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 1wxw_1_A DATA FIRST_RESID 2 DATA SEQUENCE RIQVNAKGAA RLLSRHLWVF RRDVVSGPET PGLYPVYWGR RFLALALYNP DATA SEQUENCE HTDLAVRAYR FAPAEDPVAA LLENLAQALA RREAVLRQDP EGGYRLVHAE DATA SEQUENCE GDLLPGLVVD YYAGHAVVQA TAHAWEGLLP QVAEALRPHV QSVLAKNDAR DATA SEQUENCE TRELEGLPLY VRPLLGEVPE RVQVQEGRVR YLVDLRAXXX XXAYLDQREN DATA SEQUENCE RLYXERFRGE RALDVFSYAG GFALHLALGF REVVAVDSSA EALRRAEENA DATA SEQUENCE RLNGLGNVRV LEANAFDLLR RLEKEGERFD LVVLDPPAFA KGKKDVERAY DATA SEQUENCE RAYKEVNLRA IKLLKEGGIL ATASCSHHXT EPLFYAXVAE AAQDAHRLLR DATA SEQUENCE VVEKRGQPFD HPVLLNHPET HYLKFAVFQV L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.231 176.300 -0.115 0.000 0.893 2 R CA 0.000 56.108 56.100 0.014 0.000 0.921 2 R CB 0.000 30.365 30.300 0.109 0.000 0.687 3 I N 1.526 122.043 120.570 -0.089 0.000 2.392 3 I HA 0.323 4.493 4.170 -0.000 0.000 0.295 3 I C -0.325 175.770 176.117 -0.037 0.000 0.985 3 I CA -1.108 60.063 61.300 -0.214 0.000 1.221 3 I CB 1.761 39.537 38.000 -0.374 0.000 1.366 3 I HN 0.360 nan 8.210 nan 0.000 0.467 4 Q N 5.769 125.546 119.800 -0.039 0.000 2.331 4 Q HA 0.543 4.883 4.340 -0.000 0.000 0.267 4 Q C -0.646 175.391 176.000 0.062 0.000 1.006 4 Q CA -0.611 55.225 55.803 0.055 0.000 0.818 4 Q CB 2.916 31.681 28.738 0.044 0.000 1.276 4 Q HN 0.626 nan 8.270 nan 0.000 0.450 5 V N 0.230 120.218 119.914 0.123 0.000 2.960 5 V HA 0.669 4.789 4.120 -0.000 0.000 0.315 5 V C -0.115 176.092 176.094 0.188 0.000 1.087 5 V CA -1.041 61.322 62.300 0.106 0.000 0.982 5 V CB 1.933 33.782 31.823 0.044 0.000 1.039 5 V HN 0.828 nan 8.190 nan 0.000 0.437 6 N N 2.774 121.547 118.700 0.121 0.000 2.322 6 N HA 0.409 5.149 4.740 -0.000 0.000 0.270 6 N C 1.129 176.639 175.510 0.000 0.000 1.286 6 N CA 0.195 53.338 53.050 0.154 0.000 0.948 6 N CB 0.327 38.872 38.487 0.098 0.000 1.164 6 N HN 1.046 nan 8.380 nan 0.000 0.551 7 A N -0.289 122.565 122.820 0.056 0.000 1.940 7 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 7 A C 1.957 179.344 177.584 -0.329 0.000 1.176 7 A CA 1.510 53.401 52.037 -0.243 0.000 0.631 7 A CB -0.750 18.288 19.000 0.063 0.000 0.814 7 A HN 0.746 nan 8.150 nan 0.000 0.446 8 K N -0.946 119.367 120.400 -0.145 0.000 2.057 8 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 8 K C 2.162 178.684 176.600 -0.131 0.000 1.050 8 K CA 1.041 57.258 56.287 -0.117 0.000 0.935 8 K CB -0.416 32.055 32.500 -0.048 0.000 0.715 8 K HN 0.467 nan 8.250 nan 0.000 0.439 9 G N 1.135 109.868 108.800 -0.111 0.000 2.402 9 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 9 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 9 G C 1.625 176.433 174.900 -0.154 0.000 1.162 9 G CA 0.918 45.974 45.100 -0.072 0.000 0.777 9 G HN 0.343 nan 8.290 nan 0.000 0.539 10 A N 1.289 123.897 122.820 -0.353 0.000 1.902 10 A HA 0.215 4.535 4.320 -0.000 0.000 0.217 10 A C 2.837 180.198 177.584 -0.372 0.000 1.181 10 A CA 2.377 54.115 52.037 -0.497 0.000 0.623 10 A CB -0.888 17.319 19.000 -1.322 0.000 0.818 10 A HN 0.796 nan 8.150 nan 0.000 0.443 11 A N -0.062 122.534 122.820 -0.374 0.000 1.865 11 A HA -0.213 4.106 4.320 -0.000 0.000 0.217 11 A C 2.234 179.739 177.584 -0.131 0.000 1.191 11 A CA 1.726 53.620 52.037 -0.238 0.000 0.623 11 A CB -0.569 18.313 19.000 -0.196 0.000 0.826 11 A HN 0.566 nan 8.150 nan 0.000 0.444 12 R N -0.612 119.833 120.500 -0.092 0.000 2.096 12 R HA -0.122 4.218 4.340 -0.000 0.000 0.240 12 R C 2.034 178.359 176.300 0.041 0.000 1.139 12 R CA 1.709 57.795 56.100 -0.022 0.000 0.952 12 R CB -0.590 29.709 30.300 -0.002 0.000 0.854 12 R HN 0.526 nan 8.270 nan 0.000 0.436 13 L N 0.464 121.716 121.223 0.049 0.000 2.217 13 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 13 L C 2.250 179.131 176.870 0.018 0.000 1.107 13 L CA 0.689 55.629 54.840 0.167 0.000 0.783 13 L CB -0.248 41.919 42.059 0.180 0.000 0.919 13 L HN 0.198 nan 8.230 nan 0.000 0.442 14 L N -0.502 120.680 121.223 -0.069 0.000 2.072 14 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 14 L C 2.638 179.411 176.870 -0.161 0.000 1.079 14 L CA 1.429 56.198 54.840 -0.117 0.000 0.752 14 L CB -0.500 41.492 42.059 -0.112 0.000 0.906 14 L HN 0.345 nan 8.230 nan 0.000 0.436 15 S N -0.896 114.735 115.700 -0.115 0.000 2.603 15 S HA -0.079 4.391 4.470 -0.000 0.000 0.229 15 S C 0.930 175.451 174.600 -0.132 0.000 0.972 15 S CA 0.051 58.191 58.200 -0.101 0.000 0.935 15 S CB -0.076 63.093 63.200 -0.052 0.000 0.769 15 S HN 0.367 nan 8.310 nan 0.000 0.536 16 R N 0.204 120.564 120.500 -0.234 0.000 3.872 16 R HA -0.141 4.199 4.340 -0.000 0.000 0.341 16 R C -0.192 176.110 176.300 0.003 0.000 1.172 16 R CA 0.881 56.764 56.100 -0.363 0.000 0.901 16 R CB -3.010 27.044 30.300 -0.410 0.000 1.422 16 R HN 0.809 nan 8.270 nan 0.000 0.523 17 H N 0.725 119.806 119.070 0.018 0.000 2.562 17 H HA 0.198 4.754 4.556 -0.000 0.000 0.352 17 H C 1.232 176.697 175.328 0.228 0.000 1.125 17 H CA 0.426 56.491 56.048 0.029 0.000 1.379 17 H CB 0.694 30.397 29.762 -0.099 0.000 1.464 17 H HN 0.124 nan 8.280 nan 0.000 0.563 18 L N 2.468 123.864 121.223 0.287 0.000 2.509 18 L HA 0.035 4.375 4.340 -0.000 0.000 0.222 18 L C 0.099 177.314 176.870 0.576 0.000 1.123 18 L CA -0.027 55.051 54.840 0.396 0.000 0.856 18 L CB 0.013 42.222 42.059 0.251 0.000 0.985 18 L HN 0.322 nan 8.230 nan 0.000 0.456 19 W N 0.432 122.071 121.300 0.566 0.000 2.520 19 W HA 0.573 5.233 4.660 -0.000 0.000 0.323 19 W C -0.610 175.944 176.519 0.058 0.000 1.062 19 W CA -1.282 56.185 57.345 0.203 0.000 1.215 19 W CB 1.105 30.644 29.460 0.132 0.000 1.340 19 W HN -0.475 nan 8.180 nan 0.000 0.516 20 V N 4.469 124.471 119.914 0.145 0.000 2.525 20 V HA 0.383 4.503 4.120 -0.000 0.000 0.299 20 V C -0.358 175.733 176.094 -0.006 0.000 1.034 20 V CA -1.008 61.373 62.300 0.135 0.000 0.863 20 V CB 0.855 32.740 31.823 0.104 0.000 0.999 20 V HN 0.294 nan 8.190 nan 0.000 0.423 21 F N 2.424 122.414 119.950 0.065 0.000 2.380 21 F HA 0.509 5.036 4.527 -0.000 0.000 0.319 21 F C 1.655 177.479 175.800 0.041 0.000 1.113 21 F CA -0.539 57.482 58.000 0.036 0.000 1.056 21 F CB 0.627 39.637 39.000 0.016 0.000 1.289 21 F HN 0.424 nan 8.300 nan 0.000 0.515 22 R N 1.456 122.092 120.500 0.226 0.000 2.162 22 R HA -0.257 4.083 4.340 -0.000 0.000 0.245 22 R C 2.173 178.548 176.300 0.125 0.000 1.129 22 R CA 2.536 58.722 56.100 0.144 0.000 0.940 22 R CB -0.526 29.845 30.300 0.119 0.000 0.875 22 R HN 0.703 nan 8.270 nan 0.000 0.437 23 R N -0.645 119.929 120.500 0.122 0.000 2.261 23 R HA -0.100 4.240 4.340 -0.000 0.000 0.236 23 R C 0.332 176.678 176.300 0.078 0.000 1.141 23 R CA 1.826 57.975 56.100 0.082 0.000 1.001 23 R CB -0.246 30.087 30.300 