870 -0.018 0.000 1.075 86 L CA -0.629 54.198 54.840 -0.022 0.000 0.804 86 L CB 1.157 43.196 42.059 -0.034 0.000 1.174 86 L HN 0.181 nan 8.230 nan 0.000 0.438 87 I N 0.437 120.996 120.570 -0.019 0.000 2.179 87 I HA -0.178 3.994 4.170 0.003 0.000 0.242 87 I C 0.379 176.483 176.117 -0.021 0.000 1.088 87 I CA 1.469 62.758 61.300 -0.017 0.000 1.357 87 I CB -0.067 37.923 38.000 -0.016 0.000 1.051 87 I HN 0.573 nan 8.210 nan 0.000 0.409 88 D N 1.323 121.704 120.400 -0.032 0.000 2.441 88 D HA 0.296 4.937 4.640 0.003 0.000 0.231 88 D C -2.306 173.964 176.300 -0.051 0.000 1.073 88 D CA -1.386 52.590 54.000 -0.040 0.000 0.850 88 D CB 0.992 41.762 40.800 -0.049 0.000 1.062 88 D HN -0.053 nan 8.370 nan 0.000 0.524 89 P HA 0.049 nan 4.420 nan 0.000 0.267 89 P C 0.251 177.509 177.300 -0.070 0.000 1.200 89 P CA -0.065 63.007 63.100 -0.046 0.000 0.772 89 P CB 0.661 32.345 31.700 -0.027 0.000 0.855 90 M N 1.494 121.041 119.600 -0.088 0.000 2.238 90 M HA 0.066 4.547 4.480 0.003 0.000 0.350 90 M C 0.918 177.161 176.300 -0.095 0.000 1.321 90 M CA 0.284 55.514 55.300 -0.116 0.000 1.097 90 M CB 0.101 32.617 32.600 -0.141 0.000 1.713 90 M HN 0.408 nan 8.290 nan 0.000 0.455 91 S N 3.546 119.194 115.700 -0.086 0.000 2.600 91 S HA 0.255 4.727 4.470 0.003 0.000 0.265 91 S C -1.974 172.606 174.600 -0.033 0.000 1.325 91 S CA -1.228 56.946 58.200 -0.044 0.000 1.002 91 S CB 0.303 63.485 63.200 -0.031 0.000 0.921 91 S HN 0.466 nan 8.310 nan 0.000 0.554 92 P HA -0.155 nan 4.420 nan 0.000 0.216 92 P C 1.553 178.896 177.300 0.072 0.000 1.154 92 P CA 2.139 65.272 63.100 0.055 0.000 0.865 92 P CB -0.295 31.456 31.700 0.084 0.000 0.789 93 A N -0.289 122.574 122.820 0.071 0.000 1.873 93 A HA -0.198 4.123 4.320 0.003 0.000 0.215 93 A C 2.274 179.940 177.584 0.138 0.000 1.186 93 A CA 1.473 53.576 52.037 0.111 0.000 0.616 93 A CB -0.993 18.081 19.000 0.124 0.000 0.823 93 A HN 0.074 nan 8.150 nan 0.000 0.442 94 R N -0.232 120.310 120.500 0.071 0.000 2.092 94 R HA -0.084 4.257 4.340 0.003 0.000 0.231 94 R C 2.191 178.497 176.300 0.010 0.000 1.119 94 R CA 1.472 57.589 56.100 0.028 0.000 0.970 94 R CB -0.273 29.904 30.300 -0.206 0.000 0.864 94 R HN 0.501 nan 8.270 nan 0.000 0.440 95 K N 0.549 120.903 120.400 -0.076 0.000 2.026 95 K HA -0.148 4.174 4.320 0.003 0.000 0.208 95 K C 2.171 178.781 176.600 0.017 0.000 1.048 95 K CA 1.450 57.610 56.287 -0.211 0.000 0.929 95 K CB -0.101 32.027 32.500 -0.619 0.000 0.713 95 K HN 0.165 nan 8.250 nan 0.000 0.439 96 R N 0.150 120.752 120.500 0.170 0.000 2.096 96 R HA -0.112 4.229 4.340 0.003 0.000 0.235 96 R C 2.531 178.981 176.300 0.250 0.000 1.127 96 R CA 1.107 57.379 56.100 0.286 0.000 0.968 96 R CB -0.354 30.078 30.300 0.221 0.000 0.861 96 R HN -0.010 nan 8.270 nan 0.000 0.440 97 R N 0.848 121.467 120.500 0.197 0.000 2.081 97 R HA -0.099 4.243 4.340 0.003 0.000 0.235 97 R C 2.133 178.533 176.300 0.166 0.000 1.131 97 R CA 1.805 58.013 56.100 0.180 0.000 0.960 97 R CB -0.665 29.773 30.300 0.229 0.000 0.856 97 R HN 0.285 nan 8.270 nan 0.000 0.436 98 M N -0.360 119.335 119.600 0.158 0.000 2.086 98 M HA 0.071 4.553 4.480 0.003 0.000 0.261 98 M C 1.903 178.298 176.300 0.159 0.000 1.067 98 M CA 1.851 57.223 55.300 0.121 0.000 1.116 98 M CB -0.926 31.712 32.600 0.063 0.000 1.348 98 M HN 0.379 nan 8.290 nan 0.000 0.407 99 F N 0.727 120.729 119.950 0.088 0.000 2.095 99 F HA -0.246 4.282 4.527 0.002 0.000 0.298 99 F C 1.981 177.836 175.800 0.091 0.000 1.104 99 F CA 2.564 60.641 58.000 0.129 0.000 1.232 99 F CB -0.774 38.383 39.000 0.262 0.000 0.987 99 F HN 0.378 nan 8.300 nan 0.000 0.475 100 D N -0.078 120.456 120.400 0.223 0.000 2.104 100 D HA -0.241 4.401 4.640 0.003 0.000 0.194 100 D C 2.163 178.457 176.300 -0.010 0.000 0.994 100 D CA 1.532 55.584 54.000 0.087 0.000 0.830 100 D CB -0.296 40.576 40.800 0.119 0.000 0.959 100 D HN 0.290 nan 8.370 nan 0.000 0.452 101 L N 0.146 121.379 121.223 0.018 0.000 2.017 101 L HA -0.092 4.249 4.340 0.003 0.000 0.208 101 L C 2.122 178.975 176.870 -0.028 0.000 1.073 101 L CA 1.577 56.417 54.840 -0.001 0.000 0.745 101 L CB -0.635 41.444 42.059 0.033 0.000 0.894 101 L HN 0.198 nan 8.230 nan 0.000 0.432 102 L N -1.611 119.587 121.223 -0.042 0.000 2.012 102 L HA -0.224 4.117 4.340 0.003 0.000 0.210 102 L C 2.466 179.305 176.870 -0.052 0.000 1.073 102 L CA 1.249 56.082 54.840 -0.011 0.000 0.748 102 L CB -0.767 41.226 42.059 -0.109 0.000 0.891 102 L HN 0.139 nan 8.230 nan 0.000 0.431 103 V N -0.039 119.731 119.914 -0.239 0.000 2.287 103 V HA -0.323 3.799 4.120 0.003 0.000 0.248 103 V C 2.602 178.606 176.094 -0.151 0.000 1.053 103 V CA 1.938 64.098 62.300 -0.234 0.000 1.027 103 V CB -0.654 30.983 31.823 -0.310 0.000 0.646 103 V HN 0.428 nan 8.190 nan 0.000 0.447 104 R N -0.884 119.542 120.500 -0.122 0.000 2.148 104 R HA -0.024 4.318 4.340 0.003 0.000 0.227 104 R C 2.268 178.468 176.300 -0.168 0.000 1.103 104 R CA 1.251 57.280 56.100 -0.118 0.000 0.983 104 R CB -0.299 29.950 30.300 -0.085 0.000 0.874 104 R HN 0.470 nan 8.270 nan 0.000 0.451 105 M N -1.038 118.447 119.600 -0.192 0.000 2.296 105 M HA -0.008 4.473 4.480 0.003 0.000 0.265 105 M C 1.145 177.155 176.300 -0.484 0.000 1.064 105 M CA 1.612 56.710 55.300 -0.336 0.000 1.109 105 M CB 0.311 32.737 32.600 -0.290 0.000 1.396 105 M HN 0.522 nan 8.290 nan 0.000 0.430 106 G N -1.039 107.526 108.800 -0.391 0.000 2.183 106 G HA2 -0.184 3.778 3.960 0.003 0.000 0.168 106 G HA3 -0.184 3.778 3.960 0.003 0.000 0.168 106 G C -0.349 174.329 174.900 -0.371 0.000 1.008 106 G CA -0.765 44.112 45.100 -0.372 0.000 0.677 106 G HN 0.374 nan 8.290 nan 0.000 0.498 107 Y N 0.999 121.206 120.300 -0.156 0.000 2.425 107 Y HA 0.454 5.005 4.550 0.002 0.000 0.331 107 Y C 1.581 177.430 175.900 -0.085 0.000 1.157 107 Y CA 0.189 58.231 58.100 -0.097 0.000 1.372 107 Y CB 0.904 39.290 38.460 -0.123 0.000 1.253 107 Y HN -0.102 nan 8.280 nan 0.000 0.536 108 K N 1.402 121.872 120.400 0.117 0.000 2.391 108 K HA 0.164 4.486 4.320 0.003 0.000 0.197 108 K C -0.450 176.179 176.600 0.047 0.000 1.087 108 K CA 0.325 56.637 56.287 0.043 0.000 1.012 108 K CB 0.683 33.197 32.500 0.023 0.000 0.925 108 K HN 0.720 nan 8.250 nan 0.000 0.547 109 E N 1.059 121.309 120.200 0.082 0.000 2.191 109 E HA 0.457 4.808 4.350 0.003 0.000 0.263 109 E C -0.784 175.854 176.600 0.064 0.000 0.881 109 E CA -0.304 56.132 56.400 0.061 0.000 0.757 109 E CB 2.170 31.896 29.700 0.044 0.000 1.147 109 E HN -0.037 nan 8.360 nan 0.000 0.414 110 I N 2.200 122.815 120.570 0.075 0.000 2.500 110 I HA 0.159 4.331 4.170 0.003 0.000 0.286 110 I C -0.067 176.137 176.117 0.144 0.000 1.063 110 I CA -0.630 60.725 61.300 0.092 0.000 1.062 110 I CB 1.913 39.973 38.000 0.101 0.000 1.223 110 I HN 0.438 nan 8.210 nan 0.000 0.435 111 E N 4.839 125.106 120.200 0.112 0.000 2.417 111 E HA 0.080 4.431 4.350 0.003 0.000 0.261 111 E C 0.569 177.277 176.600 0.180 0.000 1.000 111 E CA 0.031 56.508 56.400 0.128 0.000 0.919 111 E CB 1.135 30.893 29.700 0.096 0.000 0.955 111 E HN 0.605 nan 8.360 nan 0.000 0.455 112 V N 0.984 121.022 119.914 0.206 0.000 3.556 112 V HA 0.529 4.651 4.120 0.003 0.000 0.287 112 V C 0.523 176.783 176.094 0.278 0.000 1.422 112 V CA 0.371 62.853 62.300 0.305 0.000 1.038 112 V CB 0.511 32.514 31.823 0.301 0.000 0.850 112 V HN 0.640 nan 8.190 nan 0.000 0.437 113 G N -0.474 108.449 108.800 0.204 0.000 2.316 113 G HA2 0.399 4.361 3.960 0.003 0.000 0.296 113 G HA3 0.399 4.361 3.960 0.003 0.000 0.296 113 G C -1.853 173.214 174.900 0.277 0.000 1.399 113 G CA -0.311 44.924 45.100 0.224 0.000 0.833 113 G HN 0.040 nan 8.290 nan 0.000 0.565 114 F N 2.544 122.566 119.950 0.120 0.000 2.530 114 F HA 0.465 4.994 4.527 0.002 0.000 0.318 114 F C -1.564 174.326 175.800 0.150 0.000 1.356 114 F CA -3.068 55.009 58.000 0.128 0.000 1.135 114 F CB 1.350 40.417 39.000 0.112 0.000 1.315 114 F HN 0.181 nan 8.300 nan 0.000 0.549 115 P HA -0.123 nan 4.420 nan 0.000 0.223 115 P C 1.523 178.997 177.300 0.290 0.000 1.151 115 P CA 1.225 64.497 63.100 0.287 0.000 0.787 115 P CB 0.040 31.864 31.700 0.206 0.000 0.788 116 S N -0.824 114.984 115.700 0.181 0.000 2.489 116 S HA 0.169 4.640 4.470 0.003 0.000 0.228 116 S C 1.839 176.384 174.600 -0.092 0.000 0.995 116 S CA 0.653 58.903 58.200 0.083 0.000 0.934 116 S CB -0.694 62.569 63.200 0.105 0.000 0.771 116 S HN 0.128 nan 8.310 nan 0.000 0.522 117 A N 0.119 122.777 122.820 -0.270 0.000 2.382 117 A HA 0.594 4.915 4.320 0.003 0.000 0.228 117 A C 0.859 178.324 177.584 -0.198 0.000 1.217 117 A CA 0.136 51.944 52.037 -0.382 0.000 0.923 117 A CB 0.325 18.777 19.000 -0.914 0.000 0.979 117 A HN 0.438 nan 8.150 nan 0.000 0.515 118 S N -0.506 115.150 115.700 -0.073 0.000 2.779 118 S HA 0.367 4.839 4.470 0.003 0.000 0.293 118 S C 0.401 175.059 174.600 0.098 0.000 1.150 118 S CA -0.412 57.802 58.200 0.023 0.000 1.057 118 S CB 1.390 64.636 63.200 0.077 0.000 1.021 118 S HN 0.256 nan 8.310 nan 0.000 0.485 119 Q N 3.151 122.989 119.800 0.063 0.000 2.124 119 Q HA -0.100 4.242 4.340 0.003 0.000 0.202 119 Q C 1.955 178.056 176.000 0.170 0.000 0.977 119 Q CA 2.945 58.803 55.803 0.093 0.000 0.850 119 Q CB -0.594 28.152 28.738 0.013 0.000 0.901 119 Q HN 0.899 nan 8.270 nan 0.000 0.429 120 T N -2.298 112.331 114.554 0.125 0.000 2.777 120 T HA -0.115 4.237 4.350 0.003 0.000 0.266 120 T C 1.297 176.102 174.700 0.174 0.000 1.040 120 T CA 1.234 63.411 62.100 0.129 0.000 1.141 120 T CB -0.445 68.469 68.868 0.076 0.000 0.868 120 T HN 0.168 nan 8.240 nan 0.000 0.444 121 D N 0.745 121.251 120.400 0.177 0.000 2.092 121 D HA -0.045 4.596 4.640 0.003 0.000 0.193 121 D C 1.546 177.990 176.300 0.239 0.000 0.994 121 D CA 0.926 55.056 54.000 0.217 0.000 0.828 121 D CB -0.664 40.268 40.800 0.220 0.000 0.963 121 D HN 0.442 nan 8.370 nan 0.000 0.450 122 F N 1.549 121.561 119.950 0.103 0.000 2.069 122 F HA -0.232 4.297 4.527 0.002 0.000 0.298 122 F C 1.858 177.697 175.800 0.064 0.000 1.113 122 F CA 1.576 59.621 58.000 0.075 0.000 1.214 122 F CB -0.007 39.021 39.000 0.047 0.000 0.978 122 F HN -0.161 nan 8.300 nan 0.000 0.474 123 D N 0.061 120.654 120.400 0.321 0.000 2.104 123 D HA -0.255 4.386 4.640 0.003 0.000 0.194 123 D C 2.026 178.379 176.300 0.088 0.000 0.994 123 D CA 1.644 55.764 54.000 0.201 0.000 0.830 123 D CB -0.921 39.992 40.800 0.187 0.000 0.959 123 D HN 0.379 nan 8.370 nan 0.000 0.452 124 F N 1.590 121.529 119.950 -0.017 0.000 2.102 124 F HA -0.216 4.312 4.527 0.003 0.000 0.298 124 F C 2.199 177.915 175.800 -0.141 0.000 1.105 124 F CA 0.995 58.953 58.000 -0.070 0.000 1.239 124 F CB -0.357 38.614 39.000 -0.049 0.000 0.991 124 F HN -0.208 nan 8.300 nan 0.000 0.474 125 V N 1.306 121.073 119.914 -0.246 0.000 2.287 125 V HA -0.329 3.792 4.120 0.003 0.000 0.248 125 V C 2.666 178.507 176.094 -0.420 0.000 1.053 125 V CA 2.101 64.171 62.300 -0.383 0.000 1.027 125 V CB -0.752 30.914 31.823 -0.262 0.000 0.646 125 V HN 0.254 nan 8.190 nan 0.000 0.447 126 R N 0.133 120.409 120.500 -0.373 0.000 2.083 126 R HA -0.214 4.128 4.340 0.003 0.000 0.237 126 R C 2.236 178.395 176.300 -0.235 0.000 1.137 126 R CA 1.979 57.913 56.100 -0.276 0.000 0.951 126 R CB -0.939 29.254 30.300 -0.178 0.000 0.851 126 R HN 0.755 nan 8.270 nan 0.000 0.434 127 E N 1.043 121.097 120.200 -0.243 0.000 2.038 127 E HA -0.188 4.164 4.350 0.003 0.000 0.195 127 E C 2.066 178.470 176.600 -0.326 0.000 1.000 127 E CA 1.861 58.121 56.400 -0.232 0.000 0.803 127 E CB -0.173 29.413 29.700 -0.190 0.000 0.750 127 E HN 0.478 nan 8.360 nan 0.000 0.448 128 I N -1.416 118.821 120.570 -0.554 0.000 2.315 128 I HA -0.168 4.004 4.170 0.003 0.000 0.248 128 I C 2.286 178.193 176.117 -0.351 0.000 1.117 128 I CA 1.033 61.994 61.300 -0.565 0.000 1.404 128 I CB -0.372 37.051 38.000 -0.960 0.000 1.071 128 I HN 0.089 nan 8.210 nan 0.000 0.419 129 I N 1.597 121.979 120.570 -0.314 0.000 2.133 129 I HA -0.207 3.965 4.170 