0.054 0.000 0.866 23 R HN 0.283 nan 8.270 nan 0.000 0.468 24 D N 0.605 121.065 120.400 0.099 0.000 2.398 24 D HA 0.113 4.753 4.640 -0.000 0.000 0.210 24 D C -0.324 176.020 176.300 0.074 0.000 1.094 24 D CA 0.046 54.093 54.000 0.077 0.000 0.839 24 D CB 0.833 41.679 40.800 0.076 0.000 0.963 24 D HN -0.009 nan 8.370 nan 0.000 0.506 25 V N 1.705 121.667 119.914 0.082 0.000 2.406 25 V HA 0.074 4.194 4.120 -0.000 0.000 0.272 25 V C 1.554 177.683 176.094 0.059 0.000 1.043 25 V CA -0.285 62.056 62.300 0.068 0.000 0.915 25 V CB 2.032 33.909 31.823 0.090 0.000 0.988 25 V HN -0.144 nan 8.190 nan 0.000 0.466 26 V N 3.714 123.658 119.914 0.050 0.000 2.446 26 V HA 0.050 4.170 4.120 -0.000 0.000 0.244 26 V C 0.875 176.985 176.094 0.026 0.000 1.039 26 V CA 1.665 63.993 62.300 0.046 0.000 1.045 26 V CB 0.498 32.356 31.823 0.058 0.000 0.681 26 V HN 1.028 nan 8.190 nan 0.000 0.459 27 S N -2.156 113.546 115.700 0.003 0.000 2.578 27 S HA 0.742 5.212 4.470 -0.000 0.000 0.272 27 S C -0.608 173.940 174.600 -0.086 0.000 1.145 27 S CA -0.093 58.096 58.200 -0.019 0.000 0.835 27 S CB 1.799 64.985 63.200 -0.022 0.000 1.104 27 S HN 0.844 nan 8.310 nan 0.000 0.458 28 G N 0.267 109.009 108.800 -0.096 0.000 2.356 28 G HA2 0.626 4.586 3.960 -0.000 0.000 0.294 28 G HA3 0.626 4.586 3.960 -0.000 0.000 0.294 28 G C -3.526 171.299 174.900 -0.126 0.000 1.423 28 G CA -0.766 44.191 45.100 -0.238 0.000 0.806 28 G HN 0.709 nan 8.290 nan 0.000 0.527 29 P HA 0.153 nan 4.420 nan 0.000 0.270 29 P C 0.439 177.737 177.300 -0.002 0.000 1.216 29 P CA 0.119 63.103 63.100 -0.193 0.000 0.788 29 P CB 0.622 31.962 31.700 -0.600 0.000 0.883 30 E N -0.930 119.253 120.200 -0.028 0.000 2.474 30 E HA 0.035 4.385 4.350 -0.000 0.000 0.195 30 E C 0.164 176.723 176.600 -0.069 0.000 1.039 30 E CA 0.410 56.795 56.400 -0.026 0.000 0.881 30 E CB 0.148 29.854 29.700 0.010 0.000 0.970 30 E HN 0.555 nan 8.360 nan 0.000 0.486 31 T N -0.679 113.852 114.554 -0.038 0.000 2.863 31 T HA 0.453 4.803 4.350 -0.000 0.000 0.285 31 T C -2.873 171.831 174.700 0.006 0.000 1.009 31 T CA -2.597 59.484 62.100 -0.031 0.000 0.989 31 T CB 2.231 71.139 68.868 0.068 0.000 1.004 31 T HN -0.316 nan 8.240 nan 0.000 0.455 32 P HA 0.569 nan 4.420 nan 0.000 0.271 32 P C 0.539 177.926 177.300 0.145 0.000 1.233 32 P CA 0.573 63.607 63.100 -0.109 0.000 0.789 32 P CB 0.420 31.895 31.700 -0.375 0.000 0.951 33 G N -0.354 108.535 108.800 0.149 0.000 2.351 33 G HA2 0.231 4.191 3.960 -0.000 0.000 0.279 33 G HA3 0.231 4.191 3.960 -0.000 0.000 0.279 33 G C -2.055 172.695 174.900 -0.251 0.000 1.297 33 G CA -0.835 44.206 45.100 -0.100 0.000 0.886 33 G HN 0.422 nan 8.290 nan 0.000 0.493 34 L N 0.699 121.579 121.223 -0.572 0.000 2.287 34 L HA 0.722 5.062 4.340 -0.000 0.000 0.287 34 L C -1.042 175.477 176.870 -0.585 0.000 1.022 34 L CA -0.658 53.968 54.840 -0.357 0.000 0.814 34 L CB 1.140 43.070 42.059 -0.215 0.000 1.217 34 L HN 0.563 nan 8.230 nan 0.000 0.420 35 Y N 2.501 122.855 120.300 0.089 0.000 2.588 35 Y HA 0.487 5.037 4.550 -0.000 0.000 0.343 35 Y C -2.488 173.421 175.900 0.014 0.000 1.065 35 Y CA -2.629 55.501 58.100 0.050 0.000 1.038 35 Y CB 1.686 40.148 38.460 0.003 0.000 1.297 35 Y HN 0.397 nan 8.280 nan 0.000 0.467 36 P HA 0.267 nan 4.420 nan 0.000 0.278 36 P C -1.155 176.121 177.300 -0.040 0.000 1.238 36 P CA -0.304 62.852 63.100 0.092 0.000 0.794 36 P CB 0.953 32.857 31.700 0.341 0.000 0.955 37 V N 3.749 123.444 119.914 -0.364 0.000 2.435 37 V HA 0.382 4.502 4.120 -0.000 0.000 0.290 37 V C -0.637 175.178 176.094 -0.466 0.000 1.030 37 V CA -0.313 61.812 62.300 -0.293 0.000 0.881 37 V CB 0.630 32.290 31.823 -0.273 0.000 0.983 37 V HN 0.443 nan 8.190 nan 0.000 0.445 38 Y N 2.183 122.428 120.300 -0.091 0.000 2.499 38 Y HA 0.510 5.059 4.550 -0.000 0.000 0.347 38 Y C -0.765 175.214 175.900 0.132 0.000 0.987 38 Y CA -0.578 57.526 58.100 0.007 0.000 1.044 38 Y CB 2.209 40.683 38.460 0.023 0.000 1.245 38 Y HN 0.739 nan 8.280 nan 0.000 0.461 39 W N 4.475 125.841 121.300 0.110 0.000 2.363 39 W HA 0.548 5.208 4.660 -0.000 0.000 0.314 39 W C 0.310 176.892 176.519 0.105 0.000 0.994 39 W CA -0.459 56.928 57.345 0.071 0.000 1.449 39 W CB 0.412 29.893 29.460 0.034 0.000 1.248 39 W HN 0.861 nan 8.180 nan 0.000 0.409 40 G N 5.025 113.818 108.800 -0.011 0.000 2.565 40 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.295 40 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.295 40 G C 0.984 175.878 174.900 -0.009 0.000 1.165 40 G CA 0.815 45.829 45.100 -0.143 0.000 0.977 40 G HN 0.701 nan 8.290 nan 0.000 0.546 41 R N 0.487 120.970 120.500 -0.028 0.000 2.312 41 R HA 0.349 4.689 4.340 -0.000 0.000 0.205 41 R C 1.438 177.900 176.300 0.270 0.000 0.904 41 R CA 0.221 56.352 56.100 0.052 0.000 1.052 41 R CB 0.299 30.590 30.300 -0.014 0.000 1.014 41 R HN 0.425 nan 8.270 nan 0.000 0.503 42 R N 1.755 122.403 120.500 0.246 0.000 2.298 42 R HA 0.089 4.429 4.340 -0.000 0.000 0.310 42 R C -0.958 175.526 176.300 0.306 0.000 1.068 42 R CA -0.462 55.812 56.100 0.291 0.000 0.957 42 R CB 0.367 30.802 30.300 0.225 0.000 1.003 42 R HN 0.043 nan 8.270 nan 0.000 0.454 43 F N 5.473 125.437 119.950 0.023 0.000 2.443 43 F HA 0.125 4.652 4.527 -0.000 0.000 0.353 43 F C 0.091 175.782 175.800 -0.182 0.000 1.101 43 F CA -0.006 57.727 58.000 -0.445 0.000 1.226 43 F CB 0.652 39.461 39.000 -0.318 0.000 1.140 43 F HN 0.522 nan 8.300 nan 0.000 0.557 44 L N 4.558 125.201 121.223 -0.966 0.000 2.586 44 L HA 0.568 4.908 4.340 -0.000 0.000 0.204 44 L C 0.400 176.854 176.870 -0.693 0.000 1.053 44 L CA 0.308 54.851 54.840 -0.495 0.000 0.856 44 L CB -0.092 41.819 42.059 -0.245 0.000 1.192 44 L HN 0.749 nan 8.230 nan 0.000 0.484 45 A N -0.424 121.621 122.820 -1.292 0.000 2.515 45 A HA 0.606 4.926 4.320 -0.000 0.000 0.292 45 A C -1.844 175.338 177.584 -0.670 0.000 1.065 45 A CA -0.560 50.975 52.037 -0.835 0.000 0.641 45 A CB 0.768 19.379 19.000 -0.648 0.000 1.306 45 A HN -0.021 nan 8.150 nan 0.000 0.441 46 L N 0.184 121.145 121.223 -0.435 0.000 2.334 46 L HA 0.818 5.158 4.340 -0.000 0.000 0.275 46 L C 0.424 177.044 176.870 -0.418 0.000 1.036 46 L CA -0.285 54.333 54.840 -0.369 0.000 0.807 46 L CB 1.656 43.405 42.059 -0.518 0.000 1.231 46 L HN 1.176 nan 8.230 nan 0.000 0.438 47 A N 2.692 125.502 122.820 -0.017 0.000 2.610 47 A HA 0.618 4.938 4.320 -0.000 0.000 0.291 47 A C -1.361 176.400 177.584 0.296 0.000 1.086 47 A CA -0.656 51.514 52.037 0.222 0.000 0.677 47 A CB 1.405 20.447 19.000 0.069 0.000 1.278 47 A HN 0.484 nan 8.150 nan 0.000 0.414 48 L N 1.468 122.823 121.223 0.220 0.000 2.331 48 L HA 0.373 4.713 4.340 -0.000 0.000 0.278 48 L C -0.676 176.315 176.870 0.201 0.000 1.106 48 L CA 0.018 54.908 54.840 0.083 0.000 0.824 48 L CB 0.660 42.708 42.059 -0.019 0.000 1.142 48 L HN 0.818 nan 8.230 nan 0.000 0.443 49 Y N 4.298 124.634 120.300 0.061 0.000 2.499 49 Y HA 0.466 5.016 4.550 -0.000 0.000 0.347 49 Y C -0.591 175.317 175.900 0.013 0.000 0.987 49 Y CA -1.232 56.910 58.100 0.070 0.000 1.044 49 Y CB 1.815 40.393 38.460 0.197 0.000 1.245 49 Y HN 0.570 nan 8.280 nan 0.000 0.461 50 N N 6.216 124.443 118.700 -0.789 0.000 2.519 50 N HA 0.329 5.069 4.740 -0.000 0.000 0.291 50 N C -2.790 172.113 175.510 -1.011 0.000 1.107 50 N CA -1.891 50.717 53.050 -0.737 0.000 0.904 50 N CB 2.800 41.082 38.487 -0.342 0.000 1.500 50 N HN 0.332 nan 8.380 nan 0.000 0.510 51 P HA 0.108 nan 4.420 nan 0.000 0.237 51 P C -0.181 176.853 177.300 -0.443 0.000 1.178 51 P CA 1.004 63.658 63.100 -0.743 0.000 0.766 51 P CB 0.112 31.420 31.700 -0.654 0.000 0.876 52 H N -1.880 117.059 119.070 -0.219 0.000 2.528 52 H HA 0.241 4.797 4.556 -0.000 0.000 0.282 52 H C 0.172 175.441 175.328 -0.098 0.000 1.097 52 H CA -0.244 55.728 56.048 -0.127 0.000 1.121 52 H CB 0.230 29.924 29.762 -0.114 0.000 1.590 52 H HN 0.048 nan 8.280 nan 0.000 0.553 53 T N -3.042 111.484 114.554 -0.047 0.000 2.907 53 T HA 0.083 4.433 4.350 -0.000 0.000 0.292 53 T C 0.588 175.273 174.700 -0.025 0.000 1.043 53 T CA -0.880 61.197 62.100 -0.039 0.000 1.003 53 T CB 2.586 71.401 68.868 -0.088 0.000 1.084 53 T HN -0.032 nan 8.240 nan 0.000 0.483 54 D N 0.276 120.686 120.400 0.017 0.000 2.104 54 D HA -0.119 4.521 4.640 -0.000 0.000 0.194 54 D C 0.807 177.153 176.300 0.078 0.000 0.994 54 D CA 0.865 54.924 54.000 0.099 0.000 0.830 54 D CB -0.120 40.766 40.800 0.144 0.000 0.959 54 D HN 0.426 nan 8.370 nan 0.000 0.452 55 L N 0.688 121.839 121.223 -0.120 0.000 2.356 55 L HA 0.468 4.808 4.340 -0.000 0.000 0.282 55 L C 0.817 177.484 176.870 -0.339 0.000 1.132 55 L CA -0.111 54.409 54.840 -0.534 0.000 0.923 55 L CB 0.198 41.811 42.059 -0.743 0.000 1.278 55 L HN 0.051 nan 8.230 nan 0.000 0.436 56 A N 3.984 126.680 122.820 -0.207 0.000 1.984 56 A HA 0.269 4.589 4.320 -0.000 0.000 0.214 56 A C 0.594 178.227 177.584 0.082 0.000 1.173 56 A CA 0.579 52.581 52.037 -0.058 0.000 0.673 56 A CB 0.156 19.218 19.000 0.103 0.000 0.830 56 A HN 0.407 nan 8.150 nan 0.000 0.453 57 V N 0.751 120.679 119.914 0.022 0.000 2.448 57 V HA 0.447 4.567 4.120 -0.000 0.000 0.295 57 V C -0.540 175.606 176.094 0.087 0.000 1.025 57 V CA -0.662 61.701 62.300 0.105 0.000 0.859 57 V CB 1.361 33.239 31.823 0.092 0.000 0.988 57 V HN 0.398 nan 8.190 nan 0.000 0.431 58 R N 3.283 123.870 120.500 0.144 0.000 2.472 58 R HA 0.666 5.005 4.340 -0.000 0.000 0.294 58 R C -0.206 176.228 176.300 0.224 0.000 1.243 58 R CA -0.391 55.858 56.100 0.248 0.000 1.023 58 R CB 1.947 32.369 30.300 0.203 0.000 1.157 58 R HN 0.817 nan 8.270 nan 0.000 0.530 59 A N 2.096 125.012 122.820 0.161 0.000 2.407 59 A HA 0.206 4.526 4.320 -0.000 0.000 0.248 59 A C 0.062 177.661 177.584 0.025 0.000 1.082 59 A CA -0.045 51.961 52.037 -0.051 0.000 0.785 59 A CB -0.042 18.756 19.000 -0.338 0.000 1.020 59 A HN 0.938 nan 8.150 nan 0.000 0.489 60 Y N -0.792 119.383 120.300 -0.208 0.000 2.666 60 Y HA 0.577 5.127 4.550 -0.000 0.000 0.260 60 Y C 0.038 175.855 175.900 -0.139 0.000 1.089 60 Y CA -0.752 57.280 58.100 -0.112 0.000 1.246 60 Y CB 0.585 39.033 38.460 -0.021 0.000 1.353 60 Y HN 0.431 nan 8.280 nan 0.000 0.558 61 R N 0.728 120.825 120.500 -0.672 0.000 2.536 61 R HA 0.283 4.623 4.340 -0.000 0.000 0.269 61 R C -1.896 174.092 176.300 -0.520 0.000 1.113 61 R CA -0.908 54.914 56.100 -0.463 0.000 0.948 61 R CB 0.579 30.616 30.300 -0.439 0.000 1.237 61 R HN 0.301 nan 8.270 nan 0.000 0.441 62 F N 0.792 120.744 119.950 0.003 0.000 2.837 62 F HA 0.540 5.067 4.527 -0.000 0.000 0.298 62 F C 0.442 176.365 175.800 0.204 0.000 1.161 62 F CA -0.237 57.807 58.000 0.072 0.000 1.353 62 F CB 1.234 40.256 39.000 0.037 0.000 0.951 62 F HN 0.475 nan 8.300 nan 0.000 0.508 63 A N 0.207 123.202 122.820 0.292 0.000 2.465 63 A HA 0.663 4.983 4.320 -0.000 0.000 0.292 63 A C -2.811 174.709 177.584 -0.106 0.000 1.041 63 A CA -1.681 50.420 52.037 0.107 0.000 0.718 63 A CB 0.910 19.936 19.000 0.043 0.000 1.266 63 A HN -0.045 nan 8.150 nan 0.000 0.403 64 P HA 0.375 nan 4.420 nan 0.000 0.269 64 P C -0.243 176.907 177.300 -0.250 0.000 1.211 64 P CA 0.457 63.132 63.100 -0.708 0.000 0.781 64 P CB 0.706 31.818 31.700 -0.980 0.000 0.877 65 A N 0.886 123.628 122.820 -0.130 0.000 2.547 65 A HA 0.360 4.680 4.320 -0.000 0.000 0.298 65 A C -0.772 176.800 177.584 -0.020 0.000 1.062 65 A CA -0.790 51.211 52.037 -0.061 0.000 0.748 65 A CB 0.653 19.633 19.000 -0.032 0.000 1.288 65 A HN 0.607 nan 8.150 nan 0.000 0.396 66 E N 2.505 122.696 120.200 -0.016 0.000 2.414 66 E HA 0.364 4.714 4.350 -0.000 0.000 0.263 66 E C -0.459 176.148 176.600 0.012 0.000 1.000 66 E CA 0.157 56.558 56.400 0.002 0.000 0.914 66 E CB 0.570 30.270 29.700 -0.001 0.000 0.948 66 E HN 0.591 nan 8.360 nan 0.000 0.444 67 D N 3.317 123.728 120.400 0.018 0.000 4.465 67 D HA -0.092 4.548 4.640 -0.000 0.000 0.244 67 D C -1.964 174.353 176.300 0.030 0.000 1.062 67 D CA -0.058 53.952 54.000 0.017 0.000 1.227 67 D CB 0.005 40.813 40.800 0.014 0.000 0.829 67 D HN 0.384 nan 8.370 nan 0.000 0.402 68 P HA -0.035 nan 4.420 nan 0.000 0.222 68 P C 1.768 179.118 177.300 0.084 0.000 1.153 68 P CA 0.211 63.361 63.100 0.084 0.000 0.798 68 P CB 0.359 32.102 31.700 0.071 0.000 0.796 69 V N 0.278 120.190 119.914 -0.004 0.000 2.358 69 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 69 V C 2.424 178.509 176.094 -0.015 0.000 1.047 69 V CA 2.182 64.447 62.300 -0.058 0.000 1.035 69 V CB -1.628 30.152 31.823 -0.071 0.000 0.658 69 V HN 0.098 nan 8.190 nan 0.000 0.452 70 A N 0.116 122.946 122.820 0.017 0.000 1.902 70 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 70 A C 2.434 180.057 177.584 0.064 0.000 1.181 70 A CA 2.133 54.190 52.037 0.034 0.000 0.623 70 A CB -0.794 18.223 19.000 0.029 0.000 0.818 70 A HN 0.562 nan 8.150 nan 0.000 0.443 71 A N -0.569 122.309 122.820 0.097 0.000 1.902 71 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 71 A C 2.121 179.839 177.584 0.225 0.000 1.181 71 A CA 1.738 53.865 52.037 0.150 0.000 0.623 71 A CB -0.628 18.463 19.000 0.152 0.000 0.818 71 A HN 0.695 nan 8.150 nan 0.000 0.443 72 L N -0.158 121.196 121.223 0.219 0.000 2.046 72 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 72 L C 2.181 179.096 176.870 0.074 0.000 1.077 72 L CA 1.708 56.549 54.840 0.001 0.000 0.747 72 L CB -0.530 41.234 42.059 -0.491 0.000 0.896 72 L HN 0.403 nan 8.230 nan 0.000 0.432 