0.003 0.000 0.238 129 I C 2.649 178.674 176.117 -0.154 0.000 1.074 129 I CA 1.666 62.838 61.300 -0.213 0.000 1.342 129 I CB -0.412 37.465 38.000 -0.205 0.000 1.053 129 I HN 0.234 nan 8.210 nan 0.000 0.404 130 E N 0.317 120.430 120.200 -0.144 0.000 2.150 130 E HA -0.200 4.151 4.350 0.003 0.000 0.193 130 E C 1.832 178.383 176.600 -0.082 0.000 0.985 130 E CA 0.747 57.090 56.400 -0.095 0.000 0.814 130 E CB 0.028 29.682 29.700 -0.077 0.000 0.752 130 E HN 0.470 nan 8.360 nan 0.000 0.466 131 Q N -0.593 119.146 119.800 -0.102 0.000 2.360 131 Q HA 0.079 4.421 4.340 0.003 0.000 0.202 131 Q C 1.012 176.973 176.000 -0.066 0.000 0.915 131 Q CA 0.684 56.441 55.803 -0.076 0.000 0.943 131 Q CB 1.010 29.701 28.738 -0.078 0.000 1.064 131 Q HN 0.370 nan 8.270 nan 0.000 0.511 132 G N 1.190 109.944 108.800 -0.078 0.000 2.221 132 G HA2 -0.328 3.633 3.960 0.003 0.000 0.265 132 G HA3 -0.328 3.633 3.960 0.003 0.000 0.265 132 G C 0.875 175.754 174.900 -0.035 0.000 1.041 132 G CA 0.487 45.554 45.100 -0.055 0.000 0.807 132 G HN 0.477 nan 8.290 nan 0.000 0.502 133 A N -0.923 121.861 122.820 -0.060 0.000 2.119 133 A HA 0.459 4.781 4.320 0.003 0.000 0.217 133 A C 1.264 178.925 177.584 0.129 0.000 1.153 133 A CA 0.962 53.001 52.037 0.003 0.000 0.692 133 A CB -0.025 18.908 19.000 -0.111 0.000 0.799 133 A HN 0.870 nan 8.150 nan 0.000 0.458 134 I N 1.580 122.190 120.570 0.067 0.000 2.337 134 I HA 0.232 4.403 4.170 0.003 0.000 0.291 134 I C -2.294 173.871 176.117 0.080 0.000 1.046 134 I CA -2.019 59.373 61.300 0.155 0.000 1.324 134 I CB 0.889 38.938 38.000 0.081 0.000 1.409 134 I HN 0.010 nan 8.210 nan 0.000 0.494 135 P HA 0.057 nan 4.420 nan 0.000 0.269 135 P C 0.105 177.406 177.300 0.002 0.000 1.215 135 P CA -0.215 62.896 63.100 0.018 0.000 0.780 135 P CB 0.657 32.353 31.700 -0.007 0.000 0.898 136 D N 0.593 120.985 120.400 -0.013 0.000 2.218 136 D HA -0.142 4.500 4.640 0.003 0.000 0.204 136 D C 0.861 177.145 176.300 -0.026 0.000 0.976 136 D CA 1.326 55.312 54.000 -0.023 0.000 0.853 136 D CB -0.300 40.484 40.800 -0.025 0.000 0.939 136 D HN 0.540 nan 8.370 nan 0.000 0.481 137 D N -0.030 120.355 120.400 -0.025 0.000 2.325 137 D HA -0.004 4.637 4.640 0.003 0.000 0.225 137 D C 0.166 176.453 176.300 -0.022 0.000 1.096 137 D CA -0.164 53.820 54.000 -0.027 0.000 0.844 137 D CB -0.017 40.765 40.800 -0.031 0.000 0.925 137 D HN -0.081 nan 8.370 nan 0.000 0.513 138 V N 0.503 120.408 119.914 -0.014 0.000 2.472 138 V HA 0.374 4.495 4.120 0.003 0.000 0.290 138 V C 0.178 176.277 176.094 0.008 0.000 1.037 138 V CA -0.454 61.847 62.300 0.001 0.000 0.908 138 V CB 1.835 33.660 31.823 0.003 0.000 0.985 138 V HN 0.047 nan 8.190 nan 0.000 0.454 139 T N 5.983 120.544 114.554 0.012 0.000 2.788 139 T HA 0.504 4.856 4.350 0.003 0.000 0.296 139 T C 0.004 174.725 174.700 0.036 0.000 1.009 139 T CA -0.213 61.886 62.100 -0.001 0.000 0.949 139 T CB 0.585 69.439 68.868 -0.023 0.000 0.946 139 T HN 0.620 nan 8.240 nan 0.000 0.453 140 I N 1.553 122.149 120.570 0.042 0.000 2.752 140 I HA 0.365 4.536 4.170 0.003 0.000 0.287 140 I C 0.135 176.284 176.117 0.054 0.000 1.188 140 I CA -0.381 60.965 61.300 0.076 0.000 1.427 140 I CB 0.479 38.508 38.000 0.048 0.000 1.365 140 I HN 0.514 nan 8.210 nan 0.000 0.585 141 Q N 5.605 125.460 119.800 0.091 0.000 2.333 141 Q HA 0.667 5.009 4.340 0.003 0.000 0.267 141 Q C -1.285 174.788 176.000 0.121 0.000 1.012 141 Q CA -0.971 54.889 55.803 0.096 0.000 0.824 141 Q CB 2.180 30.974 28.738 0.094 0.000 1.290 141 Q HN 0.785 nan 8.270 nan 0.000 0.449 142 V N 1.817 121.811 119.914 0.134 0.000 2.604 142 V HA 0.648 4.769 4.120 0.003 0.000 0.305 142 V C -1.015 175.192 176.094 0.189 0.000 1.043 142 V CA -1.098 61.294 62.300 0.154 0.000 0.888 142 V CB 1.517 33.417 31.823 0.128 0.000 0.995 142 V HN 0.764 nan 8.190 nan 0.000 0.429 143 L N 3.585 124.905 121.223 0.162 0.000 2.307 143 L HA 0.857 5.198 4.340 0.003 0.000 0.282 143 L C 0.188 177.236 176.870 0.298 0.000 1.051 143 L CA 0.800 55.679 54.840 0.064 0.000 0.804 143 L CB 1.650 43.525 42.059 -0.308 0.000 1.197 143 L HN 1.139 nan 8.230 nan 0.000 0.431 144 T N 3.077 117.828 114.554 0.328 0.000 2.923 144 T HA 0.437 4.788 4.350 0.003 0.000 0.311 144 T C -0.755 174.174 174.700 0.381 0.000 1.183 144 T CA -0.536 61.852 62.100 0.480 0.000 1.020 144 T CB 1.149 70.236 68.868 0.365 0.000 1.165 144 T HN 0.717 nan 8.240 nan 0.000 0.482 145 Q N 0.988 120.985 119.800 0.330 0.000 2.318 145 Q HA 0.306 4.647 4.340 0.003 0.000 0.222 145 Q C 0.961 176.992 176.000 0.051 0.000 1.003 145 Q CA -0.722 55.076 55.803 -0.008 0.000 0.936 145 Q CB 0.674 29.442 28.738 0.050 0.000 1.204 145 Q HN 0.790 nan 8.270 nan 0.000 0.524 146 C N 0.729 120.027 119.300 -0.003 0.000 2.456 146 C HA 0.019 4.481 4.460 0.003 0.000 0.279 146 C C 1.347 176.351 174.990 0.023 0.000 1.427 146 C CA 0.287 59.329 59.018 0.039 0.000 1.778 146 C CB -1.327 26.446 27.740 0.054 0.000 1.842 146 C HN 0.766 nan 8.230 nan 0.000 0.531 147 R N 2.257 122.778 120.500 0.036 0.000 2.566 147 R HA 0.074 4.415 4.340 0.003 0.000 0.273 147 R C -0.913 175.399 176.300 0.019 0.000 0.981 147 R CA 0.306 56.423 56.100 0.028 0.000 1.091 147 R CB -1.331 28.991 30.300 0.036 0.000 0.924 147 R HN 0.468 nan 8.270 nan 0.000 0.411 148 P HA -0.255 nan 4.420 nan 0.000 0.217 148 P C 0.829 178.134 177.300 0.008 0.000 1.150 148 P CA 1.491 64.583 63.100 -0.014 0.000 0.832 148 P CB 0.297 31.979 31.700 -0.029 0.000 0.787 149 E N 0.848 121.058 120.200 0.017 0.000 2.152 149 E HA -0.107 4.244 4.350 0.003 0.000 0.192 149 E C 2.135 178.766 176.600 0.053 0.000 0.983 149 E CA 0.838 57.255 56.400 0.027 0.000 0.818 149 E CB -1.214 28.495 29.700 0.016 0.000 0.758 149 E HN 0.273 nan 8.360 nan 0.000 0.467 150 L N 0.533 121.791 121.223 0.059 0.000 2.072 150 L HA -0.061 4.280 4.340 0.003 0.000 0.205 150 L C 2.875 179.831 176.870 0.142 0.000 1.079 150 L CA 0.916 55.808 54.840 0.087 0.000 0.752 150 L CB -0.435 41.674 42.059 0.083 0.000 0.906 150 L HN 0.030 nan 8.230 nan 0.000 0.436 151 I N 0.008 120.660 120.570 0.136 0.000 2.208 151 I HA -0.312 3.859 4.170 0.003 0.000 0.245 151 I C 2.444 178.713 176.117 0.253 0.000 1.097 151 I CA 1.475 62.894 61.300 0.199 0.000 1.363 151 I CB -0.317 37.747 38.000 0.106 0.000 1.051 151 I HN 0.315 nan 8.210 nan 0.000 0.413 152 E N 0.379 120.665 120.200 0.143 0.000 2.077 152 E HA -0.272 4.080 4.350 0.003 0.000 0.193 152 E C 2.270 178.994 176.600 0.208 0.000 0.989 152 E CA 1.102 57.591 56.400 0.149 0.000 0.800 152 E CB -0.151 29.599 29.700 0.084 0.000 0.746 152 E HN 0.335 nan 8.360 nan 0.000 0.452 153 R N 0.460 121.068 120.500 0.180 0.000 2.120 153 R HA -0.105 4.236 4.340 0.003 0.000 0.234 153 R C 2.047 178.507 176.300 0.267 0.000 1.123 153 R CA 1.671 57.895 56.100 0.206 0.000 0.975 153 R CB -0.093 30.293 30.300 0.142 0.000 0.866 153 R HN 0.065 nan 8.270 nan 0.000 0.446 154 T N 0.183 114.886 114.554 0.247 0.000 2.737 154 T HA -0.086 4.265 4.350 0.003 0.000 0.265 154 T C 1.311 176.074 174.700 0.107 0.000 1.038 154 T CA 1.493 63.711 62.100 0.197 0.000 1.144 154 T CB -0.302 68.688 68.868 0.204 0.000 0.866 154 T HN 0.132 nan 8.240 nan 0.000 0.434 155 F N 1.750 121.694 119.950 -0.010 0.000 2.126 155 F HA -0.117 4.412 4.527 0.003 0.000 0.299 155 F C 2.758 178.434 175.800 -0.207 0.000 1.096 155 F CA 1.232 59.120 58.000 -0.185 0.000 1.255 155 F CB -0.576 38.225 39.000 -0.331 0.000 0.997 155 F HN 0.173 nan 8.300 nan 0.000 0.479 156 Q N -0.209 119.620 119.800 0.048 0.000 2.096 156 Q HA -0.204 4.137 4.340 0.003 0.000 0.204 156 Q C 2.508 178.541 176.000 0.056 0.000 0.982 156 Q CA 1.552 57.377 55.803 0.037 0.000 0.850 156 Q CB -0.548 28.303 28.738 0.190 0.000 0.901 156 Q HN 0.444 nan 8.270 nan 0.000 0.422 157 A N -0.026 122.825 122.820 0.052 0.000 1.986 157 A HA -0.211 4.111 4.320 0.003 0.000 0.220 157 A C 1.969 179.390 177.584 -0.272 0.000 1.171 157 A CA 1.374 53.180 52.037 -0.386 0.000 0.640 157 A CB -0.656 18.092 19.000 -0.419 0.000 0.811 157 A HN 0.519 nan 8.150 nan 0.000 0.451 158 C N -0.042 119.209 119.300 -0.082 0.000 2.673 158 C HA 0.333 4.794 4.460 0.003 0.000 0.274 158 C C 1.448 176.416 174.990 -0.036 0.000 1.276 158 C CA -0.331 58.661 59.018 -0.043 0.000 1.701 158 C CB -1.880 25.930 27.740 0.117 0.000 1.836 158 C HN 0.541 nan 8.230 nan 0.000 0.596 159 S N 0.368 116.042 115.700 -0.043 0.000 2.544 159 S HA 0.373 4.845 4.470 0.003 0.000 0.290 159 S C 1.362 175.932 174.600 -0.050 0.000 1.276 159 S CA 1.500 59.683 58.200 -0.029 0.000 1.075 159 S CB -0.006 63.183 63.200 -0.018 0.000 0.849 159 S HN 1.069 nan 8.310 nan 0.000 0.494 160 G N 3.054 111.828 108.800 -0.043 0.000 2.217 160 G HA2 -0.155 3.807 3.960 0.003 0.000 0.246 160 G HA3 -0.155 3.807 3.960 0.003 0.000 0.246 160 G C 0.291 175.117 174.900 -0.124 0.000 0.990 160 G CA 0.028 45.088 45.100 -0.066 0.000 0.627 160 G HN 1.496 nan 8.290 nan 0.000 0.522 161 A N 1.330 124.040 122.820 -0.184 0.000 2.477 161 A HA 0.620 4.942 4.320 0.003 0.000 0.246 161 A C 0.025 177.449 177.584 -0.267 0.000 1.078 161 A CA -0.050 51.850 52.037 -0.229 0.000 0.770 161 A CB 0.592 19.426 19.000 -0.276 0.000 1.011 161 A HN 0.188 nan 8.150 nan 0.000 0.494 162 P HA -0.037 nan 4.420 nan 0.000 0.222 162 P C 0.139 177.284 177.300 -0.259 0.000 1.153 162 P CA 1.039 64.022 63.100 -0.195 0.000 0.798 162 P CB 0.131 31.755 31.700 -0.126 0.000 0.796 163 R N -1.062 119.270 120.500 -0.280 0.000 2.663 163 R HA 0.783 5.125 4.340 0.003 0.000 0.267 163 R C -2.047 174.078 176.300 -0.292 0.000 1.038 163 R CA -0.985 54.929 56.100 -0.310 0.000 0.886 163 R CB 1.285 31.470 30.300 -0.191 0.000 1.249 163 R HN -0.104 nan 8.270 nan 0.000 0.463 164 A N 2.498 125.139 122.820 -0.299 0.000 2.589 164 A HA 0.585 4.907 4.320 0.003 0.000 0.296 164 A C -1.306 176.228 177.584 -0.082 0.000 1.062 164 A CA -0.897 51.039 52.037 -0.169 0.000 0.686 164 A CB 1.549 20.440 19.000 -0.182 0.000 1.282 164 A HN 0.642 nan 8.150 nan 0.000 0.404 165 I N 1.800 122.358 120.570 -0.020 0.000 2.312 165 I HA 0.328 4.499 4.170 0.003 0.000 0.290 165 I C -0.501 175.672 176.117 0.094 0.000 1.008 165 I CA -0.732 60.575 61.300 0.012 0.000 1.226 165 I CB 1.710 39.722 38.000 0.020 0.000 1.371 165 I HN 0.327 nan 8.210 nan 0.000 0.468 166 V N 6.590 126.583 119.914 0.131 0.000 2.368 166 V HA 0.093 4.215 4.120 0.003 0.000 0.266 166 V C 0.232 176.613 176.094 0.478 0.000 1.045 166 V CA -0.401 62.056 62.300 0.262 0.000 0.899 166 V CB 0.359 32.302 31.823 0.200 0.000 1.006 166 V HN 0.641 nan 8.190 nan 0.000 0.470 167 H N 6.701 125.932 119.070 0.269 0.000 2.690 167 H HA 0.462 5.019 4.556 0.002 0.000 0.289 167 H C -0.766 174.769 175.328 0.345 0.000 1.089 167 H CA -0.888 55.287 56.048 0.213 0.000 1.299 167 H CB 0.564 30.375 29.762 0.083 0.000 1.405 167 H HN 0.627 nan 8.280 nan 0.000 0.463 168 F N 4.841 125.025 119.950 0.391 0.000 2.458 168 F HA 0.506 5.035 4.527 0.002 0.000 0.330 168 F C -1.508 174.488 175.800 0.327 0.000 1.082 168 F CA -1.089 57.083 58.000 0.288 0.000 0.995 168 F CB 0.775 39.942 39.000 0.279 0.000 1.170 168 F HN 0.404 nan 8.300 nan 0.000 0.478 169 Y N 0.694 121.107 120.300 0.189 0.000 2.638 169 Y HA 0.662 5.214 4.550 0.002 0.000 0.335 169 Y C -1.918 174.083 175.900 0.167 0.000 1.155 169 Y CA -1.482 56.624 58.100 0.010 0.000 1.046 169 Y CB 1.619 39.944 38.460 -0.225 0.000 1.303 169 Y HN 0.918 nan 8.280 nan 0.000 0.460 170 N N 0.750 119.525 118.700 0.124 0.000 2.504 170 N HA 0.222 4.964 4.740 0.003 0.000 0.268 170 N C -1.822 173.779 175.510 0.152 0.000 1.184 170 N CA -0.622 52.458 53.050 0.050 0.000 0.875 170 N CB 2.025 40.510 38.487 -0.004 0.000 1.630 170 N HN 0.722 nan 8.380 nan 0.000 0.486 171 S N -0.034 115.762 115.700 0.159 0.000 2.498 171 S HA 0.167 4.638 4.470 0.003 0.000 0.281 171 S C 1.054 175.686 174.600 0.052 0.000 1.265 171 S CA 0.258 58.564 58.200 0.178 0.000 1.071 171 S CB -0.317 63.092 63.200 0.349 0.000 0.894 171 S HN 0.641 nan 