73 L N -0.998 120.266 121.223 0.068 0.000 2.217 73 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 73 L C 2.417 179.348 176.870 0.102 0.000 1.107 73 L CA 0.874 55.777 54.840 0.105 0.000 0.783 73 L CB -0.580 41.523 42.059 0.073 0.000 0.919 73 L HN 0.339 nan 8.230 nan 0.000 0.442 74 E N 0.285 120.543 120.200 0.098 0.000 2.031 74 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 74 E C 1.877 178.534 176.600 0.096 0.000 0.994 74 E CA 1.276 57.728 56.400 0.087 0.000 0.800 74 E CB -0.127 29.624 29.700 0.085 0.000 0.752 74 E HN 0.456 nan 8.360 nan 0.000 0.447 75 N N 1.023 119.800 118.700 0.128 0.000 2.094 75 N HA -0.187 4.552 4.740 -0.000 0.000 0.191 75 N C 1.744 177.318 175.510 0.105 0.000 1.023 75 N CA 0.744 53.874 53.050 0.133 0.000 0.857 75 N CB -0.398 38.204 38.487 0.192 0.000 1.013 75 N HN 0.086 nan 8.380 nan 0.000 0.426 76 L N 0.763 122.058 121.223 0.120 0.000 2.017 76 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 76 L C 2.019 178.915 176.870 0.043 0.000 1.073 76 L CA 1.761 56.651 54.840 0.082 0.000 0.745 76 L CB -1.238 40.893 42.059 0.121 0.000 0.894 76 L HN 0.157 nan 8.230 nan 0.000 0.432 77 A N -0.818 122.036 122.820 0.057 0.000 1.873 77 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 77 A C 2.173 179.773 177.584 0.026 0.000 1.193 77 A CA 2.135 54.198 52.037 0.043 0.000 0.629 77 A CB -0.773 18.259 19.000 0.052 0.000 0.826 77 A HN 0.697 nan 8.150 nan 0.000 0.447 78 Q N -0.780 119.042 119.800 0.036 0.000 2.135 78 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 78 Q C 2.419 178.427 176.000 0.013 0.000 0.981 78 Q CA 1.329 57.149 55.803 0.029 0.000 0.856 78 Q CB -0.419 28.345 28.738 0.044 0.000 0.902 78 Q HN 0.712 nan 8.270 nan 0.000 0.425 79 A N 1.107 123.932 122.820 0.008 0.000 1.877 79 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 79 A C 2.084 179.634 177.584 -0.056 0.000 1.186 79 A CA 1.068 53.096 52.037 -0.016 0.000 0.620 79 A CB -0.680 18.307 19.000 -0.022 0.000 0.822 79 A HN 0.276 nan 8.150 nan 0.000 0.443 80 L N -0.814 120.363 121.223 -0.077 0.000 2.083 80 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 80 L C 3.115 179.902 176.870 -0.138 0.000 1.083 80 L CA 0.996 55.742 54.840 -0.156 0.000 0.752 80 L CB -0.681 41.263 42.059 -0.192 0.000 0.899 80 L HN 0.469 nan 8.230 nan 0.000 0.433 81 A N 0.214 122.997 122.820 -0.063 0.000 1.908 81 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 81 A C 2.327 179.892 177.584 -0.032 0.000 1.181 81 A CA 1.437 53.455 52.037 -0.032 0.000 0.627 81 A CB -0.514 18.485 19.000 -0.001 0.000 0.818 81 A HN 0.326 nan 8.150 nan 0.000 0.445 82 R N -1.133 119.357 120.500 -0.016 0.000 2.241 82 R HA -0.040 4.299 4.340 -0.000 0.000 0.224 82 R C 1.470 177.795 176.300 0.041 0.000 1.101 82 R CA 1.243 57.355 56.100 0.019 0.000 0.995 82 R CB -0.147 30.183 30.300 0.049 0.000 0.870 82 R HN 0.427 nan 8.270 nan 0.000 0.463 83 R N -0.476 120.009 120.500 -0.026 0.000 2.472 83 R HA 0.018 4.358 4.340 -0.000 0.000 0.279 83 R C 1.377 177.582 176.300 -0.159 0.000 0.953 83 R CA -0.085 55.982 56.100 -0.054 0.000 1.088 83 R CB 0.443 30.663 30.300 -0.134 0.000 1.197 83 R HN 0.010 nan 8.270 nan 0.000 0.536 84 E N 1.375 121.500 120.200 -0.124 0.000 2.051 84 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 84 E C 1.753 178.285 176.600 -0.115 0.000 0.991 84 E CA 1.821 58.159 56.400 -0.103 0.000 0.799 84 E CB -0.071 29.609 29.700 -0.033 0.000 0.748 84 E HN 0.290 nan 8.360 nan 0.000 0.449 85 A N 0.468 123.218 122.820 -0.116 0.000 1.869 85 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 85 A C 2.553 180.032 177.584 -0.176 0.000 1.203 85 A CA 3.039 54.997 52.037 -0.131 0.000 0.638 85 A CB -1.485 17.427 19.000 -0.147 0.000 0.831 85 A HN 0.425 nan 8.150 nan 0.000 0.450 86 V N -1.992 117.769 119.914 -0.255 0.000 2.427 86 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 86 V C 2.270 178.127 176.094 -0.396 0.000 1.051 86 V CA 1.970 64.049 62.300 -0.369 0.000 1.048 86 V CB -1.019 30.447 31.823 -0.595 0.000 0.666 86 V HN 0.460 nan 8.190 nan 0.000 0.456 87 L N -0.395 120.590 121.223 -0.397 0.000 2.275 87 L HA -0.060 4.280 4.340 -0.000 0.000 0.215 87 L C 3.005 179.780 176.870 -0.158 0.000 1.119 87 L CA 1.540 56.155 54.840 -0.375 0.000 0.790 87 L CB -0.503 41.301 42.059 -0.425 0.000 0.919 87 L HN 0.319 nan 8.230 nan 0.000 0.443 88 R N -0.359 120.070 120.500 -0.117 0.000 2.052 88 R HA -0.090 4.250 4.340 -0.000 0.000 0.226 88 R C 2.305 178.581 176.300 -0.040 0.000 1.145 88 R CA 1.086 57.154 56.100 -0.053 0.000 0.952 88 R CB -0.341 29.930 30.300 -0.049 0.000 0.847 88 R HN 0.373 nan 8.270 nan 0.000 0.431 89 Q N 0.248 120.013 119.800 -0.058 0.000 2.084 89 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 89 Q C 0.273 176.277 176.000 0.007 0.000 0.978 89 Q CA 1.021 56.806 55.803 -0.029 0.000 0.844 89 Q CB 0.045 28.757 28.738 -0.043 0.000 0.898 89 Q HN 0.133 nan 8.270 nan 0.000 0.426 90 D N -0.725 119.680 120.400 0.009 0.000 2.634 90 D HA 0.172 4.812 4.640 -0.000 0.000 0.318 90 D C -2.141 174.248 176.300 0.148 0.000 1.226 90 D CA -2.290 51.774 54.000 0.106 0.000 0.899 90 D CB 0.925 41.854 40.800 0.215 0.000 1.025 90 D HN -0.142 nan 8.370 nan 0.000 0.501 91 P HA -0.101 nan 4.420 nan 0.000 0.218 91 P C 0.552 178.031 177.300 0.298 0.000 1.146 91 P CA 1.038 64.252 63.100 0.190 0.000 0.813 91 P CB 0.327 32.099 31.700 0.120 0.000 0.778 92 E N -1.052 119.280 120.200 0.219 0.000 2.474 92 E HA 0.154 4.504 4.350 -0.000 0.000 0.195 92 E C 1.274 178.001 176.600 0.211 0.000 1.039 92 E CA -0.286 56.220 56.400 0.176 0.000 0.881 92 E CB 0.068 29.822 29.700 0.090 0.000 0.970 92 E HN 0.199 nan 8.360 nan 0.000 0.486 93 G N 0.597 109.606 108.800 0.348 0.000 2.535 93 G HA2 0.412 4.372 3.960 -0.000 0.000 0.282 93 G HA3 0.412 4.372 3.960 -0.000 0.000 0.282 93 G C -0.071 175.003 174.900 0.289 0.000 1.350 93 G CA -0.184 45.093 45.100 0.295 0.000 1.039 93 G HN 0.134 nan 8.290 nan 0.000 0.509 94 G N -1.242 107.527 108.800 -0.052 0.000 2.557 94 G HA2 0.599 4.559 3.960 -0.000 0.000 0.310 94 G HA3 0.599 4.559 3.960 -0.000 0.000 0.310 94 G C -1.685 172.987 174.900 -0.379 0.000 1.328 94 G CA -0.324 44.792 45.100 0.026 0.000 0.945 94 G HN 0.393 nan 8.290 nan 0.000 0.494 95 Y N 0.076 120.430 120.300 0.089 0.000 2.562 95 Y HA 0.560 5.110 4.550 -0.000 0.000 0.345 95 Y C 0.214 176.019 175.900 -0.159 0.000 1.045 95 Y CA -1.189 56.883 58.100 -0.047 0.000 1.028 95 Y CB 2.269 40.672 38.460 -0.094 0.000 1.297 95 Y HN 0.620 nan 8.280 nan 0.000 0.463 96 R N 1.974 122.392 120.500 -0.136 0.000 2.297 96 R HA 0.474 4.814 4.340 -0.000 0.000 0.308 96 R C -0.464 175.694 176.300 -0.237 0.000 1.029 96 R CA -0.115 55.820 56.100 -0.274 0.000 0.929 96 R CB 0.434 30.367 30.300 -0.610 0.000 1.046 96 R HN 0.942 nan 8.270 nan 0.000 0.461 97 L N 3.399 124.519 121.223 -0.172 0.000 2.408 97 L HA 0.249 4.589 4.340 -0.000 0.000 0.215 97 L C -0.198 176.581 176.870 -0.150 0.000 1.081 97 L CA 0.075 54.816 54.840 -0.164 0.000 0.840 97 L CB 0.649 42.624 42.059 -0.140 0.000 1.002 97 L HN 0.340 nan 8.230 nan 0.000 0.468 98 V N -0.933 118.896 119.914 -0.142 0.000 2.569 98 V HA 0.198 4.318 4.120 -0.000 0.000 0.301 98 V C -1.155 174.899 176.094 -0.068 0.000 1.044 98 V CA -0.554 61.676 62.300 -0.117 0.000 0.874 98 V CB 1.689 33.409 31.823 -0.172 0.000 1.002 98 V HN 0.116 nan 8.190 nan 0.000 0.424 99 H N 4.354 123.338 119.070 -0.144 0.000 2.412 99 H HA 0.714 5.270 4.556 -0.000 0.000 0.239 99 H C 0.686 175.988 175.328 -0.045 0.000 1.388 99 H CA 0.560 56.547 56.048 -0.102 0.000 1.148 99 H CB 0.235 29.933 29.762 -0.105 0.000 1.637 99 H HN 1.059 nan 8.280 nan 0.000 0.542 100 A N 0.812 123.529 122.820 -0.172 0.000 5.481 100 A HA -0.408 3.912 4.320 -0.000 0.000 0.318 100 A C 2.145 179.689 177.584 -0.067 0.000 1.837 100 A CA 1.655 53.612 52.037 -0.133 0.000 0.717 100 A CB -1.150 17.746 19.000 -0.174 0.000 1.349 100 A HN 0.629 nan 8.150 nan 0.000 0.388 101 E N 0.034 120.184 120.200 -0.084 0.000 2.086 101 E HA -0.212 4.138 4.350 -0.000 0.000 0.200 101 E C 2.098 178.637 176.600 -0.102 0.000 1.012 101 E CA 1.900 58.224 56.400 -0.127 0.000 0.812 101 E CB -1.239 28.213 29.700 -0.412 0.000 0.743 101 E HN 1.250 nan 8.360 nan 0.000 0.453 102 G N 1.722 110.482 108.800 -0.066 0.000 2.475 102 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 102 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 102 G C 1.035 175.969 174.900 0.057 0.000 1.125 102 G CA 1.011 46.139 45.100 0.048 0.000 0.755 102 G HN 0.173 nan 8.290 nan 0.000 0.565 103 D N 0.037 120.467 120.400 0.050 0.000 2.424 103 D HA 0.232 4.872 4.640 -0.000 0.000 0.220 103 D C 1.045 177.388 176.300 0.071 0.000 1.150 103 D CA -0.302 53.728 54.000 0.050 0.000 0.831 103 D CB 0.234 41.052 40.800 0.029 0.000 0.981 103 D HN 0.215 nan 8.370 nan 0.000 0.500 104 L N 0.342 121.611 121.223 0.077 0.000 3.717 104 L HA -0.237 4.103 4.340 -0.000 0.000 0.414 104 L C -0.363 176.612 176.870 0.175 0.000 1.228 104 L CA 0.396 55.313 54.840 0.129 0.000 0.918 104 L CB -1.262 40.885 42.059 0.147 0.000 1.865 104 L HN 0.196 nan 8.230 nan 0.000 0.922 105 L N -0.541 120.767 121.223 0.142 0.000 2.551 105 L HA 0.375 4.715 4.340 -0.000 0.000 0.248 105 L C -2.175 174.822 176.870 0.211 0.000 1.509 105 L CA -1.529 53.436 54.840 0.209 0.000 0.842 105 L CB 0.904 43.035 42.059 0.120 0.000 1.087 105 L HN -0.138 nan 8.230 nan 0.000 0.512 106 P HA 0.025 nan 4.420 nan 0.000 0.263 106 P C 1.087 178.574 177.300 0.311 0.000 1.175 106 P CA 1.013 64.253 63.100 0.233 0.000 0.761 106 P CB 0.728 32.576 31.700 0.248 0.000 0.794 107 G N 1.061 109.965 108.800 0.172 0.000 2.168 107 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.263 107 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.263 107 G C -0.372 174.497 174.900 -0.052 0.000 0.977 107 G CA 0.091 45.282 45.100 0.152 0.000 0.659 107 G HN 0.598 nan 8.290 nan 0.000 0.533 108 L N 0.458 121.528 121.223 -0.255 0.000 2.409 108 L HA 0.835 5.175 4.340 -0.000 0.000 0.272 108 L C -0.575 176.081 176.870 -0.356 0.000 0.980 108 L CA -1.226 53.256 54.840 -0.597 0.000 0.826 108 L CB 2.355 43.586 42.059 -1.381 0.000 1.268 108 L HN 0.103 nan 8.230 nan 0.000 0.407 109 V N 5.366 125.109 119.914 -0.285 0.000 2.656 109 V HA 0.760 4.880 4.120 -0.000 0.000 0.307 109 V C -0.969 175.020 176.094 -0.176 0.000 1.051 109 V CA -0.583 61.607 62.300 -0.183 0.000 0.893 109 V CB 2.323 34.081 31.823 -0.108 0.000 0.999 109 V HN 0.518 nan 8.190 nan 0.000 0.426 110 V N 3.666 123.490 119.914 -0.151 0.000 2.612 110 V HA 0.538 4.658 4.120 -0.000 0.000 0.301 110 V C -1.184 174.834 176.094 -0.127 0.000 1.059 110 V CA -0.708 61.511 62.300 -0.134 0.000 0.886 110 V CB 2.093 33.826 31.823 -0.150 0.000 1.007 110 V HN 0.826 nan 8.190 nan 0.000 0.426 111 D N 2.100 122.415 120.400 -0.141 0.000 2.269 111 D HA 0.459 5.099 4.640 -0.000 0.000 0.244 111 D C -1.325 174.798 176.300 -0.294 0.000 0.992 111 D CA -0.244 53.600 54.000 -0.260 0.000 0.894 111 D CB 2.811 43.377 40.800 -0.390 0.000 1.248 111 D HN 0.552 nan 8.370 nan 0.000 0.468 112 Y N 1.488 121.507 120.300 -0.469 0.000 2.331 112 Y HA 0.352 4.902 4.550 -0.000 0.000 0.334 112 Y C -1.558 174.127 175.900 -0.358 0.000 0.960 112 Y CA -0.767 57.154 58.100 -0.299 0.000 1.130 112 Y CB 0.639 39.041 38.460 -0.095 0.000 1.164 112 Y HN 0.210 nan 8.280 nan 0.000 0.458 113 Y N 4.983 125.147 120.300 -0.226 0.000 2.712 113 Y HA 0.526 5.076 4.550 -0.000 0.000 0.328 113 Y C 0.537 176.222 175.900 -0.357 0.000 0.995 113 Y CA -0.986 57.014 58.100 -0.166 0.000 1.283 113 Y CB 1.125 39.535 38.460 -0.084 0.000 1.092 113 Y HN 0.884 nan 8.280 nan 0.000 0.519 114 A N 2.027 124.724 122.820 -0.205 0.000 2.560 114 A HA 0.016 4.336 4.320 -0.000 0.000 0.299 114 A C 1.679 178.986 177.584 -0.463 0.000 1.484 114 A CA 1.564 53.501 52.037 -0.167 0.000 0.749 114 A CB -1.764 17.214 19.000 -0.037 0.000 1.072 114 A HN 1.947 nan 8.150 nan 0.000 0.426 115 G N -1.524 106.608 108.800 -1.113 0.000 2.213 115 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.236 115 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.236 115 G C -0.063 174.351 174.900 -0.812 0.000 0.991 115 G CA 0.483 45.117 45.100 -0.776 0.000 0.629 115 G HN 1.628 nan 8.290 nan 0.000 0.517 116 H N 0.822 119.651 119.070 -0.402 0.000 2.539 116 H HA 0.700 5.255 4.556 -0.000 0.000 0.332 116 H C 0.357 175.602 175.328 -0.138 0.000 1.031 116 H CA 0.163 56.108 56.048 -0.171 0.000 1.206 116 H CB 1.510 31.229 29.762 -0.070 0.000 1.446 116 H HN 0.571 nan 8.280 nan 0.000 0.496 117 A N 3.239 126.079 122.820 0.033 0.000 2.303 117 A HA 0.550 4.870 4.320 -0.000 0.000 0.317 117 A C -0.232 177.386 177.584 0.056 0.000 1.149 117 A CA -0.583 51.467 52.037 0.022 0.000 0.822 117 A CB 0.798 19.821 19.000 0.038 0.000 1.131 117 A HN 0.432 nan 8.150 nan 0.000 0.493 118 V N 3.115 123.050 119.914 0.033 0.000 2.407 118 V HA 0.356 4.476 4.120 -0.000 0.000 0.291 118 V C -0.291 175.796 176.094 -0.011 0.000 1.018 118 V CA -0.508 61.824 62.300 0.053 0.000 0.842 118 V CB 1.365 33.280 31.823 0.155 0.000 0.996 118 V HN 0.663 nan 8.190 nan 0.000 0.426 119 V N 5.006 124.901 119.914 -0.032 0.000 2.539 119 V HA 0.469 4.589 4.120 -0.000 0.000 0.292 119 V C -0.113 175.923 176.094 -0.097 0.000 1.045 119 V CA -0.456 61.794 62.300 -0.084 0.000 0.945 119 V CB 1.645 33.416 31.823 -0.087 0.000 0.993 119 V HN 0.897 nan 8.190 nan 0.000 0.464 120 Q N 2.864 122.584 119.800 -0.132 0.000 2.397 120 Q HA 0.587 4.927 4.340 -0.000 0.000 0.260 120 Q C -0.647 175.255 176.000 -0.163 0.000 1.002 120 Q CA -0.379 55.349 55.803 -0.125 0.000 0.716 120 Q CB 2.152 30.840 28.738 -0.084 0.000 1.258 120 Q HN 0.884 nan 8.270 nan 0.000 0.477 121 A N 1.334 124.071 122.820 -0.139 0.000 2.301 121 A HA 0.544 4.864 4.320 -0.000 0.000 0.298 121 A C 0.703 178.269 177.584 -0.029 0.000 1.185 121 A CA -0.233 51.746 52.037 -0.096 0.000 0.830 121 A CB 0.367 19.371 19.000 0.006 0.000 1.112 121 A HN 0.710 nan 8.150 nan 0.000 0.508 122 T N -1.075 113.493 114.554 0.023 0.000 3.144 122 T HA 0.550 4.900 4.350 -0.000 0.000 0.290 122 T C 0.205 174.952 174.700 0.078 0.000 0.966 122 T CA 0.577 62.694 62.100 0.030 0.000 0.907 122 T CB 0.099 68.964 68.868 -0.005 0.000 1.152 122 T HN 1.304 nan 8.240 nan 0.000 0.532 123 A N 0.466 123.389 122.820 0.172 0.000 2.343 123 A HA 0.660 4.980 4.320 -0.000 0.000 0.308 123 A C 0.612 178.279 177.584 0.137 0.000 1.092 123 A CA -0.578 51.550 52.037 0.151 0.000 0.751 123 A CB 0.780 19.890 19.000 0.183 0.000 1.203 123 A HN 0.326 nan 8.150 nan 0.000 0.452 124 H N 2.650 121.730 119.070 0.016 0.000 2.368 124 H HA -0.294 4.262 4.556 -0.000 0.000 0.292 124 H C 2.068 177.387 175.328 -0.015 0.000 1.117 124 H CA 3.418 59.469 56.048 0.006 0.000 1.231 124 H CB 0.274 30.020 29.762 -0.027 0.000 1.359 124 H HN 0.770 nan 8.280 nan 0.000 0.490 125 A N -1.006 121.818 122.820 0.007 0.000 2.172 125 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 125 A C 1.900 179.335 177.584 -0.249 0.000 1.154 125 A CA 1.031 52.974 52.037 -0.157 0.000 0.701 125 A CB -0.880 17.946 19.000 -0.290 0.000 0.789 125 A HN 0.679 nan 8.150 nan 0.000 0.465 126 W N -0.628 120.633 121.300 -0.065 0.000 2.658 126 W HA 0.063 4.723 4.660 -0.000 0.000 0.263 126 W C 2.081 178.565 176.519 -0.058 0.000 1.274 126 W CA 0.610 57.913 57.345 -0.069 0.000 1.343 126 W CB 0.244 29.663 29.460 -0.068 0.000 1.106 126 W HN 0.381 nan 8.180 nan 0.000 0.615 127 E N 0.063 120.336 120.200 0.122 0.000 2.070 127 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 127 E C 2.295 178.929 176.600 0.056 0.000 1.004 127 E CA 1.925 58.358 56.400 0.056 0.000 0.805 127 E CB -0.747 28.898 29.700 -0.093 0.000 0.744 127 E HN 0.132 nan 8.360 nan 0.000 0.451 128 G N -1.147 107.665 108.800 0.021 0.000 3.042 128 G HA2 0.047 4.007 3.960 -0.000 0.000 0.212 128 G HA3 0.047 4.007 3.960 -0.000 0.000 0.212 128 G C 1.013 175.937 174.900 0.039 0.000 1.166 128 G CA -0.094 45.018 45.100 0.021 0.000 0.767 128 G HN 0.226 nan 8.290 nan 0.000 0.546 129 L N 0.046 121.318 121.223 0.081 0.000 2.640 129 L HA 0.324 4.664 4.340 -0.000 0.000 0.230 129 L C 2.281 179.255 176.870 0.173 0.000 1.123 129 L CA -0.143 54.766 54.840 0.115 0.000 0.900 129 L CB 0.079 42.203 42.059 0.108 0.000 1.146 129 L HN 0.125 nan 8.230 nan 0.000 0.484 130 L N 0.553 121.872 121.223 0.161 0.000 2.021 130 L HA -0.216 4.124 4.340 -0.000 0.000 0.215 130 L C -0.252 176.673 176.870 0.091 0.000 1.074 130 L CA 1.823 56.738 54.840 0.125 0.000 0.760 130 L CB -1.845 40.280 42.059 0.109 0.000 0.889 130 L HN 0.240 nan 8.230 nan 0.000 0.433 131 P HA -0.201 nan 4.420 nan 0.000 0.216 131 P C 1.488 178.825 177.300 0.062 0.000 1.153 131 P CA 1.271 64.406 63.100 0.059 0.000 0.858 131 P CB 0.060 31.788 31.700 0.046 0.000 0.789 132 Q N -0.992 118.854 119.800 0.076 0.000 2.079 132 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 132 Q C 2.123 178.178 176.000 0.091 0.000 0.974 132 Q CA 1.257 57.108 55.803 0.080 0.000 0.840 132 Q CB -1.246 27.546 28.738 0.090 0.000 0.898 132 Q HN 0.069 nan 8.270 nan 0.000 0.430 133 V N 0.485 120.464 119.914 0.107 0.000 2.295 133 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 133 V C 2.142 178.264 176.094 0.047 0.000 1.049 133 V CA 1.764 64.106 62.300 0.070 0.000 1.024 133 V CB -1.138 30.699 31.823 0.023 0.000 0.648 133 V HN 0.445 nan 8.190 nan 0.000 0.447 134 A N 0.085 122.934 122.820 0.049 0.000 1.883 134 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 134 A C 2.197 179.813 177.584 0.054 0.000 1.186 134 A CA 2.207 54.272 52.037 0.047 0.000 0.624 134 A CB -0.613 18.415 19.000 0.047 0.000 0.822 134 A HN 0.543 nan 8.150 nan 0.000 0.444 135 E N 0.285 120.517 120.200 0.053 0.000 2.204 135 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 135 E C 1.860 178.496 176.600 0.060 0.000 0.990 135 E CA 1.515 57.945 56.400 0.050 0.000 0.821 135 E CB -0.449 29.279 29.700 0.045 0.000 0.750 135 E HN 0.493 nan 8.360 nan 0.000 0.477 136 A N -0.121 122.740 122.820 0.069 0.000 1.930 136 A HA 0.017 4.337 4.320 -0.000 0.000 0.215 136 A C 2.247 179.905 177.584 0.122 0.000 1.176 136 A CA 0.954 53.041 52.037 0.084 0.000 0.632 136 A CB -0.424 18.620 19.000 0.073 0.000 0.819 136 A HN 0.308 nan 8.150 nan 0.000 0.445 137 L N -1.366 119.921 121.223 0.107 0.000 2.068 137 L HA -0.103 4.237 4.340 -0.000 0.000 0.204 137 L C 2.665 179.668 176.870 0.223 0.000 1.076 137 L CA 0.887 55.822 54.840 0.157 0.000 0.753 137 L CB -0.510 41.600 42.059 0.085 0.000 0.910 137 L HN 0.343 nan 8.230 nan 0.000 0.439 138 R N 0.731 121.301 120.500 0.117 0.000 2.270 138 R HA -0.250 4.090 4.340 -0.000 0.000 0.260 138 R C -0.563 175.750 176.300 0.023 0.000 1.127 138 R CA 2.527 58.668 56.100 0.068 0.000 0.969 138 R CB -2.036 28.287 30.300 0.039 0.000 0.918 138 R HN 0.254 nan 8.270 nan 0.000 0.455 139 P HA -0.064 nan 4.420 nan 0.000 0.226 139 P C -0.121 176.882 177.300 -0.496 0.000 1.146 139 P CA 1.429 64.342 63.100 -0.311 0.000 0.773 139 P CB -0.068 31.359 31.700 -0.454 0.000 0.772 140 H N -3.818 115.273 119.070 0.034 0.000 3.360 140 H HA 0.195 4.751 4.556 -0.000 0.000 0.262 140 H C 0.737 176.139 175.328 0.123 0.000 1.149 140 H CA -0.356 55.729 56.048 0.062 0.000 1.181 140 H CB -0.073 29.714 29.762 0.041 0.000 1.564 140 H HN -0.051 nan 8.280 nan 0.000 0.565 141 V N -1.262 118.762 119.914 0.184 0.000 3.177 141 V HA 0.404 4.524 4.120 -0.000 0.000 0.319 141 V C 0.318 176.418 176.094 0.010 0.000 1.125 141 V CA -0.788 61.564 62.300 0.088 0.000 1.029 141 V CB 2.495 34.368 31.823 0.083 0.000 1.119 141 V HN 0.151 nan 8.190 nan 0.000 0.452 142 Q N 0.397 120.159 119.800 -0.064 0.000 2.164 142 Q HA 0.428 4.768 4.340 -0.000 0.000 0.226 142 Q C 0.307 176.356 176.000 0.081 0.000 0.813 142 Q CA 0.353 56.140 55.803 -0.027 0.000 0.978 142 Q CB 1.408 30.082 28.738 -0.106 0.000 1.149 142 Q HN 0.899 nan 8.270 nan 0.000 0.489 143 S N -0.399 115.372 115.700 0.119 0.000 2.567 143 S HA 0.584 5.054 4.470 -0.000 0.000 0.270 143 S C -1.902 172.773 174.600 0.125 0.000 1.152 143 S CA -0.568 