8.310 nan 0.000 0.491 172 T N 0.832 115.470 114.554 0.141 0.000 3.054 172 T HA 0.192 4.544 4.350 0.003 0.000 0.255 172 T C 0.777 175.614 174.700 0.229 0.000 1.035 172 T CA 0.050 62.277 62.100 0.210 0.000 0.941 172 T CB -0.240 68.763 68.868 0.225 0.000 1.026 172 T HN 0.623 nan 8.240 nan 0.000 0.533 173 S N 1.044 116.846 115.700 0.171 0.000 2.576 173 S HA 0.314 4.786 4.470 0.003 0.000 0.272 173 S C 1.397 176.051 174.600 0.090 0.000 1.352 173 S CA -0.739 57.539 58.200 0.130 0.000 1.021 173 S CB 0.231 63.504 63.200 0.122 0.000 0.887 173 S HN 0.275 nan 8.310 nan 0.000 0.542 174 I N 0.884 121.477 120.570 0.039 0.000 2.118 174 I HA -0.204 3.967 4.170 0.003 0.000 0.241 174 I C 2.477 178.611 176.117 0.028 0.000 1.070 174 I CA 1.392 62.691 61.300 -0.001 0.000 1.327 174 I CB -0.585 37.392 38.000 -0.038 0.000 1.034 174 I HN 0.621 nan 8.210 nan 0.000 0.405 175 L N 0.473 121.723 121.223 0.044 0.000 1.989 175 L HA -0.265 4.077 4.340 0.003 0.000 0.211 175 L C 2.561 179.491 176.870 0.100 0.000 1.071 175 L CA 1.942 56.818 54.840 0.060 0.000 0.749 175 L CB -0.750 41.345 42.059 0.060 0.000 0.890 175 L HN 0.251 nan 8.230 nan 0.000 0.431 176 Q N -0.895 118.995 119.800 0.151 0.000 2.079 176 Q HA -0.185 4.157 4.340 0.003 0.000 0.200 176 Q C 2.338 178.550 176.000 0.353 0.000 0.974 176 Q CA 1.405 57.359 55.803 0.252 0.000 0.840 176 Q CB -0.147 28.789 28.738 0.330 0.000 0.898 176 Q HN 0.544 nan 8.270 nan 0.000 0.430 177 R N 0.376 121.020 120.500 0.240 0.000 2.113 177 R HA -0.190 4.151 4.340 0.003 0.000 0.244 177 R C 2.380 178.776 176.300 0.160 0.000 1.142 177 R CA 1.604 57.815 56.100 0.184 0.000 0.953 177 R CB -0.307 30.019 30.300 0.044 0.000 0.860 177 R HN 0.175 nan 8.270 nan 0.000 0.438 178 R N 0.630 121.190 120.500 0.099 0.000 2.055 178 R HA -0.103 4.238 4.340 0.003 0.000 0.228 178 R C 2.301 178.639 176.300 0.063 0.000 1.143 178 R CA 1.901 58.039 56.100 0.063 0.000 0.945 178 R CB -0.100 30.218 30.300 0.029 0.000 0.841 178 R HN 0.262 nan 8.270 nan 0.000 0.429 179 V N -2.087 117.863 119.914 0.060 0.000 3.174 179 V HA 0.067 4.188 4.120 0.003 0.000 0.254 179 V C 1.727 177.820 176.094 -0.001 0.000 1.120 179 V CA 0.670 62.987 62.300 0.028 0.000 1.114 179 V CB 0.626 32.462 31.823 0.022 0.000 0.756 179 V HN 0.113 nan 8.190 nan 0.000 0.467 180 V N -0.701 119.216 119.914 0.005 0.000 2.581 180 V HA 0.201 4.323 4.120 0.003 0.000 0.240 180 V C 2.142 178.033 176.094 -0.339 0.000 1.054 180 V CA 1.660 63.852 62.300 -0.180 0.000 1.076 180 V CB -0.393 31.299 31.823 -0.217 0.000 0.748 180 V HN 0.477 nan 8.190 nan 0.000 0.474 181 F N -0.051 119.923 119.950 0.039 0.000 2.656 181 F HA 0.314 4.843 4.527 0.003 0.000 0.291 181 F C 1.229 177.044 175.800 0.025 0.000 1.122 181 F CA -0.240 57.782 58.000 0.037 0.000 1.427 181 F CB -0.101 38.929 39.000 0.049 0.000 1.125 181 F HN -0.026 nan 8.300 nan 0.000 0.583 182 R N 0.242 120.833 120.500 0.152 0.000 3.251 182 R HA -0.123 4.219 4.340 0.003 0.000 0.249 182 R C -0.444 175.914 176.300 0.096 0.000 0.949 182 R CA 0.452 56.606 56.100 0.091 0.000 0.645 182 R CB -2.380 27.949 30.300 0.048 0.000 1.065 182 R HN 0.243 nan 8.270 nan 0.000 0.452 183 A N 0.734 123.624 122.820 0.116 0.000 2.515 183 A HA 0.532 4.854 4.320 0.003 0.000 0.298 183 A C 0.016 177.621 177.584 0.035 0.000 1.059 183 A CA -0.742 51.347 52.037 0.087 0.000 0.698 183 A CB 1.204 20.282 19.000 0.130 0.000 1.289 183 A HN 0.450 nan 8.150 nan 0.000 0.404 184 N N 0.629 119.332 118.700 0.005 0.000 2.327 184 N HA 0.353 5.094 4.740 0.003 0.000 0.257 184 N C 0.788 176.258 175.510 -0.066 0.000 1.281 184 N CA -0.630 52.396 53.050 -0.040 0.000 0.942 184 N CB 0.569 39.041 38.487 -0.025 0.000 1.199 184 N HN 0.615 nan 8.380 nan 0.000 0.532 185 R N -0.886 119.530 120.500 -0.140 0.000 2.073 185 R HA -0.118 4.224 4.340 0.003 0.000 0.234 185 R C 2.179 178.529 176.300 0.084 0.000 1.134 185 R CA 1.571 57.544 56.100 -0.212 0.000 0.952 185 R CB -0.795 29.264 30.300 -0.401 0.000 0.850 185 R HN 0.751 nan 8.270 nan 0.000 0.433 186 A N 1.156 124.010 122.820 0.057 0.000 1.908 186 A HA -0.259 4.063 4.320 0.003 0.000 0.218 186 A C 2.050 179.670 177.584 0.061 0.000 1.181 186 A CA 1.780 53.861 52.037 0.074 0.000 0.627 186 A CB -0.510 18.514 19.000 0.040 0.000 0.818 186 A HN 0.467 nan 8.150 nan 0.000 0.445 187 E N -0.328 119.896 120.200 0.041 0.000 2.077 187 E HA -0.133 4.219 4.350 0.003 0.000 0.193 187 E C 1.825 178.442 176.600 0.028 0.000 0.989 187 E CA 1.480 57.900 56.400 0.034 0.000 0.800 187 E CB -0.145 29.576 29.700 0.034 0.000 0.746 187 E HN 0.297 nan 8.360 nan 0.000 0.452 188 V N 1.253 121.185 119.914 0.031 0.000 2.427 188 V HA -0.263 3.859 4.120 0.003 0.000 0.248 188 V C 2.582 178.703 176.094 0.045 0.000 1.051 188 V CA 2.151 64.446 62.300 -0.007 0.000 1.048 188 V CB -0.624 31.197 31.823 -0.002 0.000 0.666 188 V HN 0.404 nan 8.190 nan 0.000 0.456 189 Q N 0.064 119.934 119.800 0.117 0.000 2.084 189 Q HA -0.226 4.115 4.340 0.003 0.000 0.202 189 Q C 2.266 178.260 176.000 -0.010 0.000 0.978 189 Q CA 1.989 57.813 55.803 0.034 0.000 0.844 189 Q CB -0.289 28.483 28.738 0.058 0.000 0.898 189 Q HN 0.627 nan 8.270 nan 0.000 0.426 190 A N 0.813 123.637 122.820 0.006 0.000 1.940 190 A HA -0.195 4.127 4.320 0.003 0.000 0.219 190 A C 1.964 179.540 177.584 -0.014 0.000 1.176 190 A CA 1.453 53.485 52.037 -0.008 0.000 0.631 190 A CB -0.727 18.275 19.000 0.003 0.000 0.814 190 A HN 0.503 nan 8.150 nan 0.000 0.446 191 I N -0.200 120.366 120.570 -0.007 0.000 2.118 191 I HA -0.345 3.826 4.170 0.003 0.000 0.241 191 I C 2.977 179.102 176.117 0.014 0.000 1.070 191 I CA 1.375 62.674 61.300 -0.001 0.000 1.327 191 I CB -0.424 37.565 38.000 -0.019 0.000 1.034 191 I HN 0.362 nan 8.210 nan 0.000 0.405 192 A N 0.811 123.643 122.820 0.020 0.000 1.873 192 A HA -0.214 4.107 4.320 0.003 0.000 0.215 192 A C 2.479 180.050 177.584 -0.022 0.000 1.186 192 A CA 2.485 54.546 52.037 0.041 0.000 0.616 192 A CB -1.308 17.618 19.000 -0.123 0.000 0.823 192 A HN 0.535 nan 8.150 nan 0.000 0.442 193 T N -1.969 112.542 114.554 -0.072 0.000 2.788 193 T HA -0.160 4.191 4.350 0.003 0.000 0.268 193 T C 1.370 176.011 174.700 -0.098 0.000 1.044 193 T CA 1.573 63.626 62.100 -0.080 0.000 1.139 193 T CB -0.542 68.285 68.868 -0.068 0.000 0.867 193 T HN 0.350 nan 8.240 nan 0.000 0.454 194 D N 1.841 122.192 120.400 -0.081 0.000 2.117 194 D HA -0.000 4.641 4.640 0.003 0.000 0.197 194 D C 2.476 178.684 176.300 -0.155 0.000 0.987 194 D CA 1.458 55.400 54.000 -0.097 0.000 0.829 194 D CB -1.090 39.674 40.800 -0.061 0.000 0.961 194 D HN 0.563 nan 8.370 nan 0.000 0.460 195 G N 0.931 109.635 108.800 -0.160 0.000 2.476 195 G HA2 -0.269 3.692 3.960 0.003 0.000 0.218 195 G HA3 -0.269 3.692 3.960 0.003 0.000 0.218 195 G C 1.733 176.229 174.900 -0.673 0.000 1.164 195 G CA 1.672 46.580 45.100 -0.320 0.000 0.768 195 G HN 0.423 nan 8.290 nan 0.000 0.560 196 A N 0.649 123.098 122.820 -0.618 0.000 1.902 196 A HA -0.016 4.306 4.320 0.003 0.000 0.217 196 A C 2.454 179.773 177.584 -0.441 0.000 1.181 196 A CA 1.748 53.412 52.037 -0.621 0.000 0.623 196 A CB -0.419 18.492 19.000 -0.147 0.000 0.818 196 A HN 0.378 nan 8.150 nan 0.000 0.443 197 R N -0.719 119.608 120.500 -0.287 0.000 2.083 197 R HA -0.166 4.176 4.340 0.003 0.000 0.237 197 R C 2.297 178.449 176.300 -0.246 0.000 1.137 197 R CA 1.731 57.700 56.100 -0.219 0.000 0.951 197 R CB -0.249 29.962 30.300 -0.149 0.000 0.851 197 R HN 0.400 nan 8.270 nan 0.000 0.434 198 K N 0.618 120.860 120.400 -0.264 0.000 2.097 198 K HA -0.116 4.206 4.320 0.003 0.000 0.206 198 K C 1.862 178.256 176.600 -0.342 0.000 1.049 198 K CA 1.528 57.658 56.287 -0.261 0.000 0.933 198 K CB -0.429 31.944 32.500 -0.212 0.000 0.717 198 K HN 0.165 nan 8.250 nan 0.000 0.442 199 C N -0.730 118.331 119.300 -0.399 0.000 2.440 199 C HA -0.016 4.446 4.460 0.003 0.000 0.278 199 C C 2.522 177.321 174.990 -0.318 0.000 1.295 199 C CA 0.618 59.439 59.018 -0.328 0.000 1.738 199 C CB -0.616 26.832 27.740 -0.486 0.000 1.987 199 C HN 0.277 nan 8.230 nan 0.000 0.492 200 V N 0.869 120.574 119.914 -0.349 0.000 2.295 200 V HA -0.234 3.888 4.120 0.003 0.000 0.246 200 V C 2.540 178.532 176.094 -0.170 0.000 1.049 200 V CA 2.282 64.469 62.300 -0.188 0.000 1.024 200 V CB -0.772 30.952 31.823 -0.165 0.000 0.648 200 V HN 0.624 nan 8.190 nan 0.000 0.447 201 E N -0.245 119.820 120.200 -0.225 0.000 2.049 201 E HA -0.301 4.051 4.350 0.003 0.000 0.198 201 E C 2.284 178.693 176.600 -0.318 0.000 1.007 201 E CA 1.686 57.951 56.400 -0.225 0.000 0.809 201 E CB -0.111 29.462 29.700 -0.212 0.000 0.749 201 E HN 0.544 nan 8.360 nan 0.000 0.450 202 Q N -0.113 119.373 119.800 -0.523 0.000 2.124 202 Q HA -0.128 4.213 4.340 0.003 0.000 0.202 202 Q C 2.131 177.695 176.000 -0.727 0.000 0.977 202 Q CA 1.339 56.647 55.803 -0.826 0.000 0.850 202 Q CB -0.424 27.352 28.738 -1.604 0.000 0.901 202 Q HN 0.404 nan 8.270 nan 0.000 0.429 203 A N 1.058 123.554 122.820 -0.540 0.000 1.933 203 A HA -0.095 4.226 4.320 0.003 0.000 0.218 203 A C 2.312 179.962 177.584 0.109 0.000 1.175 203 A CA 1.878 53.841 52.037 -0.124 0.000 0.628 203 A CB -0.583 18.585 19.000 0.279 0.000 0.814 203 A HN 0.366 nan 8.150 nan 0.000 0.444 204 A N -0.553 122.264 122.820 -0.005 0.000 1.969 204 A HA -0.106 4.216 4.320 0.003 0.000 0.218 204 A C 2.106 179.651 177.584 -0.064 0.000 1.169 204 A CA 1.743 53.784 52.037 0.006 0.000 0.635 204 A CB -0.374 18.606 19.000 -0.033 0.000 0.810 204 A HN 0.515 nan 8.150 nan 0.000 0.445 205 K N -1.500 118.768 120.400 -0.220 0.000 2.211 205 K HA -0.094 4.228 4.320 0.003 0.000 0.203 205 K C -0.489 175.791 176.600 -0.533 0.000 1.050 205 K CA 0.874 56.891 56.287 -0.451 0.000 0.945 205 K CB -0.100 31.980 32.500 -0.701 0.000 0.732 205 K HN 0.595 nan 8.250 nan 0.000 0.451 206 Y N 1.855 122.262 120.300 0.178 0.000 2.553 206 Y HA 0.289 4.841 4.550 0.004 0.000 0.369 206 Y C -2.245 173.933 175.900 0.463 0.000 0.964 206 Y CA -2.627 55.699 58.100 0.375 0.000 1.156 206 Y CB 0.525 39.351 38.460 0.609 0.000 1.218 206 Y HN 0.095 nan 8.280 nan 0.000 0.630 207 P HA 0.065 nan 4.420 nan 0.000 0.271 207 P C 1.116 178.534 177.300 0.197 0.000 1.244 207 P CA 1.235 64.490 63.100 0.259 0.000 0.793 207 P CB 1.226 33.015 31.700 0.148 0.000 0.984 208 G N -0.475 108.387 108.800 0.104 0.000 2.347 208 G HA2 -0.224 3.737 3.960 0.003 0.000 0.247 208 G HA3 -0.224 3.737 3.960 0.003 0.000 0.247 208 G C 0.299 175.159 174.900 -0.065 0.000 1.037 208 G CA 0.611 45.729 45.100 0.030 0.000 0.622 208 G HN 0.725 nan 8.290 nan 0.000 0.521 209 T N 1.755 116.231 114.554 -0.130 0.000 2.817 209 T HA 0.628 4.979 4.350 0.003 0.000 0.293 209 T C 0.500 174.849 174.700 -0.585 0.000 0.964 209 T CA 0.834 62.614 62.100 -0.534 0.000 1.085 209 T CB 1.479 69.672 68.868 -1.125 0.000 0.921 209 T HN 1.063 nan 8.240 nan 0.000 0.502 210 Q N 3.184 122.703 119.800 -0.467 0.000 2.369 210 Q HA 0.292 4.634 4.340 0.003 0.000 0.247 210 Q C -0.660 175.119 176.000 -0.369 0.000 1.083 210 Q CA -0.538 55.091 55.803 -0.291 0.000 0.905 210 Q CB -0.313 28.323 28.738 -0.171 0.000 1.305 210 Q HN 0.806 nan 8.270 nan 0.000 0.465 211 W N 1.635 122.887 121.300 -0.079 0.000 2.315 211 W HA 0.573 5.234 4.660 0.001 0.000 0.316 211 W C 0.741 176.996 176.519 -0.440 0.000 1.211 211 W CA -0.476 56.716 57.345 -0.256 0.000 1.201 211 W CB 1.123 30.481 29.460 -0.170 0.000 1.184 211 W HN 0.556 nan 8.180 nan 0.000 0.544 212 R N 1.979 122.283 120.500 -0.327 0.000 2.803 212 R HA 0.652 4.994 4.340 0.003 0.000 0.276 212 R C -1.364 174.591 176.300 -0.575 0.000 0.978 212 R CA -1.196 54.687 56.100 -0.361 0.000 0.939 212 R CB 1.877 32.090 30.300 -0.144 0.000 1.179 212 R HN 0.343 nan 8.270 nan 0.000 0.472 213 F N 0.204 120.258 119.950 0.174 0.000 2.522 213 F HA 0.401 4.929 4.527 0.001 0.000 0.324 213 F C 0.252 176.092 175.800 0.067 0.000 1.077 213 F CA -0.725 57.402 58.000 0.212 0.000 0.944 213 F CB 2.082 41.292 39.000 0.350 0.000 1.175 213 F HN 0.390 nan 8.300 nan 0.000 0.468 214 E N 1.878 122.237 120.200 0.264 0.000 2.292 214 E HA 0.331 4.683 4.350 0.003 0.000 0.272 214 E C -2.232 174.333 176.600 -0.059 0.000 0.881 214 E CA -0.780 55.628 56.400 0.012 0.000 0.754 214 E CB 2.119 31.735 29.700 -0.141 0.000 1.201 214 E HN 0.620 nan 8.360 nan 0.000 0.425 215 Y N 2.305 122.482 120.300 -0.205 0.000 2.376 215 Y HA 0.524 5.076 4.550 0.003 0.000 0.340 215 Y C -1.464 174.463 175.900 0.044 0.000 0.965 215 Y CA -0.633 57.304 58.100 -0.272 0.000 1.078 215 Y CB 2.068 40.389 38.460 -0.232 0.000 1.193 215 Y HN 0.406 nan 8.280 nan 0.000 0.452 216 S N 7.998 123.151 115.700 -0.912 0.000 2.519 216 S HA 0.404 4.876 4.470 0.003 0.000 0.309 216 S C -3.000 171.032 174.600 -0.947 0.000 1.100 216 S CA -1.506 56.306 58.200 -0.648 0.000 1.059 216 S CB 1.646 64.779 63.200 -0.110 0.000 1.008 216 S HN 0.465 nan 8.310 nan 0.000 0.478 217 P HA 0.135 nan 4.420 nan 0.000 0.273 217 P C -0.162 177.160 177.300 0.037 0.000 1.428 217 P CA -0.204 62.844 63.100 -0.087 0.000 0.995 217 P CB 0.222 31.989 31.700 0.111 0.000 1.286 218 E N 2.646 122.886 120.200 0.067 0.000 2.398 218 E HA 0.036 4.388 4.350 0.003 0.000 0.263 218 E C 0.019 176.708 176.600 0.148 0.000 1.046 218 E CA 0.257 56.717 56.400 0.100 0.000 0.908 218 E CB 0.296 30.124 29.700 0.213 0.000 0.963 218 E HN 0.350 nan 8.360 nan 0.000 0.431 219 S N 2.363 118.143 115.700 0.133 0.000 3.698 219 S HA -0.264 4.207 4.470 0.003 0.000 0.338 219 S C 0.457 175.164 174.600 0.179 0.000 1.089 219 S CA 0.980 59.272 58.200 0.153 0.000 0.991 219 S CB -2.138 61.155 63.200 0.155 0.000 0.909 219 S HN 0.704 nan 8.310 nan 0.000 0.485 220 Y N 2.442 122.789 120.300 0.079 0.000 2.207 220 Y HA -0.251 4.300 4.550 0.003 0.000 0.287 220 Y C 2.350 178.333 175.900 0.138 0.000 1.156 220 Y CA 2.368 60.523 58.100 0.092 0.000 1.182 220 Y CB -0.774 37.727 38.460 0.068 0.000 0.979 220 Y HN 0.593 nan 8.280 nan 0.000 0.521 221 T N -3.067 111.481 114.554 -0.011 0.000 3.035 221 T HA 0.021 4.373 4.350 0.003 0.000 0.268 221 T C 1.820 176.591 174.700 0.118 0.000 1.109 221 T CA 0.829 62.914 62.100 -0.026 0.000 1.119 221 T CB -0.739 68.206 68.868 0.128 0.000 0.900 221 T HN 0.426 nan 8.240 nan 0.000 0.503 222 G N 0.613 109.467 108.800 0.090 0.000 3.284 222 G HA2 0.348 4.310 3.960 0.003 0.000 0.236 222 G HA3 0.348 4.310 3.960 0.003 0.000 0.236 222 G C 0.034 174.947 174.900 0.021 0.000 1.158 222 G CA -0.325 44.822 45.100 0.078 0.000 0.774 222 G HN 0.487 nan 8.290 nan 0.000 0.545 223 T N 1.104 115.651 114.554 -0.012 0.000 2.829 223 T HA 0.392 4.743 4.350 0.003 0.000 0.280 223 T C -0.640 174.040 174.700 -0.033 0.000 0.999 223 T CA -0.565 61.555 62.100 0.032 0.000 0.983 223 T CB 2.134 71.069 68.868 0.112 0.000 0.968 223 T HN 0.187 nan 8.240 nan 0.000 0.446 224 E N 2.315 122.519 120.200 0.007 0.000 2.480 224 E HA 0.054 4.405 4.350 0.003 0.000 0.258 224 E C 1.096 177.685 176.600 -0.018 0.000 0.984 224 E CA -0.064 56.315 56.400 -0.035 0.000 0.930 224 E CB 0.283 29.974 29.700 -0.014 0.000 0.936 224 E HN 0.489 nan 8.360 nan 0.000 0.466 225 L N 2.119 123.248 121.223 -0.157 0.000 2.013 225 L HA -0.265 4.077 4.340 0.003 0.000 0.212 225 L C 2.179 179.008 176.870 -0.069 0.000 1.073 225 L CA 1.541 56.266 54.840 -0.191 0.000 0.753 225 L CB -0.329 41.363 42.059 -0.612 0.000 0.890 225 L HN 0.609 nan 8.230 nan 0.000 0.432 226 E N -0.489 119.644 120.200 -0.111 0.000 2.110 226 E HA -0.266 4.086 4.350 0.003 0.000 0.193 226 E C 2.016 178.731 176.600 0.192 0.000 0.988 226 E CA 1.331 57.806 56.400 0.125 0.000 0.804 226 E CB -0.258 29.498 29.700 0.094 0.000 0.745 226 E HN 0.472 nan 8.360 nan 0.000 0.458 227 Y N -0.247 120.074 120.300 0.035 0.000 2.220 227 Y HA -0.120 4.432 4.550 0.003 0.000 0.291 227 Y C 2.076 178.022 175.900 0.076 0.000 1.129 227 Y CA 1.408 59.533 58.100 0.042 0.000 1.161 227 Y CB -0.337 38.131 38.460 0.014 0.000 0.997 227 Y HN 0.127 nan 8.280 nan 0.000 0.522 228 A N 0.941 123.762 122.820 0.001 0.000 1.892 228 A HA -0.303 4.019 4.320 0.003 0.000 0.218 228 A C 2.270 179.846 177.584 -0.013 0.000 1.188 228 A CA 2.251 54.298 52.037 0.017 0.000 0.631 228 A CB -0.912 18.258 19.000 0.284 0.000 0.822 228 A HN 0.555 nan 8.150 nan 0.000 0.447 229 K N -0.582 119.888 120.400 0.117 0.000 2.063 229 K HA -0.236 4.086 4.320 0.003 0.000 0.208 229 K C 2.219 178.791 176.600 -0.047 0.000 1.048 229 K CA 1.777 58.109 56.287 0.075 0.000 0.928 229 K CB -0.246 32.410 32.500 0.260 0.000 0.713 229 K HN 0.653 nan 8.250 nan 0.000 0.442 230 Q N 0.111 119.889 119.800 -0.036 0.000 2.061 230 Q HA -0.149 4.192 4.340 0.003 0.000 0.204 230 Q C 2.155 178.054 176.000 -0.168 0.000 0.984 230 Q CA 1.904 57.665 55.803 -0.069 0.000 0.846 230 Q CB 0.006 28.744 28.738 0.000 0.000 0.902 230 Q HN 0.172 nan 8.270 nan 0.000 0.421 231 V N -0.159 119.572 119.914 -0.304 0.000 2.307 231 V HA -0.307 3.814 4.120 0.003 0.000 0.245 231 V C 2.334 178.236 176.094 -0.321 0.000 1.045 231 V CA 1.451 63.560 62.300 -0.319 0.000 1.024 231 V CB -0.555 31.038 31.823 -0.384 0.000 0.651 231 V HN 0.516 nan 8.190 nan 0.000 0.449 232 C N 0.229 119.314 119.300 -0.358 0.000 2.436 232 C HA -0.159 4.303 4.460 0.003 0.000 0.277 232 C C 2.605 177.307 174.990 -0.480 0.000 1.241 232 C CA 1.036 59.635 59.018 -0.700 0.000 1.721 232 C CB -1.077 26.017 27.740 -1.077 0.000 2.043 232 C HN 0.603 nan 8.230 nan 0.000 0.472 233 D N 0.986 121.223 120.400 -0.272 0.000 2.133 233 D HA -0.140 4.501 4.640 0.003 0.000 0.195 233 D C 2.240 178.523 176.300 -0.028 0.000 0.997 233 D CA 1.903 55.856 54.000 -0.078 0.000 0.840 233 D CB -0.601 40.172 40.800 -0.045 0.000 0.947 233 D HN 0.531 nan 8.370 nan 0.000 0.452 234 A N 0.409 123.182 122.820 -0.078 0.000 1.933 234 A HA -0.115 4.206 4.320 0.003 0.000 0.218 234 A C 2.544 180.106 177.584 -0.037 0.000 1.175 234 A CA 1.101 53.105 52.037 -0.054 0.000 0.628 234 A CB -0.655 18.299 19.000 -0.077 0.000 0.814 234 A HN 0.161 nan 8.150 nan 0.000 0.444 235 V N -0.195 119.679 119.914 -0.067 0.000 2.358 235 V HA -0.151 3.971 4.120 0.003 0.000 0.246 235 V C 2.812 178.996 176.094 0.151 0.000 1.047 235 V CA 1.909 64.209 62.300 -0.000 0.000 1.035 235 V CB -1.285 30.454 31.823 -0.141 0.000 0.658 235 V HN 0.608 nan 8.190 nan 0.000 0.452 236 G N -0.372 108.596 108.800 0.281 0.000 2.446 236 G HA2 -0.332 3.629 3.960 0.003 0.000 0.217 236 G HA3 -0.332 3.629 3.960 0.003 0.000 0.217 236 G C 1.639 176.621 174.900 0.136 0.000 1.168 236 G CA 1.591 46.866 45.100 0.292 0.000 0.771 236 G HN 0.587 nan 8.290 nan 0.000 0.551 237 E N 0.325 120.579 120.200 0.090 0.000 2.065 237 E HA -0.164 4.187 4.350 0.003 0.000 0.201 237 E C 2.622 179.241 176.600 0.031 0.000 1.016 237 E CA 1.904 58.332 56.400 0.048 0.000 0.818 237 E CB -0.968 28.747 29.700 0.025 0.000 0.749 237 E HN 0.321 nan 8.360 nan 0.000 0.453 238 V N 0.872 120.796 119.914 0.016 0.000 2.287 238 V HA -0.237 3.885 4.120 0.003 0.000 0.248 238 V C 2.596 178.681 176.094 -0.014 0.000 1.053 238 V CA 1.849 64.140 62.300 -0.016 0.000 1.027 238 V CB -0.442 31.350 31.823 -0.052 0.000 0.646 238 V HN 0.585 nan 8.190 nan 0.000 0.447 239 I N 0.021 120.598 120.570 0.012 0.000 2.439 239 I HA -0.000 4.171 4.170 0.003 0.000 0.251 239 I C 1.612 177.775 176.117 0.078 0.000 1.139 239 I CA 1.247 62.562 61.300 0.025 0.000 1.438 239 I CB -1.557 36.493 38.000 0.082 0.000 1.085 239 I HN 0.453 nan 8.210 nan 0.000 0.427 240 A N 1.298 124.160 122.820 0.070 0.000 2.519 240 A HA -0.139 4.183 4.320 0.003 0.000 0.297 240 A C -1.578 176.053 177.584 0.079 0.000 1.472 240 A CA 0.073 52.150 52.037 0.068 0.000 0.739 240 A CB -2.325 16.707 19.000 0.054 0.000 1.096 240 A HN 0.350 nan 8.150 nan 0.000 0.414 241 P HA 0.506 nan 4.420 nan 0.000 0.273 241 P C 0.274 177.602 177.300 0.047 0.000 1.250 241 P CA 0.815 63.955 63.100 0.066 0.000 0.793 241 P CB 0.913 32.629 31.700 0.027 0.000 1.011 242 T N -4.773 109.804 114.554 0.038 0.000 2.865 242 T HA 0.437 4.789 4.350 0.003 0.000 0.294 242 T C -2.360 172.350 174.700 0.017 0.000 1.119 242 T CA -1.991 60.126 62.100 0.029 0.000 1.007 242 T CB 1.236 70.123 68.868 0.032 0.000 1.225 242 T HN 0.015 nan 8.240 nan 0.000 0.515 243 P HA -0.025 nan 4.420 nan 0.000 0.218 243 P C 0.869 178.171 177.300 0.004 0.000 1.148 243 P CA 1.122 64.225 63.100 0.005 0.000 0.822 243 P CB 0.072 31.775 31.700 0.005 0.000 0.784 244 E N -1.561 118.644 120.200 0.008 0.000 2.230 244 E HA -0.005 4.346 4.350 0.003 0.000 0.192 244 E C 0.640 177.246 176.600 0.010 0.000 0.987 244 E CA 0.501 56.906 56.400 0.007 0.000 0.841 244 E CB -0.050 29.656 29.700 0.009 0.000 0.783 244 E HN -0.086 nan 8.360 nan 0.000 0.481 245 R N 1.343 121.855 120.500 0.020 0.000 2.724 245 R HA 0.281 4.622 4.340 0.003 0.000 0.284 245 R C -2.600 173.716 176.300 0.028 0.000 1.481 245 R CA -1.391 54.726 56.100 0.029 0.000 1.652 245 R CB -0.033 30.300 30.300 0.056 0.000 1.175 245 R HN 0.220 nan 8.270 nan 0.000 0.613 246 P HA 0.231 nan 4.420 nan 0.000 0.274 246 P C -0.042 177.236 177.300 -0.036 0.000 1.246 246 P CA -0.422 62.665 63.100 -0.022 0.000 0.795 246 P CB 1.156 32.833 31.700 -0.038 0.000 1.006 247 I N 1.040 121.542 120.570 -0.112 0.000 2.428 247 I HA 0.291 4.462 4.170 0.003 0.000 0.296 247 I C 0.060 175.978 176.117 -0.333 0.000 0.985 247 I CA -1.401 59.771 61.300 -0.212 0.000 1.260 247 I CB 0.735 38.514 38.000 -0.367 0.000 1.389 247 I HN 0.161 nan 8.210 nan 0.000 0.484 248 I N 7.357 127.767 120.570 -0.266 0.000 2.312 248 I HA 0.188 4.360 4.170 0.003 0.000 0.291 248 I C -0.838 175.097 176.117 -0.303 0.000 1.031 248 I CA -0.074 61.083 61.300 -0.238 0.000 1.293 248 I CB 0.343 38.258 38.000 -0.143 0.000 1.403 248 I HN 0.350 nan 8.210 nan 0.000 0.484 249 F N 5.009 124.939 119.950 -0.034 0.000 2.361 249 F HA 0.292 4.820 4.527 0.002 0.000 0.364 249 F C 0.441 176.158 175.800 -0.138 0.000 1.120 249 F CA -0.743 57.222 58.000 -0.058 0.000 1.102 249 F CB 0.965 39.956 39.000 -0.014 0.000 1.183 249 F HN 0.480 nan 8.300 nan 0.000 0.476 250 N N 4.766 123.456 118.700 -0.016 0.000 2.408 250 N HA 0.459 5.200 4.740 0.003 0.000 0.280 250 N C -1.440 173.961 175.510 -0.182 0.000 1.002 250 N CA -0.420 52.555 53.050 -0.126 0.000 0.907 250 N CB 0.930 39.276 38.487 -0.235 0.000 1.161 250 N HN 0.549 nan 8.380 nan 0.000 0.488 251 L N 5.248 126.338 121.223 -0.222 0.000 2.313 251 L HA 0.496 4.837 4.340 0.003 0.000 0.273 251 L C -2.188 174.620 176.870 -0.103 0.000 1.028 251 L CA -1.768 52.795 54.840 -0.462 0.000 0.871 251 L CB 1.426 42.871 42.059 -1.023 0.000 1.242 251 L HN 0.427 nan 8.230 nan 0.000 0.434 252 P HA 0.165 nan 4.420 nan 0.000 0.285 252 P C -0.396 177.004 177.300 0.167 0.000 1.259 252 P CA -0.476 62.645 63.100 0.034 0.000 0.794 252 P CB 1.904 33.504 31.700 -0.168 0.000 0.940 253 A N 3.437 126.281 122.820 0.041 0.000 3.037 253 A HA 0.186 4.508 4.320 0.003 0.000 0.272 253 A C 1.566 179.073 177.584 -0.129 0.000 1.723 253 A CA -0.030 51.991 52.037 -0.026 0.000 1.413 253 A CB -1.278 17.573 19.000 -0.249 0.000 1.112 253 A HN 0.521 nan 8.150 nan 0.000 0.606 254 T N 0.032 114.557 114.554 -0.049 0.000 2.653 254 T HA -0.116 4.236 4.350 0.003 0.000 0.268 254 T C 0.826 175.664 174.700 0.230 0.000 1.035 254 T CA 1.775 63.897 62.100 0.036 0.000 1.154 254 T CB -0.181 68.735 68.868 0.079 0.000 0.862 254 T HN 0.297 nan 8.240 nan 0.000 0.441 255 V N 1.538 121.541 119.914 0.147 0.000 2.448 255 V HA 0.284 4.406 4.120 0.003 0.000 0.295 255 V C -0.045 176.096 176.094 0.079 0.000 1.025 255 V CA -1.208 61.173 62.300 0.136 0.000 0.859 255 V CB 1.761 33.656 31.823 0.119 0.000 0.988 255 V HN 0.310 nan 8.190 nan 0.000 0.431 256 E N 3.992 124.221 120.200 0.048 0.000 2.292 256 E HA 0.137 4.489 4.350 0.003 0.000 0.265 256 E C 0.474 177.066 176.600 -0.014 0.000 1.093 256 E CA 0.122 56.505 56.400 -0.029 0.000 0.922 256 E CB 0.616 30.285 29.700 -0.052 0.000 1.001 256 E HN 0.668 nan 8.360 nan 0.000 0.444 257 M N 