57.745 58.200 0.187 0.000 0.835 143 S CB 1.997 65.433 63.200 0.393 0.000 1.115 143 S HN -0.090 nan 8.310 nan 0.000 0.459 144 V N 3.257 123.225 119.914 0.090 0.000 2.610 144 V HA 0.553 4.673 4.120 -0.000 0.000 0.298 144 V C -1.302 174.823 176.094 0.052 0.000 1.067 144 V CA -0.544 61.795 62.300 0.065 0.000 0.894 144 V CB 1.445 33.300 31.823 0.053 0.000 1.015 144 V HN 0.819 nan 8.190 nan 0.000 0.432 145 L N 4.744 125.994 121.223 0.045 0.000 2.305 145 L HA 0.876 5.216 4.340 -0.000 0.000 0.284 145 L C 0.529 177.410 176.870 0.018 0.000 1.013 145 L CA -0.187 54.673 54.840 0.033 0.000 0.819 145 L CB 1.556 43.632 42.059 0.027 0.000 1.227 145 L HN 0.759 nan 8.230 nan 0.000 0.417 146 A N 5.082 127.916 122.820 0.024 0.000 2.671 146 A HA 0.203 4.523 4.320 -0.000 0.000 0.306 146 A C 0.425 177.963 177.584 -0.078 0.000 1.473 146 A CA -0.303 51.729 52.037 -0.008 0.000 1.155 146 A CB -0.570 18.472 19.000 0.069 0.000 1.123 146 A HN 0.704 nan 8.150 nan 0.000 0.545 147 K N 2.865 123.214 120.400 -0.085 0.000 2.502 147 K HA 0.083 4.403 4.320 -0.000 0.000 0.244 147 K C -0.448 176.044 176.600 -0.180 0.000 1.249 147 K CA -0.220 56.005 56.287 -0.103 0.000 1.193 147 K CB -0.218 32.258 32.500 -0.040 0.000 1.674 147 K HN 0.599 nan 8.250 nan 0.000 0.302 148 N N 2.964 121.448 118.700 -0.360 0.000 3.209 148 N HA -0.013 4.727 4.740 -0.000 0.000 0.309 148 N C -0.727 174.555 175.510 -0.380 0.000 1.384 148 N CA 0.073 52.859 53.050 -0.439 0.000 1.173 148 N CB 0.704 38.743 38.487 -0.747 0.000 1.460 148 N HN 0.533 nan 8.380 nan 0.000 0.534 149 D N -1.427 118.854 120.400 -0.199 0.000 2.538 149 D HA 0.106 4.746 4.640 -0.000 0.000 0.231 149 D C 0.062 176.329 176.300 -0.055 0.000 1.229 149 D CA -0.452 53.482 54.000 -0.110 0.000 0.828 149 D CB 0.007 40.767 40.800 -0.067 0.000 1.035 149 D HN 0.029 nan 8.370 nan 0.000 0.495 150 A N 1.028 123.813 122.820 -0.057 0.000 2.328 150 A HA 0.332 4.652 4.320 -0.000 0.000 0.284 150 A C 1.410 178.985 177.584 -0.015 0.000 1.160 150 A CA -0.621 51.401 52.037 -0.026 0.000 0.818 150 A CB 0.901 19.886 19.000 -0.026 0.000 1.087 150 A HN 0.148 nan 8.150 nan 0.000 0.504 151 R N 1.591 122.090 120.500 -0.002 0.000 2.139 151 R HA -0.182 4.158 4.340 -0.000 0.000 0.243 151 R C 1.967 178.268 176.300 0.003 0.000 1.145 151 R CA 2.492 58.595 56.100 0.005 0.000 0.976 151 R CB -0.586 29.719 30.300 0.010 0.000 0.866 151 R HN 0.913 nan 8.270 nan 0.000 0.449 152 T N -1.835 112.717 114.554 -0.003 0.000 2.869 152 T HA -0.158 4.192 4.350 -0.000 0.000 0.270 152 T C 1.755 176.454 174.700 -0.002 0.000 1.082 152 T CA 1.349 63.445 62.100 -0.007 0.000 1.123 152 T CB -0.308 68.550 68.868 -0.017 0.000 0.856 152 T HN 0.405 nan 8.240 nan 0.000 0.499 153 R N 0.813 121.313 120.500 0.000 0.000 2.148 153 R HA 0.050 4.390 4.340 -0.000 0.000 0.223 153 R C 2.687 179.008 176.300 0.035 0.000 1.088 153 R CA 1.354 57.462 56.100 0.014 0.000 0.985 153 R CB -0.152 30.147 30.300 -0.001 0.000 0.880 153 R HN 0.629 nan 8.270 nan 0.000 0.451 154 E N 0.664 120.881 120.200 0.029 0.000 2.058 154 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 154 E C 1.796 178.418 176.600 0.037 0.000 0.997 154 E CA 0.984 57.405 56.400 0.036 0.000 0.801 154 E CB -0.127 29.588 29.700 0.025 0.000 0.746 154 E HN 0.082 nan 8.360 nan 0.000 0.450 155 L N 1.399 122.637 121.223 0.025 0.000 2.189 155 L HA -0.199 4.141 4.340 -0.000 0.000 0.214 155 L C 1.893 178.782 176.870 0.031 0.000 1.097 155 L CA 1.687 56.538 54.840 0.019 0.000 0.764 155 L CB -0.098 41.963 42.059 0.003 0.000 0.900 155 L HN 0.048 nan 8.230 nan 0.000 0.436 156 E N -0.666 119.564 120.200 0.050 0.000 2.318 156 E HA 0.140 4.490 4.350 -0.000 0.000 0.193 156 E C 1.291 177.987 176.600 0.161 0.000 0.998 156 E CA 0.786 57.237 56.400 0.086 0.000 0.859 156 E CB 0.103 29.864 29.700 0.102 0.000 0.812 156 E HN 0.474 nan 8.360 nan 0.000 0.492 157 G N 1.413 110.295 108.800 0.138 0.000 2.270 157 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.224 157 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.224 157 G C -0.135 174.888 174.900 0.206 0.000 1.079 157 G CA 0.049 45.244 45.100 0.158 0.000 0.807 157 G HN 0.096 nan 8.290 nan 0.000 0.492 158 L N -0.217 121.086 121.223 0.133 0.000 2.319 158 L HA 0.693 5.033 4.340 -0.000 0.000 0.267 158 L C -2.009 174.917 176.870 0.093 0.000 1.011 158 L CA -2.598 52.294 54.840 0.087 0.000 0.818 158 L CB 2.250 44.332 42.059 0.038 0.000 1.316 158 L HN -0.014 nan 8.230 nan 0.000 0.432 159 P HA 0.361 nan 4.420 nan 0.000 0.279 159 P C -1.331 176.106 177.300 0.229 0.000 1.252 159 P CA -0.448 62.758 63.100 0.177 0.000 0.811 159 P CB 0.708 32.516 31.700 0.180 0.000 1.035 160 L N 2.980 124.319 121.223 0.193 0.000 2.295 160 L HA 0.673 5.013 4.340 -0.000 0.000 0.285 160 L C -0.492 176.505 176.870 0.213 0.000 1.035 160 L CA -0.723 54.173 54.840 0.093 0.000 0.806 160 L CB 0.397 42.483 42.059 0.045 0.000 1.214 160 L HN 0.570 nan 8.230 nan 0.000 0.426 161 Y N 0.716 121.018 120.300 0.004 0.000 2.661 161 Y HA 0.568 5.118 4.550 -0.000 0.000 0.339 161 Y C -1.816 174.086 175.900 0.003 0.000 1.186 161 Y CA -1.396 56.705 58.100 0.003 0.000 1.137 161 Y CB 0.841 39.302 38.460 0.001 0.000 1.354 161 Y HN 0.099 nan 8.280 nan 0.000 0.469 162 V N 3.596 123.567 119.914 0.095 0.000 2.376 162 V HA 0.722 4.842 4.120 -0.000 0.000 0.287 162 V C -0.527 175.649 176.094 0.136 0.000 1.015 162 V CA -0.741 61.581 62.300 0.036 0.000 0.834 162 V CB 1.307 33.133 31.823 0.006 0.000 1.001 162 V HN 0.808 nan 8.190 nan 0.000 0.428 163 R N 4.183 124.783 120.500 0.167 0.000 2.604 163 R HA 0.503 4.843 4.340 -0.000 0.000 0.281 163 R C -3.039 173.317 176.300 0.094 0.000 1.020 163 R CA -1.956 54.229 56.100 0.142 0.000 0.899 163 R CB 2.685 33.095 30.300 0.184 0.000 1.205 163 R HN 0.358 nan 8.270 nan 0.000 0.450 164 P HA -0.018 nan 4.420 nan 0.000 0.268 164 P C -0.150 177.183 177.300 0.054 0.000 1.208 164 P CA -0.021 63.106 63.100 0.045 0.000 0.777 164 P CB 0.655 32.372 31.700 0.029 0.000 0.875 165 L N 2.015 123.268 121.223 0.051 0.000 2.653 165 L HA 0.430 4.769 4.340 -0.000 0.000 0.230 165 L C -0.191 176.706 176.870 0.044 0.000 1.055 165 L CA 0.608 55.479 54.840 0.052 0.000 0.880 165 L CB 0.376 42.468 42.059 0.054 0.000 1.195 165 L HN 0.215 nan 8.230 nan 0.000 0.492 166 L N -1.091 120.159 121.223 0.045 0.000 2.545 166 L HA 0.699 5.039 4.340 -0.000 0.000 0.258 166 L C -0.046 176.853 176.870 0.047 0.000 0.942 166 L CA 0.410 55.276 54.840 0.043 0.000 0.855 166 L CB 1.429 43.515 42.059 0.046 0.000 1.374 166 L HN 0.183 nan 8.230 nan 0.000 0.411 167 G N 2.934 111.759 108.800 0.041 0.000 2.692 167 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.248 