2.664 122.241 119.600 -0.038 0.000 2.538 257 M HA 0.092 4.573 4.480 0.003 0.000 0.259 257 M C 0.909 177.165 176.300 -0.073 0.000 1.217 257 M CA 0.286 55.600 55.300 0.022 0.000 1.131 257 M CB 1.032 33.742 32.600 0.182 0.000 1.382 257 M HN 0.480 nan 8.290 nan 0.000 0.520 258 T N -0.561 113.838 114.554 -0.258 0.000 2.598 258 T HA 0.291 4.642 4.350 0.003 0.000 0.289 258 T C -0.668 173.922 174.700 -0.184 0.000 1.056 258 T CA -0.413 61.534 62.100 -0.255 0.000 1.088 258 T CB 1.050 69.599 68.868 -0.531 0.000 1.519 258 T HN 0.282 nan 8.240 nan 0.000 0.488 259 T N 1.574 116.048 114.554 -0.133 0.000 2.900 259 T HA 0.323 4.675 4.350 0.003 0.000 0.307 259 T C -1.534 173.121 174.700 -0.075 0.000 1.065 259 T CA -0.882 61.175 62.100 -0.072 0.000 1.105 259 T CB 0.617 69.474 68.868 -0.019 0.000 0.979 259 T HN 0.476 nan 8.240 nan 0.000 0.544 260 P HA -0.110 nan 4.420 nan 0.000 0.223 260 P C 1.325 178.565 177.300 -0.102 0.000 1.151 260 P CA 0.795 63.860 63.100 -0.059 0.000 0.787 260 P CB -0.045 31.617 31.700 -0.063 0.000 0.788 261 N N 0.805 119.469 118.700 -0.059 0.000 2.149 261 N HA -0.100 4.641 4.740 0.003 0.000 0.188 261 N C 1.558 177.080 175.510 0.019 0.000 1.019 261 N CA 1.347 54.380 53.050 -0.028 0.000 0.857 261 N CB -1.477 37.212 38.487 0.337 0.000 0.997 261 N HN 0.062 nan 8.380 nan 0.000 0.426 262 V N 0.425 120.349 119.914 0.016 0.000 2.379 262 V HA -0.179 3.943 4.120 0.003 0.000 0.245 262 V C 2.281 178.362 176.094 -0.022 0.000 1.044 262 V CA 1.203 63.505 62.300 0.003 0.000 1.036 262 V CB -1.106 30.648 31.823 -0.116 0.000 0.664 262 V HN 0.147 nan 8.190 nan 0.000 0.453 263 Y N 1.788 121.987 120.300 -0.168 0.000 2.102 263 Y HA -0.345 4.207 4.550 0.003 0.000 0.280 263 Y C 2.444 178.278 175.900 -0.111 0.000 1.178 263 Y CA 1.804 59.838 58.100 -0.110 0.000 1.146 263 Y CB -0.693 37.698 38.460 -0.114 0.000 0.968 263 Y HN 0.161 nan 8.280 nan 0.000 0.504 264 A N -0.225 122.429 122.820 -0.276 0.000 1.902 264 A HA -0.189 4.132 4.320 0.003 0.000 0.217 264 A C 2.020 179.382 177.584 -0.370 0.000 1.181 264 A CA 1.902 53.584 52.037 -0.592 0.000 0.623 264 A CB -0.919 17.272 19.000 -1.350 0.000 0.818 264 A HN 0.512 nan 8.150 nan 0.000 0.443 265 D N 0.074 120.439 120.400 -0.057 0.000 2.133 265 D HA -0.160 4.481 4.640 0.003 0.000 0.195 265 D C 2.523 178.933 176.300 0.183 0.000 0.997 265 D CA 1.947 56.114 54.000 0.278 0.000 0.840 265 D CB -0.313 40.664 40.800 0.295 0.000 0.947 265 D HN 0.579 nan 8.370 nan 0.000 0.452 266 S N 0.201 115.943 115.700 0.069 0.000 2.368 266 S HA -0.130 4.342 4.470 0.003 0.000 0.225 266 S C 2.075 176.779 174.600 0.174 0.000 1.030 266 S CA 0.577 58.850 58.200 0.122 0.000 0.999 266 S CB -0.320 62.907 63.200 0.045 0.000 0.844 266 S HN 0.082 nan 8.310 nan 0.000 0.459 267 I N 2.577 123.121 120.570 -0.043 0.000 2.179 267 I HA -0.108 4.063 4.170 0.003 0.000 0.242 267 I C 2.798 178.941 176.117 0.043 0.000 1.088 267 I CA 1.688 62.938 61.300 -0.084 0.000 1.357 267 I CB -1.562 36.274 38.000 -0.273 0.000 1.051 267 I HN 0.549 nan 8.210 nan 0.000 0.409 268 E N -0.175 120.081 120.200 0.094 0.000 2.051 268 E HA -0.295 4.057 4.350 0.003 0.000 0.192 268 E C 2.347 179.048 176.600 0.168 0.000 0.991 268 E CA 1.588 58.081 56.400 0.155 0.000 0.799 268 E CB -0.380 29.485 29.700 0.275 0.000 0.748 268 E HN 0.436 nan 8.360 nan 0.000 0.449 269 W N 0.655 121.998 121.300 0.071 0.000 2.318 269 W HA -0.267 4.395 4.660 0.003 0.000 0.313 269 W C 2.058 178.608 176.519 0.052 0.000 1.221 269 W CA 1.866 59.250 57.345 0.066 0.000 1.266 269 W CB -0.094 29.410 29.460 0.074 0.000 1.150 269 W HN 0.134 nan 8.180 nan 0.000 0.496 270 M N -0.408 119.384 119.600 0.320 0.000 2.080 270 M HA -0.217 4.265 4.480 0.003 0.000 0.260 270 M C 2.317 178.599 176.300 -0.030 0.000 1.068 270 M CA 2.039 57.422 55.300 0.138 0.000 1.109 270 M CB -1.922 30.791 32.600 0.188 0.000 1.342 270 M HN 0.090 nan 8.290 nan 0.000 0.405 271 S N -0.275 115.421 115.700 -0.006 0.000 2.368 271 S HA -0.140 4.331 4.470 0.003 0.000 0.225 271 S C 2.089 176.648 174.600 -0.069 0.000 1.030 271 S CA 1.261 59.450 58.200 -0.018 0.000 0.999 271 S CB -0.113 63.091 63.200 0.006 0.000 0.844 271 S HN 0.416 nan 8.310 nan 0.000 0.459 272 R N 0.259 120.688 120.500 -0.117 0.000 2.092 272 R HA 0.025 4.366 4.340 0.003 0.000 0.231 272 R C 1.411 177.556 176.300 -0.259 0.000 1.119 272 R CA 1.887 57.885 56.100 -0.170 0.000 0.970 272 R CB -0.183 30.004 30.300 -0.188 0.000 0.864 272 R HN 0.482 nan 8.270 nan 0.000 0.440 273 N N -0.894 117.556 118.700 -0.417 0.000 2.294 273 N HA 0.128 4.870 4.740 0.003 0.000 0.186 273 N C -0.393 174.940 175.510 -0.294 0.000 1.107 273 N CA -0.323 52.433 53.050 -0.491 0.000 0.884 273 N CB 0.541 38.394 38.487 -1.057 0.000 1.030 273 N HN -0.009 nan 8.380 nan 0.000 0.482 274 L N 1.736 122.847 121.223 -0.187 0.000 2.525 274 L HA 0.092 4.434 4.340 0.003 0.000 0.278 274 L C 0.603 177.455 176.870 -0.030 0.000 1.218 274 L CA -0.582 54.212 54.840 -0.075 0.000 0.878 274 L CB 0.284 42.348 42.059 0.008 0.000 1.127 274 L HN 0.122 nan 8.230 nan 0.000 0.492 275 A N 3.280 126.098 122.820 -0.003 0.000 2.483 275 A HA 0.098 4.420 4.320 0.003 0.000 0.238 275 A C 0.933 178.554 177.584 0.061 0.000 1.070 275 A CA 0.007 52.056 52.037 0.021 0.000 0.770 275 A CB -0.044 18.972 19.000 0.027 0.000 1.008 275 A HN 0.936 nan 8.150 nan 0.000 0.497 276 N N -0.913 117.812 118.700 0.041 0.000 2.738 276 N HA -0.179 4.563 4.740 0.003 0.000 0.249 276 N C 0.681 176.222 175.510 0.052 0.000 1.047 276 N CA 1.072 54.151 53.050 0.048 0.000 0.707 276 N CB -0.707 37.820 38.487 0.068 0.000 0.937 276 N HN 0.815 nan 8.380 nan 0.000 0.545 277 R N 0.752 121.272 120.500 0.034 0.000 2.096 277 R HA -0.039 4.302 4.340 0.003 0.000 0.235 277 R C 1.188 177.503 176.300 0.023 0.000 1.127 277 R CA 2.125 58.245 56.100 0.033 0.000 0.968 277 R CB -0.087 30.216 30.300 0.006 0.000 0.861 277 R HN 0.399 nan 8.270 nan 0.000 0.440 278 E N -0.644 119.564 120.200 0.014 0.000 2.511 278 E HA 0.051 4.403 4.350 0.003 0.000 0.196 278 E C 0.552 177.156 176.600 0.006 0.000 1.066 278 E CA 0.739 57.143 56.400 0.007 0.000 0.871 278 E CB 0.400 30.102 29.700 0.003 0.000 0.863 278 E HN 0.191 nan 8.360 nan 0.000 0.520 279 S N -0.328 115.379 115.700 0.010 0.000 2.572 279 S HA 0.177 4.649 4.470 0.003 0.000 0.228 279 S C 0.147 174.727 174.600 -0.032 0.000 0.963 279 S CA -0.292 57.907 58.200 -0.001 0.000 0.939 279 S CB 0.674 63.882 63.200 0.012 0.000 0.804 279 S HN -0.070 nan 8.310 nan 0.000 0.480 280 V N 2.434 122.334 119.914 -0.024 0.000 2.459 280 V HA 0.440 4.562 4.120 0.003 0.000 0.295 280 V C -0.359 175.708 176.094 -0.046 0.000 1.029 280 V CA -0.709 61.555 62.300 -0.060 0.000 0.874 280 V CB 1.632 33.494 31.823 0.066 0.000 0.985 280 V HN 0.320 nan 8.190 nan 0.000 0.438 281 I N 5.599 126.118 120.570 -0.086 0.000 2.297 281 I HA 0.239 4.411 4.170 0.003 0.000 0.291 281 I C -0.369 175.728 176.117 -0.033 0.000 1.033 281 I CA -0.475 60.793 61.300 -0.052 0.000 1.253 281 I CB 1.237 39.199 38.000 -0.064 0.000 1.396 281 I HN 0.379 nan 8.210 nan 0.000 0.476 282 L N 7.008 128.235 121.223 0.007 0.000 2.315 282 L HA 0.298 4.639 4.340 0.003 0.000 0.283 282 L C 0.183 177.052 176.870 -0.003 0.000 1.089 282 L CA 0.719 55.574 54.840 0.025 0.000 0.833 282 L CB 0.889 42.970 42.059 0.036 0.000 1.170 282 L HN 0.528 nan 8.230 nan 0.000 0.442 283 S N 5.205 120.892 115.700 -0.021 0.000 2.503 283 S HA 0.750 5.221 4.470 0.003 0.000 0.301 283 S C -0.716 173.871 174.600 -0.022 0.000 1.087 283 S CA -0.755 57.423 58.200 -0.037 0.000 1.042 283 S CB 0.778 63.938 63.200 -0.066 0.000 1.043 283 S HN 0.535 nan 8.310 nan 0.000 0.489 284 L N 3.666 124.899 121.223 0.016 0.000 2.325 284 L HA 0.518 4.859 4.340 0.003 0.000 0.278 284 L C -0.494 176.437 176.870 0.102 0.000 1.023 284 L CA -0.726 54.174 54.840 0.100 0.000 0.811 284 L CB 1.671 43.821 42.059 0.152 0.000 1.249 284 L HN 0.852 nan 8.230 nan 0.000 0.431 285 H N 3.022 122.089 119.070 -0.005 0.000 2.488 285 H HA 0.339 4.897 4.556 0.003 0.000 0.237 285 H C -2.688 172.519 175.328 -0.202 0.000 1.395 285 H CA -1.483 54.511 56.048 -0.091 0.000 1.491 285 H CB 1.119 30.811 29.762 -0.118 0.000 1.567 285 H HN 0.264 nan 8.280 nan 0.000 0.508 286 P HA 0.206 nan 4.420 nan 0.000 0.297 286 P C -0.542 176.687 177.300 -0.118 0.000 1.331 286 P CA -0.193 62.748 63.100 -0.265 0.000 0.803 286 P CB 0.954 32.446 31.700 -0.347 0.000 0.929 287 H N 1.466 120.491 119.070 -0.076 0.000 2.505 287 H HA 0.278 4.836 4.556 0.003 0.000 0.358 287 H C 0.637 175.916 175.328 -0.081 0.000 1.304 287 H CA -0.522 55.495 56.048 -0.052 0.000 1.393 287 H CB 0.820 30.585 29.762 0.006 0.000 1.591 287 H HN 0.308 nan 8.280 nan 0.000 0.595 288 N N -0.084 118.662 118.700 0.077 0.000 2.282 288 N HA 0.021 4.763 4.740 0.003 0.000 0.240 288 N C -0.254 175.250 175.510 -0.011 0.000 1.182 288 N CA -0.002 53.048 53.050 0.000 0.000 0.874 288 N CB 0.201 38.679 38.487 -0.014 0.000 1.126 288 N HN 0.495 nan 8.380 nan 0.000 0.516 289 D N -0.277 120.128 120.400 0.007 0.000 2.190 289 D HA -0.126 4.515 4.640 0.003 0.000 0.200 289 D C 1.158 177.445 176.300 -0.021 0.000 0.992 289 D CA 1.218 55.217 54.000 -0.002 0.000 0.854 289 D CB 0.210 41.022 40.800 0.020 0.000 0.936 289 D HN 0.268 nan 8.370 nan 0.000 0.462 290 R N -0.855 119.627 120.500 -0.030 0.000 2.393 290 R HA 0.279 4.620 4.340 0.003 0.000 0.244 290 R C 0.987 177.261 176.300 -0.042 0.000 0.920 290 R CA 0.361 56.438 56.100 -0.039 0.000 1.076 290 R CB 0.808 31.082 30.300 -0.043 0.000 1.119 290 R HN 0.141 nan 8.270 nan 0.000 0.524 291 G N 1.475 110.248 108.800 -0.044 0.000 2.168 291 G HA2 -0.321 3.641 3.960 0.003 0.000 0.257 291 G HA3 -0.321 3.641 3.960 0.003 0.000 0.257 291 G C 0.610 175.480 174.900 -0.050 0.000 0.997 291 G CA 1.029 46.099 45.100 -0.049 0.000 0.708 291 G HN 0.440 nan 8.290 nan 0.000 0.520 292 T N -3.802 110.720 114.554 -0.054 0.000 3.266 292 T HA 0.702 5.053 4.350 0.003 0.000 0.278 292 T C 1.951 176.606 174.700 -0.075 0.000 1.010 292 T CA 0.962 63.028 62.100 -0.057 0.000 0.909 292 T CB 0.858 69.695 68.868 -0.053 0.000 1.122 292 T HN 1.255 nan 8.240 nan 0.000 0.536 293 A N 1.519 124.295 122.820 -0.074 0.000 1.883 293 A HA 0.010 4.332 4.320 0.003 0.000 0.217 293 A C 2.329 179.873 177.584 -0.067 0.000 1.186 293 A CA 1.827 53.809 52.037 -0.090 0.000 0.624 293 A CB -1.133 17.833 19.000 -0.057 0.000 0.822 293 A HN 0.435 nan 8.150 nan 0.000 0.444 294 V N -0.177 119.719 119.914 -0.031 0.000 2.332 294 V HA -0.284 3.837 4.120 0.003 0.000 0.248 294 V C 3.055 179.159 176.094 0.017 0.000 1.055 294 V CA 2.110 64.414 62.300 0.006 0.000 1.038 294 V CB -1.285 30.549 31.823 0.018 0.000 0.651 294 V HN 0.649 nan 8.190 nan 0.000 0.450 295 A N -0.098 122.721 122.820 -0.002 0.000 1.877 295 A HA -0.100 4.222 4.320 0.003 0.000 0.216 295 A C 2.450 180.027 177.584 -0.013 0.000 1.186 295 A CA 2.045 54.085 52.037 0.005 0.000 0.620 295 A CB -0.854 18.144 19.000 -0.002 0.000 0.822 295 A HN 0.580 nan 8.150 nan 0.000 0.443 296 A N -0.070 122.719 122.820 -0.051 0.000 1.908 296 A HA 0.086 4.407 4.320 0.003 0.000 0.218 296 A C 2.503 180.134 177.584 0.078 0.000 1.181 296 A CA 2.326 54.338 52.037 -0.042 0.000 0.627 296 A CB -1.028 17.783 19.000 -0.315 0.000 0.818 296 A HN 1.082 nan 8.150 nan 0.000 0.445 297 A N -0.658 122.182 122.820 0.032 0.000 1.902 297 A HA -0.156 4.166 4.320 0.003 0.000 0.217 297 A C 1.988 179.656 177.584 0.139 0.000 1.181 297 A CA 1.759 53.853 52.037 0.095 0.000 0.623 297 A CB -0.478 18.556 19.000 0.058 0.000 0.818 297 A HN 0.620 nan 8.150 nan 0.000 0.443 298 E N -0.294 119.977 120.200 0.120 0.000 2.072 298 E HA -0.068 4.283 4.350 0.003 0.000 0.190 298 E C 2.021 178.701 176.600 0.133 0.000 0.982 298 E CA 0.922 57.420 56.400 0.164 0.000 0.803 298 E CB -0.178 29.605 29.700 0.138 0.000 0.755 298 E HN 0.609 nan 8.360 nan 0.000 0.453 299 L N -0.189 121.049 121.223 0.025 0.000 2.046 299 L HA -0.086 4.255 4.340 0.003 0.000 0.208 299 L C 2.575 179.326 176.870 -0.199 0.000 1.077 299 L CA 1.268 56.020 54.840 -0.146 0.000 0.747 299 L CB -0.842 40.971 42.059 -0.409 0.000 0.896 299 L HN 0.263 nan 8.230 nan 0.000 0.432 300 G N -0.462 108.293 108.800 -0.075 0.000 2.422 300 G HA2 -0.297 3.664 3.960 0.003 0.000 0.218 300 G HA3 -0.297 3.664 3.960 0.003 0.000 0.218 300 G C 1.598 176.549 174.900 0.086 0.000 1.146 300 G CA 0.442 45.524 45.100 -0.031 0.000 0.769 300 G HN 0.329 nan 8.290 nan 0.000 0.547 301 F N 1.854 121.791 119.950 -0.023 0.000 2.113 301 F HA 0.069 4.597 4.527 0.002 0.000 0.297 301 F C 2.885 178.687 175.800 0.004 0.000 1.103 301 F CA 1.062 59.050 58.000 -0.020 0.000 1.248 301 F CB 0.132 39.117 39.000 -0.024 0.000 0.999 301 F HN 0.244 nan 8.300 nan 0.000 0.475 302 A N 0.496 123.281 122.820 -0.057 0.000 1.978 302 A HA -0.156 4.165 4.320 0.003 0.000 0.220 302 A C 2.183 179.794 177.584 0.044 0.000 1.170 302 A CA 1.499 53.496 52.037 -0.065 0.000 0.636 302 A CB -1.382 17.679 19.000 0.101 0.000 0.810 302 A HN 0.483 nan 8.150 nan 0.000 0.448 303 A N -1.977 120.891 122.820 0.080 0.000 2.216 303 A HA 0.345 4.667 4.320 0.003 0.000 0.214 303 A C 1.784 179.399 177.584 0.052 0.000 1.160 303 A CA 1.560 53.667 52.037 0.117 0.000 0.725 303 A CB -0.804 18.193 19.000 -0.004 0.000 0.784 303 A HN 1.870 nan 8.150 nan 0.000 0.472 304 G N -2.910 105.891 108.800 0.001 0.000 2.205 304 G HA2 0.221 4.182 3.960 0.003 0.000 0.180 304 G HA3 0.221 4.182 3.960 0.003 0.000 0.180 304 G C 0.399 175.324 174.900 0.043 0.000 1.004 304 G CA 0.102 45.200 45.100 -0.004 0.000 0.670 304 G HN 1.444 nan 8.290 nan 0.000 0.496 305 A N 0.148 123.027 122.820 0.099 0.000 2.448 305 A HA 0.524 4.846 4.320 0.003 0.000 0.239 305 A C 1.038 178.756 177.584 0.223 0.000 1.080 305 A CA 1.078 53.197 52.037 0.137 0.000 0.779 305 A CB 0.290 19.377 19.000 0.145 0.000 1.026 305 A HN 0.218 nan 8.150 nan 0.000 0.499 306 D N -0.695 119.775 120.400 0.117 0.000 2.454 306 D HA 0.133 4.775 4.640 0.003 0.000 0.214 306 D C 0.578 176.850 176.300 -0.048 0.000 1.088 306 D CA 0.493 54.548 54.000 0.092 0.000 0.855 306 D CB 0.518 41.334 40.800 0.026 0.000 1.025 306 D HN 0.561 nan 8.370 nan 0.000 0.502 307 R N 0.628 121.070 120.500 -0.096 0.000 2.626 307 R HA 0.547 4.889 4.340 0.003 0.000 0.274 307 R C -1.869 174.339 176.300 -0.153 0.000 1.031 307 R CA -0.466 55.534 56.100 -0.166 0.000 0.898 307 R CB 1.772 32.015 30.300 -0.095 0.000 1.222 307 R HN -0.190 nan 8.270 nan 0.000 0.455 308 I N 2.461 122.934 120.570 -0.161 0.000 2.499 308 I HA 0.301 4.473 4.170 0.003 0.000 0.288 308 I C -0.530 175.603 176.117 0.027 0.000 1.048 308 I CA -0.704 60.560 61.300 -0.060 0.000 1.062 308 I CB 2.257 40.222 38.000 -0.059 0.000 1.238 308 I HN 0.498 nan 8.210 nan 0.000 0.426 309 E N 4.395 124.591 120.200 -0.007 0.000 2.146 309 E HA 0.636 4.987 4.350 0.003 0.000 0.282 309 E C -0.050 176.451 176.600 -0.164 0.000 0.989 309 E CA -0.347 56.029 56.400 -0.040 0.000 0.799 309 E CB 2.030 31.757 29.700 0.044 0.000 1.088 309 E HN 0.837 nan 8.360 nan 0.000 0.397 310 G N 1.303 110.025 108.800 -0.131 0.000 2.682 310 G HA2 0.495 4.456 3.960 0.003 0.000 0.303 310 G HA3 0.495 4.456 3.960 0.003 0.000 0.303 310 G C -1.273 173.531 174.900 -0.161 0.000 1.341 310 G CA -0.370 44.636 45.100 -0.155 0.000 0.784 310 G HN 0.590 nan 8.290 nan 0.000 0.497 311 C N -0.561 118.652 119.300 -0.144 0.000 2.802 311 C HA 0.643 5.105 4.460 0.003 0.000 0.307 311 C C 0.263 175.156 174.990 -0.162 0.000 1.222 311 C CA -0.657 58.274 59.018 -0.145 0.000 1.580 311 C CB 1.070 28.765 27.740 -0.076 0.000 2.119 311 C HN 0.695 nan 8.230 nan 0.000 0.479 312 L N 2.581 123.698 121.223 -0.177 0.000 2.513 312 L HA 0.151 4.493 4.340 0.003 0.000 0.272 312 L C 0.152 176.964 176.870 -0.096 0.000 1.187 312 L CA 0.401 55.109 54.840 -0.219 0.000 0.895 312 L CB -0.274 41.729 42.059 -0.093 0.000 1.147 312 L HN 0.809 nan 8.230 nan 0.000 0.483 313 F N 1.665 121.569 119.950 -0.076 0.000 3.093 313 F HA -0.251 4.278 4.527 0.003 0.000 0.283 313 F C 1.556 177.380 175.800 0.040 0.000 0.848 313 F CA 0.918 58.826 58.000 -0.154 0.000 1.059 313 F CB -2.311 36.470 39.000 -0.364 0.000 1.191 313 F HN 0.851 nan 8.300 nan 0.000 0.514 314 G N 0.189 109.058 108.800 0.115 0.000 2.249 314 G HA2 -0.394 3.568 3.960 0.003 0.000 0.273 314 G HA3 -0.394 3.568 3.960 0.003 0.000 0.273 314 G C 0.136 175.071 174.900 0.059 0.000 1.036 314 G CA 0.288 45.440 45.100 0.086 0.000 0.824 314 G HN 0.754 nan 8.290 nan 0.000 0.504 315 N N 0.640 119.366 118.700 0.044 0.000 2.454 315 N HA 0.541 5.283 4.740 0.003 0.000 0.254 315 N C 0.690 176.190 175.510 -0.018 0.000 1.228 315 N CA 1.737 54.797 53.050 0.016 0.000 0.900 315 N CB 0.695 39.191 38.487 0.015 0.000 1.089 315 N HN 1.386 nan 8.380 nan 0.000 0.449 316 G N 1.161 109.939 108.800 -0.036 0.000 2.339 316 G HA2 0.049 4.010 3.960 0.003 0.000 0.302 316 G HA3 0.049 4.010 3.960 0.003 0.000 0.302 316 G C -1.508 173.329 174.900 -0.105 0.000 1.425 316 G CA -0.882 44.176 45.100 -0.069 0.000 0.899 316 G HN 0.546 nan 8.290 nan 0.000 0.619 317 E N 0.533 120.649 120.200 -0.141 0.000 2.415 317 E HA 0.304 4.655 4.350 0.003 0.000 0.262 317 E C 0.995 177.517 176.600 -0.131 0.000 1.038 317 E CA 0.518 56.850 56.400 -0.114 0.000 0.921 317 E CB 0.702 30.349 29.700 -0.088 0.000 0.950 317 E HN 0.651 nan 8.360 nan 0.000 0.438 318 R N -0.595 119.861 120.500 -0.073 0.000 3.951 318 R HA -0.316 4.026 4.340 0.003 0.000 0.335 318 R C 1.850 178.116 176.300 -0.057 0.000 0.258 318 R CA 2.306 58.372 56.100 -0.056 0.000 1.115 318 R CB -1.894 28.376 30.300 -0.049 0.000 0.967 318 R HN 0.774 nan 8.270 nan 0.000 0.574 319 T N -0.314 114.202 114.554 -0.063 0.000 3.088 319 T HA 0.357 4.709 4.350 0.003 0.000 0.259 319 T C 0.991 175.659 174.700 -0.053 0.000 1.122 319 T CA 1.020 63.092 62.100 -0.048 0.000 1.095 319 T CB 0.476 69.323 68.868 -0.036 0.000 0.930 319 T HN 1.225 nan 8.240 nan 0.000 0.508 320 G N 1.037 109.777 108.800 -0.100 0.000 2.566 320 G HA2 -0.076 3.886 3.960 0.003 0.000 0.599 320 G HA3 -0.076 3.886 3.960 0.003 0.000 0.599 320 G C -1.211 173.639 174.900 -0.082 0.000 1.292 320 G CA -0.762 44.284 45.100 -0.090 0.000 0.922 320 G HN 0.441 nan 8.290 nan 0.000 0.514 321 N N -1.220 117.458 118.700 -0.036 0.000 2.476 321 N HA 0.467 5.209 4.740 0.003 0.000 0.275 321 N C 0.458 175.958 175.510 -0.017 0.000 1.190 321 N CA -0.156 52.897 53.050 0.005 0.000 0.977 321 N CB 1.814 40.260 38.487 -0.069 0.000 1.200 321 N HN 0.781 nan 8.380 nan 0.000 0.515 322 V N 0.937 120.822 119.914 -0.049 0.000 2.694 322 V HA -0.080 4.042 4.120 0.003 0.000 0.306 322 V C 0.386 176.461 176.094 -0.033 0.000 1.054 322 V CA -0.333 61.944 62.300 -0.038 0.000 1.161 322 V CB 0.232 32.028 31.823 -0.046 0.000 0.916 322 V HN 0.767 nan 8.190 nan 0.000 0.490 323 C N 7.396 126.695 119.300 -0.003 0.000 2.566 323 C HA 0.299 4.761 4.460 0.003 0.000 0.393 323 C C 1.569 176.511 174.990 -0.080 0.000 1.309 323 C CA -0.521 58.489 59.018 -0.014 0.000 1.801 323 C CB -1.256 26.550 27.740 0.110 0.000 2.493 323 C HN 1.002 nan 8.230 nan 0.000 0.575 324 L N 5.142 126.267 121.223 -0.163 0.000 2.201 324 L HA -0.067 4.275 4.340 0.003 0.000 0.212 324 L C 2.260 178.953 176.870 -0.296 0.000 1.105 324 L CA 0.929 55.626 54.840 -0.238 0.000 0.775 324 L CB -0.316 41.567 42.059 -0.294 0.000 0.913 324 L HN 0.748 nan 8.230 nan 0.000 0.440 325 V N -0.818 118.887 119.914 -0.349 0.000 2.283 325 V HA -0.226 3.895 4.120 0.003 0.000 0.243 325 V C 2.509 178.312 176.094 -0.486 0.000 1.039 325 V CA 2.222 64.203 62.300 -0.531 0.000 1.016 325 V CB -0.631 30.703 31.823 -0.815 0.000 0.650 325 V HN 0.435 nan 8.190 nan 0.000 0.449 326 T N 0.750 115.220 114.554 -0.140 0.000 2.684 326 T HA -0.161 4.190 4.350 0.003 0.000 0.267 326 T C 1.937 176.631 174.700 -0.008 0.000 1.036 326 T CA 1.658 63.809 62.100 0.086 0.000 1.148 326 T CB -0.361 68.593 68.868 0.145 0.000 0.863 326 T HN 0.249 nan 8.240 nan 0.000 0.436 327 L N 0.677 121.887 121.223 -0.022 0.000 2.012 327 L HA -0.060 4.281 4.340 0.003 0.000 0.210 327 L C 3.054 179.972 176.870 0.079 0.000 1.073 327 L CA 1.520 56.417 54.840 0.096 0.000 0.748 327 L CB -1.097 41.107 42.059 0.242 0.000 0.891 327 L HN 0.387 nan 8.230 nan 0.000 0.431 328 G N -0.045 108.628 108.800 -0.212 0.000 2.421 328 G HA2 -0.219 3.742 3.960 0.003 0.000 0.216 328 G HA3 -0.219 3.742 3.960 0.003 0.000 0.216 328 G C 1.571 176.304 174.900 -0.279 0.000 1.171 328 G CA 0.594 45.590 45.100 -0.174 0.000 0.775 328 G HN 0.262 nan 8.290 nan 0.000 0.543 329 L N 0.336 121.111 121.223 -0.748 0.000 2.418 329 L HA 0.093 4.435 4.340 0.003 0.000 0.218 329 L C 2.295 178.950 176.870 -0.358 0.000 1.125 329 L CA 0.066 54.432 54.840 -0.789 0.000 0.835 329 L CB -0.175 40.841 42.059 -1.738 0.000 0.953 329 L HN 0.086 nan 8.230 nan 0.000 0.454 330 N N 0.027 118.662 118.700 -0.108 0.000 2.331 330 N HA -0.071 4.671 4.740 0.003 0.000 0.180 330 N C 1.843 177.435 175.510 0.136 0.000 1.019 330 N CA 0.973 54.108 53.050 0.143 0.000 0.881 330 N CB -0.014 38.582 38.487 0.183 0.000 0.972 330 N HN 0.290 nan 8.380 nan 0.000 0.435 331 L N -0.810 120.504 121.223 0.152 0.000 2.023 331 L HA -0.062 4.280 4.340 0.003 0.000 0.205 331 L C 2.093 179.065 176.870 0.171 0.000 1.073 331 L CA 0.793 55.746 54.840 0.188 0.000 0.745 331 L CB -0.554 41.667 42.059 0.270 0.000 0.900 331 L HN 0.050 nan 8.230 nan 0.000 0.435 332 F N 1.641 121.606 119.950 0.025 0.000 2.120 332 F HA -0.299 4.229 4.527 0.002 0.000 0.300 332 F C 2.690 178.501 175.800 0.019 0.000 1.095 332 F CA 1.773 59.780 58.000 0.011 0.000 1.249 332 F CB -0.475 38.499 39.000 -0.043 0.000 0.995 332 F HN 0.131 nan 8.300 nan 0.000 0.480 333 S N -0.589 114.992 115.700 -0.199 0.000 2.561 333 S HA 0.036 4.508 4.470 0.003 0.000 0.225 333 S C 1.554 176.075 174.600 -0.132 0.000 0.977 333 S CA 0.165 58.211 58.200 -0.255 0.000 0.926 333 S CB -0.340 62.901 63.200 0.068 0.000 0.769 333 S HN 0.413 nan 8.310 nan 0.000 0.533 334 R N 0.398 120.857 120.500 -0.068 0.000 2.577 334 R HA 0.314 4.656 4.340 0.003 0.000 0.344 334 R C 1.112 177.397 176.300 -0.024 0.000 1.037 334 R CA 0.447 56.535 56.100 -0.020 0.000 1.102 334 R CB 0.214 30.535 30.300 0.035 0.000 1.313 334 R HN 0.560 nan 8.270 nan 0.000 0.561 335 G N 0.863 109.618 108.800 -0.075 0.000 2.136 335 G HA2 -0.243 3.718 3.960 0.003 0.000 0.242 335 G HA3 -0.243 3.718 3.960 0.003 0.000 0.242 335 G C -0.039 174.879 174.900 0.031 0.000 0.989 335 G CA 0.154 45.230 45.100 -0.039 0.000 0.682 335 G HN 0.128 nan 8.290 nan 0.000 0.522 336 V N 0.948 120.905 119.914 0.072 0.000 2.370 336 V HA 0.445 4.567 4.120 0.003 0.000 0.283 336 V C 0.225 176.427 176.094 0.179 0.000 1.023 336 V CA -0.904 61.467 62.300 0.118 0.000 0.857 336 V CB 1.777 33.678 31.823 0.130 0.000 0.985 336 V HN 0.331 nan 8.190 nan 0.000 0.443 337 D N 7.849 128.348 120.400 0.166 0.000 2.412 337 D HA 0.101 4.742 4.640 0.003 0.000 0.257 337 D C -1.118 175.312 176.300 0.216 0.000 1.217 337 D CA -1.514 52.598 54.000 0.186 0.000 0.897 337 D CB 1.570 42.443 40.800 0.122 0.000 1.132 337 D HN 0.295 nan 8.370 nan 0.000 0.493 338 P HA -0.088 nan 4.420 nan 0.000 0.237 338 P C -0.238 177.282 177.300 0.367 0.000 1.178 338 P CA 0.516 63.865 63.100 0.416 0.000 0.766 338 P CB 0.228 32.207 31.700 0.466 0.000 0.876 339 Q N -1.484 118.407 119.800 0.151 0.000 2.503 339 Q HA -0.117 4.224 4.340 0.003 0.000 0.267 339 Q C -0.303 175.623 176.000 -0.123 0.000 1.030 339 Q CA 0.460 56.288 55.803 0.042 0.000 1.041 339 Q CB -1.417 27.376 28.738 0.092 0.000 1.406 339 Q HN 0.348 nan 8.270 nan 0.000 0.524 340 I N 0.427 120.839 120.570 -0.264 0.000 2.619 340 I HA 0.213 4.385 4.170 0.003 0.000 0.292 340 I C -0.108 175.580 176.117 -0.716 0.000 1.100 340 I CA -0.761 60.131 61.300 -0.680 0.000 1.043 340 I CB 1.922 39.245 38.000 -1.128 0.000 1.239 340 I HN -0.087 nan 8.210 nan 0.000 0.420 341 D N 5.314 125.313 120.400 -0.668 0.000 2.359 341 D HA 0.198 4.840 4.640 0.003 0.000 0.250 341 D C -0.023 175.925 176.300 -0.588 0.000 1.264 341 D CA 0.281 53.985 54.000 -0.493 0.000 0.911 341 D CB -0.001 40.605 40.800 -0.324 0.000 1.056 341 D HN 0.280 nan 8.370 nan 0.000 0.499 342 F N 1.197 120.980 119.950 -0.277 0.000 2.684 342 F HA 0.058 4.586 4.527 0.003 0.000 0.298 342 F C 2.166 177.818 175.800 -0.246 0.000 1.120 342 F CA -0.367 57.473 58.000 -0.266 0.000 1.332 342 F CB 0.329 39.122 39.000 -0.346 0.000 0.986 342 F HN 0.299 nan 8.300 nan 0.000 0.524 343 S N -1.085 114.553 115.700 -0.103 0.000 2.522 343 S HA -0.049 4.423 4.470 0.003 0.000 0.227 343 S C 0.815 175.376 174.600 -0.065 0.000 0.986 343 S CA 0.365 58.496 58.200 -0.114 0.000 0.929 343 S CB -0.167 62.959 63.200 -0.123 0.000 0.769 343 S HN 0.283 nan 8.310 nan 0.000 0.529 344 N N 0.653 119.333 118.700 -0.034 0.000 2.804 344 N HA 0.345 5.086 4.740 0.003 0.000 0.251 344 N C 0.050 175.589 175.510 0.048 0.000 1.250 344 N CA -0.356 52.691 53.050 -0.006 0.000 0.820 344 N CB 0.607 39.082 38.487 -0.020 0.000 1.156 344 N HN 0.352 nan 8.380 nan 0.000 0.512 345 I N 0.561 121.182 120.570 0.085 0.000 2.546 345 I HA -0.138 4.033 4.170 0.003 0.000 0.255 345 I C 1.563 177.774 176.117 0.156 0.000 1.163 345 I CA 0.928 62.332 61.300 0.173 0.000 1.457 345 I CB 0.286 38.421 38.000 0.225 0.000 1.092 345 I HN 0.352 nan 8.210 nan 0.000 0.434 346 D N 0.867 121.322 120.400 0.090 0.000 2.104 346 D HA -0.295 4.346 4.640 0.003 0.000 0.194 346 D C 1.965 178.287 176.300 0.037 0.000 0.994 346 D CA 1.646 55.677 54.000 0.051 0.000 0.830 346 D CB -0.007 40.811 40.800 0.030 0.000 0.959 346 D HN 0.537 nan 8.370 nan 0.000 0.452 347 E N 0.210 120.430 120.200 0.033 0.000 2.051 347 E HA -0.169 4.182 4.350 0.003 0.000 0.192 347 E C 2.514 179.146 176.600 0.053 0.000 0.991 347 E CA 0.770 57.184 56.400 0.023 0.000 0.799 347 E CB -0.163 29.539 29.700 0.003 0.000 0.748 347 E HN 0.294 nan 8.360 nan 0.000 0.449 348 I N 0.893 121.521 120.570 0.096 0.000 2.118 348 I HA -0.331 3.840 4.170 0.003 0.000 0.241 348 I C 2.999 179.237 176.117 0.201 0.000 1.070 348 I CA 1.676 63.076 61.300 0.166 0.000 1.327 348 I CB -0.467 37.680 38.000 0.246 0.000 1.034 348 I HN 0.155 nan 8.210 nan 0.000 0.405 349 R N 1.047 121.644 120.500 0.162 0.000 2.083 349 R HA -0.259 4.083 4.340 0.003 0.000 0.237 349 R C 2.742 179.008 176.300 -0.057 0.000 1.137 349 R CA 2.353 58.409 56.100 -0.073 0.000 0.951 349 R CB -0.331 29.846 30.300 -0.205 0.000 0.851 349 R HN 0.307 nan 8.270 nan 0.000 0.434 350 R N 0.171 120.665 120.500 -0.009 0.000 2.083 350 R HA -0.120 4.222 4.340 0.003 0.000 0.237 350 R C 2.352 178.688 176.300 0.059 0.000 1.137 350 R CA 2.274 58.378 56.100 0.007 0.000 0.951 350 R CB -2.026 28.272 30.300 -0.003 0.000 0.851 350 R HN 0.542 nan 8.270 nan 0.000 0.434 351 T N 0.518 115.113 114.554 0.068 0.000 2.684 351 T HA -0.146 4.206 4.350 0.003 0.000 0.267 351 T C 2.182 176.977 174.700 0.159 0.000 1.036 351 T CA 1.647 63.819 62.100 0.121 0.000 1.148 351 T CB -0.442 68.477 68.868 0.085 0.000 0.863 351 T HN 0.230 nan 8.240 nan 0.000 0.436 352 V N 1.705 121.689 119.914 0.116 0.000 2.255 352 V HA -0.213 3.908 4.120 0.003 0.000 0.247 352 V C 2.544 178.667 176.094 0.048 0.000 1.051 352 V CA 1.819 64.180 62.300 0.102 0.000 1.018 352 V CB -0.670 31.264 31.823 0.184 0.000 0.641 352 V HN 0.556 nan 8.190 nan 0.000 0.445 353 E N -0.960 119.248 120.200 0.013 0.000 2.110 353 E HA -0.264 4.087 4.350 0.003 0.000 0.193 353 E C 2.106 178.726 176.600 0.033 0.000 0.988 353 E CA 1.716 58.112 56.400 -0.007 0.000 0.804 353 E CB -0.296 29.382 29.700 -0.037 0.000 0.745 353 E HN 0.773 nan 8.360 nan 0.000 0.458 354 Y N 0.898 121.183 120.300 -0.024 0.000 2.145 354 Y HA -0.280 4.272 4.550 0.002 0.000 0.286 354 Y C 2.219 178.113 175.900 -0.011 0.000 1.145 354 Y CA 1.384 59.475 58.100 -0.015 0.000 1.148 354 Y CB -0.465 37.990 38.460 -0.008 0.000 0.981 354 Y HN 0.035 nan 8.280 nan 0.000 0.507 355 C N 0.811 120.057 119.300 -0.090 0.000 2.446 355 C HA -0.116 4.346 4.460 0.003 0.000 0.277 355 C C 2.237 177.132 174.990 -0.158 0.000 1.275 355 C CA 1.396 60.318 59.018 -0.159 0.000 1.727 355 C CB -1.142 26.603 27.740 0.009 0.000 2.010 355 C HN 0.624 nan 8.230 nan 0.000 0.486 356 N N -0.055 118.592 118.700 -0.089 0.000 2.392 356 N HA -0.011 4.730 4.740 0.003 0.000 0.177 356 N C 0.321 175.784 175.510 -0.078 0.000 1.066 356 N CA 0.408 53.416 53.050 -0.070 0.000 0.895 356 N CB -0.287 38.183 38.487 -0.029 0.000 0.988 356 N HN 0.416 nan 8.380 nan 0.000 0.457 357 Q N -0.115 119.628 119.800 -0.094 0.000 2.453 357 Q HA -0.177 4.164 4.340 0.003 0.000 0.294 357 Q C -0.871 175.102 176.000 -0.046 0.000 1.295 357 Q CA 0.762 56.518 55.803 -0.077 0.000 0.853 357 Q CB -1.952 26.729 28.738 -0.095 0.000 1.193 357 Q HN 0.434 nan 8.270 nan 0.000 0.461 358 L N 0.211 121.413 121.223 -0.036 0.000 2.565 358 L HA 0.469 4.811 4.340 0.003 0.000 0.261 358 L C -2.206 174.647 176.870 -0.029 0.000 0.932 358 L CA -1.760 53.066 54.840 -0.022 0.000 0.878 358 L CB 2.525 44.576 42.059 -0.013 0.000 1.333 358 L HN -0.120 nan 8.230 nan 0.000 0.409 359 P HA 0.182 nan 4.420 nan 0.000 0.278 359 P C -0.659 176.605 177.300 -0.061 0.000 1.238 359 P CA -0.351 62.721 63.100 -0.047 0.000 0.794 359 P CB 1.511 33.198 31.700 -0.022 0.000 0.955 360 V N 3.836 123.650 119.914 -0.166 0.000 2.470 360 V HA 0.022 4.143 4.120 0.003 0.000 0.276 360 V C 1.237 177.300 176.094 -0.052 0.000 1.040 360 V CA -0.270 61.889 62.300 -0.236 0.000 1.008 360 V CB -0.540 30.890 31.823 -0.655 0.000 0.990 360 V HN 0.638 nan 8.190 nan 0.000 0.477 361 H N 3.492 122.570 119.070 0.013 0.000 2.871 361 H HA 0.018 4.575 4.556 0.003 0.000 0.355 361 H C 1.041 176.391 175.328 0.037 0.000 1.092 361 H CA 0.011 56.086 56.048 0.044 0.000 1.420 361 H CB 1.034 30.848 29.762 0.086 0.000 1.400 361 H HN 0.769 nan 8.280 nan 0.000 0.604 362 E N 2.820 122.725 120.200 -0.492 0.000 2.187 362 E HA -0.194 4.157 4.350 0.003 0.000 0.199 362 E C 1.393 177.945 176.600 -0.081 0.000 1.004 362 E CA 1.481 57.712 56.400 -0.282 0.000 0.813 362 E CB 0.113 29.603 29.700 -0.350 0.000 0.736 362 E HN 0.541 nan 8.360 nan 0.000 0.468 363 R N -0.536 120.015 120.500 0.087 0.000 2.472 363 R HA 0.136 4.478 4.340 0.003 0.000 0.279 363 R C -0.194 176.204 176.300 0.163 0.000 0.953 363 R CA -0.210 55.981 56.100 0.153 0.000 1.088 363 R CB 0.099 30.523 30.300 0.207 0.000 1.197 363 R HN 0.257 nan 8.270 nan 0.000 0.536 364 H N 2.587 121.740 119.070 0.138 0.000 3.004 364 H HA 0.055 4.613 4.556 0.002 0.000 0.316 364 H C -2.172 173.201 175.328 0.075 0.000 1.014 364 H CA -1.192 54.936 56.048 0.133 0.000 1.454 364 H CB 0.698 30.571 29.762 0.185 0.000 1.472 364 H HN -0.146 nan 8.280 nan 0.000 0.571 365 P HA -0.150 nan 4.420 nan 0.000 0.263 365 P C -0.460 176.937 177.300 0.161 0.000 1.175 365 P CA 0.787 63.840 63.100 -0.079 0.000 0.761 365 P CB 0.127 31.743 31.700 -0.140 0.000 0.794 366 Y N 1.042 121.395 120.300 0.089 0.000 3.049 366 Y HA -0.318 4.234 4.550 0.003 0.000 0.478 366 Y C 1.939 177.973 175.900 0.223 0.000 1.177 366 Y CA 2.174 60.357 58.100 0.138 0.000 2.663 366 Y CB -2.370 36.152 38.460 0.102 0.000 0.854 366 Y HN 0.531 nan 8.280 nan 0.000 0.525 367 G N -0.422 108.630 108.800 0.420 0.000 2.848 367 G HA2 0.408 4.370 3.960 0.003 0.000 0.213 367 G HA3 0.408 4.370 3.960 0.003 0.000 0.213 367 G C 0.987 175.948 174.900 0.102 0.000 1.101 367 G CA 0.303 45.600 45.100 0.329 0.000 0.778 367 G HN 0.710 nan 8.290 nan 0.000 0.536 368 G N 0.442 109.305 108.800 0.105 0.000 2.484 368 G HA2 0.240 4.202 3.960 0.003 0.000 0.235 368 G HA3 0.240 4.202 3.960 0.003 0.000 0.235 368 G C 0.487 175.381 174.900 -0.011 0.000 1.282 368 G CA -0.043 45.074 45.100 0.029 0.000 0.857 368 G HN -0.010 nan 8.290 nan 0.000 0.571 369 D N 0.491 120.871 120.400 -0.032 0.000 2.149 369 D HA -0.141 4.501 4.640 0.003 0.000 0.194 369 D C 2.324 178.630 176.300 0.010 0.000 1.001 369 D CA 1.154 55.147 54.000 -0.013 0.000 0.849 369 D CB 0.086 40.865 40.800 -0.036 0.000 0.939 369 D HN 0.328 nan 8.370 nan 0.000 0.449 370 L N 0.249 121.472 121.223 -0.001 0.000 2.607 370 L HA 0.086 4.427 4.340 0.003 0.000 0.228 370 L C 2.030 178.898 176.870 -0.003 0.000 1.123 370 L CA -0.043 54.820 54.840 0.040 0.000 0.890 370 L CB 0.351 42.464 42.059 0.090 0.000 1.103 370 L HN -0.040 nan 8.230 nan 0.000 0.468 371 V N -3.493 116.343 119.914 -0.131 0.000 3.041 371 V HA -0.152 3.969 4.120 0.003 0.000 0.260 371 V C 1.093 176.889 176.094 -0.496 0.000 1.105 371 V CA 1.014 63.121 62.300 -0.323 0.000 1.125 371 V CB -0.918 30.651 31.823 -0.423 0.000 0.730 371 V HN 0.390 nan 8.190 nan 0.000 0.479 372 Y N 2.053 122.425 120.300 0.121 0.000 2.751 372 Y HA 0.495 5.047 4.550 0.002 0.000 0.289 372 Y C 0.979 176.988 175.900 0.182 0.000 1.110 372 Y CA -0.121 58.089 58.100 0.184 0.000 1.251 372 Y CB -0.098 38.470 38.460 0.180 0.000 1.178 372 Y HN 0.324 nan 8.280 nan 0.000 0.540 373 T N -1.337 113.310 114.554 0.156 0.000 2.895 373 T HA 0.860 5.212 4.350 0.003 0.000 0.283 373 T C -0.248 174.494 174.700 0.069 0.000 1.014 373 T CA -0.932 61.155 62.100 -0.022 0.000 1.037 373 T CB 2.240 70.988 68.868 -0.200 0.000 1.006 373 T HN 0.207 nan 8.240 nan 0.000 0.468 374 A N 2.012 124.821 122.820 -0.018 0.000 2.332 374 A HA 0.714 5.035 4.320 0.003 0.000 0.300 374 A C -0.039 177.443 177.584 -0.170 0.000 1.153 374 A CA -0.916 51.165 52.037 0.073 0.000 0.764 374 A CB 0.352 19.533 19.000 0.301 0.000 1.174 374 A HN 0.798 nan 8.150 nan 0.000 0.467 375 F N 1.595 121.534 119.950 -0.017 0.000 2.446 375 F HA 0.101 4.629 4.527 0.002 0.000 0.292 375 F C 1.855 177.597 175.800 -0.096 0.000 1.096 375 F CA 1.042 59.009 58.000 -0.056 0.000 1.438 375 F CB 0.238 39.200 39.000 -0.065 0.000 1.107 375 F HN 0.510 nan 8.300 nan 0.000 0.546 376 S N 0.659 116.354 115.700 -0.009 0.000 2.510 376 S HA 0.264 4.736 4.470 0.003 0.000 0.279 376 S C 1.533 176.085 174.600 -0.081 0.000 1.284 376 S CA 0.001 58.099 58.200 -0.171 0.000 1.059 376 S CB 1.023 63.848 63.200 -0.625 0.000 0.901 376 S HN 0.380 nan 8.310 nan 0.000 0.491 377 G N 3.927 112.703 108.800 -0.040 0.000 2.476 377 G HA2 -0.194 3.767 3.960 0.003 0.000 0.218 377 G HA3 -0.194 3.767 3.960 0.003 0.000 0.218 377 G C 1.596 176.508 174.900 0.021 0.000 1.164 377 G CA 1.075 46.176 45.100 0.000 0.000 0.768 377 G HN 0.730 nan 8.290 nan 0.000 0.560 378 S N -0.400 115.309 115.700 0.016 0.000 2.368 378 S HA -0.094 4.377 4.470 0.003 0.000 0.225 378 S C 1.954 176.622 174.600 0.112 0.000 1.030 378 S CA 1.086 59.330 58.200 0.074 0.000 0.999 378 S CB -0.414 62.849 63.200 0.105 0.000 0.844 378 S HN 0.639 nan 8.310 nan 0.000 0.459 379 H N 0.743 119.701 119.070 -0.187 0.000 2.357 379 H HA -0.020 4.537 4.556 0.003 0.000 0.301 379 H C 2.506 177.778 175.328 -0.093 0.000 1.082 379 H CA 1.136 56.942 56.048 -0.402 0.000 1.342 379 H CB -0.021 29.361 29.762 -0.633 0.000 1.389 379 H HN 0.441 nan 8.280 nan 0.000 0.511 380 Q N 0.512 120.384 119.800 0.119 0.000 2.061 380 Q HA -0.201 4.141 4.340 0.003 0.000 0.204 380 Q C 1.950 178.018 176.000 0.113 0.000 0.984 380 Q CA 1.887 57.780 55.803 0.150 0.000 0.846 380 Q CB -0.077 28.732 28.738 0.118 0.000 0.902 380 Q HN 0.442 nan 8.270 nan 0.000 0.421 381 D N 0.020 120.471 120.400 0.085 0.000 2.106 381 D HA -0.200 4.441 4.640 0.003 0.000 0.191 381 D C 1.791 178.132 176.300 0.068 0.000 0.997 381 D CA 1.740 55.781 54.000 0.068 0.000 0.834 381 D CB -0.097 40.739 40.800 0.060 0.000 0.956 381 D HN 0.263 nan 8.370 nan 0.000 0.448 382 A N -0.092 122.790 122.820 0.103 0.000 1.902 382 A HA -0.125 4.196 4.320 0.003 0.000 0.217 382 A C 2.431 180.050 177.584 0.058 0.000 1.181 382 A CA 1.313 53.419 52.037 0.115 0.000 0.623 382 A CB -0.842 18.323 19.000 0.274 0.000 0.818 382 A HN 0.422 nan 8.150 nan 0.000 0.443 383 I N 0.041 120.649 120.570 0.065 0.000 2.179 383 I HA -0.269 3.902 4.170 0.003 0.000 0.242 383 I C 2.207 178.273 176.117 -0.085 0.000 1.088 383 I CA 1.185 62.451 61.300 -0.057 0.000 1.357 383 I CB -0.421 37.480 38.000 -0.164 0.000 1.051 383 I HN 0.318 nan 8.210 nan 0.000 0.409 384 N N 0.968 119.660 118.700 -0.012 0.000 2.104 384 N HA -0.183 4.559 4.740 0.003 0.000 0.190 384 N C 1.768 177.262 175.510 -0.027 0.000 1.024 384 N CA 1.189 54.239 53.050 -0.000 0.000 0.853 384 N CB -0.280 38.230 38.487 0.038 0.000 1.008 384 N HN 0.281 nan 8.380 nan 0.000 0.424 385 K N 0.583 120.969 120.400 -0.024 0.000 2.032 385 K HA -0.075 4.247 4.320 0.003 0.000 0.209 385 K C 2.109 178.659 176.600 -0.082 0.000 1.048 385 K CA 1.241 57.505 56.287 -0.040 0.000 0.927 385 K CB -1.054 31.429 32.500 -0.028 0.000 0.712 385 K HN 0.280 nan 8.250 nan 0.000 0.441 386 G N 1.631 110.358 108.800 -0.121 0.000 2.433 386 G HA2 -0.206 3.756 3.960 0.003 0.000 0.216 386 G HA3 -0.206 3.756 3.960 0.003 0.000 0.216 386 G C 1.766 176.527 174.900 -0.232 0.000 1.186 386 G CA 0.706 45.684 45.100 -0.204 0.000 0.779 386 G HN 0.170 nan 8.290 nan 0.000 0.543 387 L N 0.626 121.723 121.223 -0.211 0.000 2.017 387 L HA -0.066 4.275 4.340 0.003 0.000 0.208 387 L C 2.583 179.401 176.870 -0.085 0.000 1.073 387 L CA 1.327 56.070 54.840 -0.162 0.000 0.745 387 L CB -0.499 41.509 42.059 -0.086 0.000 0.894 387 L HN 0.089 nan 8.230 nan 0.000 0.432 388 D N 0.462 120.827 120.400 -0.059 0.000 2.123 388 D HA -0.176 4.466 4.640 0.003 0.000 0.196 388 D C 2.251 178.525 176.300 -0.044 0.000 0.992 388 D CA 1.596 55.575 54.000 -0.035 0.000 0.833 388 D CB -0.144 40.643 40.800 -0.021 0.000 0.954 388 D HN 0.344 nan 8.370 nan 0.000 0.455 389 A N 0.540 123.321 122.820 -0.065 0.000 1.930 389 A HA -0.129 4.192 4.320 0.003 0.000 0.217 389 A C 2.273 179.816 177.584 -0.067 0.000 1.175 389 A CA 1.149 53.147 52.037 -0.065 0.000 0.627 389 A CB -0.503 18.451 19.000 -0.078 0.000 0.815 389 A HN 0.135 nan 8.150 nan 0.000 0.443 390 M N -0.265 119.280 119.600 -0.092 0.000 2.117 390 M HA -0.170 4.312 4.480 0.003 0.000 0.262 390 M C 2.708 178.989 176.300 -0.031 0.000 1.065 390 M CA 2.123 57.378 55.300 -0.075 0.000 1.114 390 M CB -0.419 32.114 32.600 -0.112 0.000 1.361 390 M HN 0.507 nan 8.290 nan 0.000 0.408 391 K N 0.588 120.975 120.400 -0.023 0.000 2.032 391 K HA -0.064 4.258 4.320 0.003 0.000 0.209 391 K C 2.083 178.680 176.600 -0.005 0.000 1.048 391 K CA 1.974 58.260 56.287 -0.003 0.000 0.927 391 K CB -2.191 30.311 32.500 0.003 0.000 0.712 391 K HN 0.421 nan 8.250 nan 0.000 0.441 392 L N 1.369 122.583 121.223 -0.014 0.000 2.013 392 L HA -0.241 4.101 4.340 0.003 0.000 0.212 392 L C 2.460 179.324 176.870 -0.011 0.000 1.073 392 L CA 3.276 58.109 54.840 -0.012 0.000 0.753 392 L CB -1.645 40.404 42.059 -0.017 0.000 0.890 392 L HN 0.591 nan 8.230 nan 0.000 0.432 393 D N -0.722 119.668 120.400 -0.016 0.000 2.117 393 D HA -0.022 4.620 4.640 0.003 0.000 0.197 393 D C 2.486 178.784 176.300 -0.003 0.000 0.987 393 D CA 1.714 55.706 54.000 -0.012 0.000 0.829 393 D CB -0.256 40.533 40.800 -0.018 0.000 0.961 393 D HN 0.656 nan 8.370 nan 0.000 0.460 394 A N 1.089 123.911 122.820 0.002 0.000 1.892 394 A HA -0.245 4.076 4.320 0.003 0.000 0.218 394 A C 1.800 179.389 177.584 0.008 0.000 1.188 394 A CA 2.052 54.095 52.037 0.011 0.000 0.631 394 A CB -0.619 18.392 19.000 0.018 0.000 0.822 394 A HN 0.111 nan 8.150 nan 0.000 0.447 395 D N 0.101 120.504 120.400 0.006 0.000 2.097 395 D HA -0.070 4.571 4.640 0.003 0.000 0.195 395 D C 2.019 178.321 176.300 0.003 0.000 0.989 395 D CA 1.654 55.657 54.000 0.005 0.000 0.827 395 D CB -0.579 40.223 40.800 0.003 0.000 0.966 395 D HN 0.451 nan 8.370 nan 0.000 0.456 396 A N 0.010 122.830 122.820 -0.000 0.000 2.248 396 A HA 0.239 4.560 4.320 0.003 0.000 0.210 396 A C 1.751 179.335 177.584 -0.000 0.000 1.174 396 A CA 1.359 53.395 52.037 -0.001 0.000 0.750 396 A CB -0.114 18.884 19.000 -0.004 0.000 0.780 396 A HN 0.223 nan 8.150 nan 0.000 0.478 397 A N -1.901 120.921 122.820 0.002 0.000 2.551 397 A HA 0.369 4.691 4.320 0.003 0.000 0.252 397 A C 0.518 178.105 177.584 0.006 0.000 1.199 397 A CA 0.667 52.707 52.037 0.004 0.000 0.972 397 A CB 0.219 19.222 19.000 0.004 0.000 1.153 397 A HN 0.315 nan 8.150 nan 0.000 0.559 398 D N -0.526 119.878 120.400 0.006 0.000 2.772 398 D HA -0.160 4.482 4.640 0.003 0.000 0.233 398 D C -0.391 175.915 176.300 0.010 0.000 1.143 398 D CA 0.833 54.838 54.000 0.008 0.000 0.700 398 D CB -1.473 39.331 40.800 0.006 0.000 1.076 398 D HN 0.392 nan 8.370 nan 0.000 0.430 399 C N 0.051 119.359 119.300 0.013 0.000 2.630 399 C HA 0.375 4.837 4.460 0.003 0.000 0.346 399 C C 0.268 175.271 174.990 0.022 0.000 1.245 399 C CA -0.779 58.249 59.018 0.017 0.000 1.804 399 C CB 1.875 29.626 27.740 0.019 0.000 2.279 399 C HN 0.311 nan 8.230 nan 0.000 0.498 400 D N 0.818 121.234 120.400 0.026 0.000 2.316 400 D HA 0.202 4.843 4.640 0.003 0.000 0.245 400 D C 1.179 177.506 176.300 0.044 0.000 1.171 400 D CA -0.121 53.899 54.000 0.033 0.000 0.856 400 D CB 1.281 42.100 40.800 0.031 0.000 1.090 400 D HN 0.350 nan 8.370 nan 0.000 0.476 401 V N 2.843 122.787 119.914 0.050 0.000 2.370 401 V HA -0.279 3.843 4.120 0.003 0.000 0.252 401 V C 1.555 177.711 176.094 0.103 0.000 1.068 401 V CA 1.653 63.995 62.300 0.069 0.000 1.061 401 V CB -0.519 31.348 31.823 0.073 0.000 0.656 401 V HN 0.470 nan 8.190 nan 0.000 0.455 402 D N 0.220 120.676 120.400 0.093 0.000 2.351 402 D HA -0.109 4.532 4.640 0.003 0.000 0.216 402 D C 1.508 177.860 176.300 0.086 0.000 0.968 402 D CA 1.279 55.337 54.000 0.095 0.000 0.899 402 D CB -0.230 40.608 40.800 0.063 0.000 0.907 402 D HN 0.544 nan 8.370 nan 0.000 0.514 403 D N -0.954 119.491 120.400 0.075 0.000 2.379 403 D HA 0.104 4.745 4.640 0.003 0.000 0.208 403 D C 0.812 177.155 176.300 0.072 0.000 1.065 403 D CA 0.047 54.086 54.000 0.066 0.000 0.848 403 D CB 0.488 41.316 40.800 0.047 0.000 0.949 403 D HN 0.219 nan 8.370 nan 0.000 0.509 404 M N 0.517 120.169 119.600 0.086 0.000 2.359 404 M HA 0.215 4.696 4.480 0.003 0.000 0.322 404 M C 0.020 176.385 176.300 0.108 0.000 1.166 404 M CA -1.146 54.200 55.300 0.077 0.000 1.067 404 M CB 1.654 34.288 32.600 0.058 0.000 1.523 404 M HN -0.175 nan 8.290 nan 0.000 0.467 405 L N 2.642 123.911 121.223 0.077 0.000 2.628 405 L HA -0.067 4.275 4.340 0.003 0.000 0.274 405 L C -0.631 176.320 176.870 0.136 0.000 1.209 405 L CA 0.740 55.631 54.840 0.086 0.000 0.930 405 L CB 0.036 42.117 42.059 0.037 0.000 1.183 405 L HN 0.606 nan 8.230 nan 0.000 0.492 406 W N 7.338 128.619 121.300 -0.033 0.000 2.446 406 W HA 0.124 4.786 4.660 0.003 0.000 0.316 406 W C -0.796 175.700 176.519 -0.038 0.000 1.376 406 W CA -0.526 56.801 57.345 -0.030 0.000 1.300 406 W CB 0.636 30.078 29.460 -0.030 0.000 1.351 406 W HN 0.563 nan 8.180 nan 0.000 0.530 407 Q N 6.022 125.521 119.800 -0.501 0.000 3.064 407 Q HA 0.227 4.569 4.340 0.003 0.000 0.258 407 Q C -1.181 174.446 176.000 -0.621 0.000 0.972 407 Q CA -0.300 55.240 55.803 -0.438 0.000 0.761 407 Q CB 1.404 29.998 28.738 -0.239 0.000 1.281 407 Q HN 0.268 nan 8.270 nan 0.000 0.455 408 V N 2.362 121.793 119.914 -0.805 0.000 2.482 408 V HA 0.365 4.487 4.120 0.003 0.000 0.295 408 V C -2.288 173.605 176.094 -0.336 0.000 1.026 408 V CA -1.986 59.921 62.300 -0.655 0.000 0.856 408 V CB 2.042 33.276 31.823 -0.982 0.000 1.001 408 V HN 0.348 nan 8.190 nan 0.000 0.424 409 P HA 0.138 nan 4.420 nan 0.000 0.264 409 P C -0.229 176.954 177.300 -0.195 0.000 1.183 409 P CA 0.697 63.599 63.100 -0.329 0.000 0.763 409 P CB 0.001 31.512 31.700 -0.316 0.000 0.807 410 Y N -0.905 119.342 120.300 -0.089 0.000 4.779 410 Y HA -0.233 4.318 4.550 0.003 0.000 0.284 410 Y C 0.300 176.233 175.900 0.055 0.000 0.973 410 Y CA 0.180 58.246 58.100 -0.056 0.000 1.792 410 Y CB -1.791 36.602 38.460 -0.111 0.000 1.120 410 Y HN 0.246 nan 8.280 nan 0.000 0.450 411 L N 3.032 124.384 121.223 0.215 0.000 2.353 411 L HA 0.299 4.641 4.340 0.003 0.000 0.270 411 L C -1.405 175.729 176.870 0.439 0.000 1.003 411 L CA -1.765 53.287 54.840 0.354 0.000 0.862 411 L CB 1.491 43.828 42.059 0.465 0.000 1.221 411 L HN -0.267 nan 8.230 nan 0.000 0.430 412 P HA -0.131 nan 4.420 nan 0.000 0.216 412 P C 0.263 177.731 177.300 0.279 0.000 1.150 412 P CA 1.394 64.645 63.100 0.252 0.000 0.837 412 P CB 0.338 32.137 31.700 0.164 0.000 0.786 413 I N -4.521 116.160 120.570 0.184 0.000 2.934 413 I HA 0.538 4.709 4.170 0.003 0.000 0.306 413 I C -0.653 175.005 176.117 -0.766 0.000 1.110 413 I CA -1.585 59.575 61.300 -0.233 0.000 1.019 413 I CB 1.947 39.991 38.000 0.073 0.000 1.227 413 I HN -0.403 nan 8.210 nan 0.000 0.434 414 D N 4.864 124.253 120.400 -1.686 0.000 2.382 414 D HA 0.200 4.842 4.640 0.003 0.000 0.259 414 D C -1.780 174.102 176.300 -0.698 0.000 1.224 414 D CA -1.919 51.028 54.000 -1.756 0.000 0.894 414 D CB 1.519 41.400 40.800 -1.533 0.000 1.127 414 D HN 0.327 nan 8.370 nan 0.000 0.487 415 P HA -0.136 nan 4.420 nan 0.000 0.219 415 P C 1.276 178.317 177.300 -0.432 0.000 1.146 415 P CA 1.623 64.291 63.100 -0.719 0.000 0.808 415 P CB 0.148 31.471 31.700 -0.628 0.000 0.779 416 R N 0.201 120.527 120.500 -0.291 0.000 2.189 416 R HA -0.106 4.236 4.340 0.003 0.000 0.223 416 R C 1.629 177.838 176.300 -0.152 0.000 1.092 416 R CA 1.655 57.651 56.100 -0.173 0.000 0.989 416 R CB -2.054 28.184 30.300 -0.102 0.000 0.876 416 R HN 0.216 nan 8.270 nan 0.000 0.457 417 D N 0.120 120.416 120.400 -0.173 0.000 2.312 417 D HA -0.079 4.563 4.640 0.003 0.000 0.211 417 D C 1.572 177.775 176.300 -0.161 0.000 0.964 417 D CA 1.784 55.722 54.000 -0.104 0.000 0.877 417 D CB 0.484 41.324 40.800 0.067 0.000 0.924 417 D HN 0.460 nan 8.370 nan 0.000 0.515 418 V N -4.046 115.777 119.914 -0.152 0.000 3.319 418 V HA 0.547 4.668 4.120 0.003 0.000 0.317 418 V C 1.249 177.298 176.094 -0.075 0.000 1.411 418 V CA 0.268 62.505 62.300 -0.105 0.000 1.112 418 V CB 0.132 31.939 31.823 -0.027 0.000 1.031 418 V HN 0.120 nan 8.190 nan 0.000 0.448 419 G N 0.838 109.579 108.800 -0.099 0.000 2.147 419 G HA2 -0.213 3.748 3.960 0.003 0.000 0.244 419 G HA3 -0.213 3.748 3.960 0.003 0.000 0.244 419 G C 0.297 175.154 174.900 -0.072 0.000 1.005 419 G CA 0.453 45.511 45.100 -0.071 0.000 0.713 419 G HN 0.579 nan 8.290 nan 0.000 0.515 420 R N -0.299 120.118 120.500 -0.138 0.000 2.810 420 R HA 0.840 5.182 4.340 0.003 0.000 0.245 420 R C 0.459 176.669 176.300 -0.150 0.000 1.168 420 R CA 0.323 56.340 56.100 -0.138 0.000 1.096 420 R CB 0.908 31.068 30.300 -0.233 0.000 1.259 420 R HN 0.609 nan 8.270 nan 0.000 0.518 421 T N -2.262 112.249 114.554 -0.071 0.000 2.893 421 T HA 0.305 4.657 4.350 0.003 0.000 0.293 421 T C -0.701 174.057 174.700 0.097 0.000 1.027 421 T CA -0.723 61.375 62.100 -0.004 0.000 0.988 421 T CB 1.218 70.092 68.868 0.010 0.000 1.043 421 T HN 0.404 nan 8.240 nan 0.000 0.461 422 Y N 1.861 122.183 120.300 0.037 0.000 2.425 422 Y HA 0.446 4.998 4.550 0.002 0.000 0.331 422 Y C -0.141 175.797 175.900 0.064 0.000 1.157 422 Y CA -0.481 57.684 58.100 0.108 0.000 1.372 422 Y CB 0.483 39.029 38.460 0.144 0.000 1.253 422 Y HN 0.802 nan 8.280 nan 0.000 0.536 423 E N 4.384 124.178 120.200 -0.676 0.000 2.216 423 E HA 0.606 4.957 4.350 0.003 0.000 0.260 423 E C -1.247 174.789 176.600 -0.940 0.000 0.880 423 E CA -0.806 55.186 56.400 -0.680 0.000 0.765 423 E CB 1.468 30.979 29.700 -0.316 0.000 1.174 423 E HN 0.743 nan 8.360 nan 0.000 0.417 424 A N 3.185 125.500 122.820 -0.843 0.000 2.302 424 A HA 0.517 4.839 4.320 0.003 0.000 0.295 424 A C -0.146 177.237 177.584 -0.335 0.000 1.235 424 A CA -0.344 51.413 52.037 -0.466 0.000 0.876 424 A CB 0.240 19.121 19.000 -0.199 0.000 1.133 424 A HN 0.416 nan 8.150 nan 0.000 0.533 425 V N 0.000 119.683 119.914 -0.386 0.000 2.409 425 V HA 0.000 4.122 4.120 0.003 0.000 0.244 425 V CA 0.000 62.083 62.300 -0.362 0.000 1.235 425 V CB 0.000 31.399 31.823 -0.706 0.000 1.184 425 V HN 0.000 nan 8.190 nan 0.000 0.556