167 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.248 167 G C -0.503 174.421 174.900 0.040 0.000 1.340 167 G CA 0.202 45.330 45.100 0.045 0.000 0.896 167 G HN 0.849 nan 8.290 nan 0.000 0.570 168 E N -0.512 119.714 120.200 0.044 0.000 2.081 168 E HA 0.440 4.790 4.350 -0.000 0.000 0.276 168 E C -0.030 176.566 176.600 -0.006 0.000 0.950 168 E CA -0.663 55.748 56.400 0.018 0.000 0.776 168 E CB 1.648 31.355 29.700 0.012 0.000 1.094 168 E HN 0.464 nan 8.360 nan 0.000 0.402 169 V N 5.703 125.594 119.914 -0.038 0.000 2.427 169 V HA 0.138 4.258 4.120 -0.000 0.000 0.268 169 V C -1.821 174.166 176.094 -0.179 0.000 1.046 169 V CA -1.496 60.736 62.300 -0.113 0.000 0.970 169 V CB 0.012 31.800 31.823 -0.057 0.000 1.001 169 V HN 0.591 nan 8.190 nan 0.000 0.476 170 P HA 0.124 nan 4.420 nan 0.000 0.271 170 P C 0.953 178.144 177.300 -0.182 0.000 1.244 170 P CA -0.305 62.637 63.100 -0.262 0.000 0.793 170 P CB 0.876 32.346 31.700 -0.384 0.000 0.984 171 E N 0.153 120.275 120.200 -0.130 0.000 2.122 171 E HA 0.013 4.363 4.350 -0.000 0.000 0.190 171 E C 0.318 176.851 176.600 -0.111 0.000 0.977 171 E CA 1.054 57.395 56.400 -0.099 0.000 0.820 171 E CB 0.315 29.972 29.700 -0.072 0.000 0.770 171 E HN 0.353 nan 8.360 nan 0.000 0.462 172 R N -0.840 119.586 120.500 -0.123 0.000 2.707 172 R HA 0.486 4.825 4.340 -0.000 0.000 0.272 172 R C -1.443 174.779 176.300 -0.129 0.000 1.011 172 R CA -0.457 55.569 56.100 -0.124 0.000 0.893 172 R CB 2.839 33.081 30.300 -0.096 0.000 1.233 172 R HN -0.099 nan 8.270 nan 0.000 0.464 173 V N 1.315 121.149 119.914 -0.133 0.000 2.925 173 V HA 0.391 4.511 4.120 -0.000 0.000 0.311 173 V C -1.391 174.625 176.094 -0.130 0.000 1.104 173 V CA -0.587 61.656 62.300 -0.095 0.000 0.954 173 V CB 2.413 34.223 31.823 -0.023 0.000 1.022 173 V HN 0.697 nan 8.190 nan 0.000 0.427 174 Q N 3.228 122.964 119.800 -0.107 0.000 2.296 174 Q HA 0.596 4.936 4.340 -0.000 0.000 0.257 174 Q C -1.151 174.728 176.000 -0.201 0.000 0.942 174 Q CA -0.451 55.258 55.803 -0.155 0.000 0.939 174 Q CB 1.993 30.674 28.738 -0.094 0.000 1.198 174 Q HN 0.660 nan 8.270 nan 0.000 0.429 175 V N 2.940 122.609 119.914 -0.408 0.000 2.435 175 V HA 0.193 4.313 4.120 -0.000 0.000 0.290 175 V C -0.278 175.608 176.094 -0.347 0.000 1.030 175 V CA -0.806 61.231 62.300 -0.438 0.000 0.881 175 V CB 1.667 33.035 31.823 -0.759 0.000 0.983 175 V HN 0.663 nan 8.190 nan 0.000 0.445 176 Q N 3.299 123.039 119.800 -0.101 0.000 2.274 176 Q HA 0.407 4.747 4.340 -0.000 0.000 0.256 176 Q C -0.511 175.546 176.000 0.096 0.000 0.927 176 Q CA 0.178 55.986 55.803 0.008 0.000 0.939 176 Q CB 1.086 29.849 28.738 0.043 0.000 1.201 176 Q HN 0.813 nan 8.270 nan 0.000 0.426 177 E N 3.540 123.838 120.200 0.164 0.000 2.409 177 E HA 0.471 4.821 4.350 -0.000 0.000 0.259 177 E C -0.042 176.696 176.600 0.229 0.000 0.932 177 E CA 0.111 56.649 56.400 0.231 0.000 0.809 177 E CB 0.081 30.015 29.700 0.388 0.000 1.341 177 E HN 0.897 nan 8.360 nan 0.000 0.405 178 G N 4.427 113.335 108.800 0.181 0.000 2.591 178 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.298 178 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.298 178 G C 0.512 175.481 174.900 0.116 0.000 1.195 178 G CA 0.303 45.504 45.100 0.169 0.000 0.989 178 G HN 0.612 nan 8.290 nan 0.000 0.551 179 R N 0.500 121.060 120.500 0.099 0.000 2.391 179 R HA 0.410 4.750 4.340 -0.000 0.000 0.249 179 R C 0.518 176.814 176.300 -0.006 0.000 0.957 179 R CA 0.762 56.889 56.100 0.045 0.000 1.093 179 R CB 0.186 30.516 30.300 0.049 0.000 1.156 179 R HN 0.941 nan 8.270 nan 0.000 0.526 180 V N -3.092 116.803 119.914 -0.032 0.000 3.130 180 V HA 0.609 4.729 4.120 -0.000 0.000 0.310 180 V C -0.818 175.290 176.094 0.023 0.000 1.158 180 V CA -1.334 60.924 62.300 -0.069 0.000 1.029 180 V CB 2.698 34.361 31.823 -0.268 0.000 1.057 180 V HN -0.001 nan 8.190 nan 0.000 0.436 181 R N 1.255 121.776 120.500 0.035 0.000 2.750 181 R HA 0.770 5.110 4.340 -0.000 0.000 0.281 181 R C -1.761 174.608 176.300 0.115 0.000 0.972 181 R CA -0.589 55.535 56.100 0.040 0.000 0.912 181 R CB 2.385 32.674 30.300 -0.019 0.000 1.187 181 R HN 0.969 nan 8.270 nan 0.000 0.464 182 Y N -0.965 119.315 120.300 -0.033 0.000 2.615 182 Y HA 0.578 5.128 4.550 -0.000 0.000 0.341 182 Y C -1.358 174.511 175.900 -0.051 0.000 1.089 182 Y CA -1.416 56.658 58.100 -0.043 0.000 1.049 182 Y CB 1.132 39.569 38.460 -0.039 0.000 1.296 182 Y HN 0.299 nan 8.280 nan 0.000 0.470 183 L N 2.982 124.230 121.223 0.041 0.000 2.289 183 L HA 0.650 4.990 4.340 -0.000 0.000 0.285 183 L C -0.867 175.969 176.870 -0.056 0.000 1.049 183 L CA -1.190 53.613 54.840 -0.061 0.000 0.804 183 L CB 1.551 43.582 42.059 -0.045 0.000 1.195 183 L HN 0.547 nan 8.230 nan 0.000 0.428 184 V N 2.234 122.046 119.914 -0.169 0.000 2.357 184 V HA 0.167 4.287 4.120 -0.000 0.000 0.284 184 V C -0.171 175.786 176.094 -0.228 0.000 1.018 184 V CA -0.578 61.574 62.300 -0.246 0.000 0.841 184 V CB 1.730 33.252 31.823 -0.501 0.000 0.991 184 V HN 0.645 nan 8.190 nan 0.000 0.437 185 D N 4.877 125.167 120.400 -0.182 0.000 2.483 185 D HA 0.210 4.850 4.640 -0.000 0.000 0.220 185 D C 1.330 177.537 176.300 -0.155 0.000 1.173 185 D CA -0.159 53.757 54.000 -0.141 0.000 0.964 185 D CB 0.947 41.691 40.800 -0.094 0.000 1.046 185 D HN 0.509 nan 8.370 nan 0.000 0.517 186 L N 2.331 123.450 121.223 -0.172 0.000 2.283 186 L HA -0.255 4.085 4.340 -0.000 0.000 0.217 186 L C 2.399 179.227 176.870 -0.070 0.000 1.104 186 L CA 0.948 55.711 54.840 -0.130 0.000 0.772 186 L CB -0.345 41.656 42.059 -0.097 0.000 0.899 186 L HN 0.234 nan 8.230 nan 0.000 0.439 187 R N 0.125 120.586 120.500 -0.066 0.000 2.055 187 R HA 0.150 4.490 4.340 -0.000 0.000 0.226 187 R C 1.091 177.374 176.300 -0.029 0.000 1.135 187 R CA 1.141 57.217 56.100 -0.039 0.000 0.959 187 R CB -0.486 29.793 30.300 -0.035 0.000 0.854 187 R HN 0.335 nan 8.270 nan 0.000 0.431 195 Y N 1.079 121.371 120.300 -0.013 0.000 2.335 195 Y HA 0.380 4.930 4.550 -0.000 0.000 0.331 195 Y C 1.646 177.555 175.900 0.015 0.000 1.094 195 Y CA 0.180 58.300 58.100 0.034 0.000 1.253 195 Y CB 0.645 39.095 38.460 -0.017 0.000 1.203 195 Y HN 0.513 nan 8.280 nan 0.000 0.508 196 L N 1.362 122.721 121.223 0.225 0.000 2.263 196 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 196 L C 1.474 178.356 176.870 0.020 0.000 1.111 196 L CA 1.506 56.446 54.840 0.166 0.000 0.773 196 L CB -0.460 41.749 42.059 0.251 0.000 0.906 196 L HN 0.725 nan 8.230 nan 0.000 0.439 197 D N -1.541 118.757 120.400 -0.169 0.000 2.350 197 D HA -0.187 4.453 4.640 -0.000 0.000 0.216 197 D C 1.783 177.883 176.300 -0.333 0.000 0.968 197 D CA 0.690 54.313 54.000 -0.629 0.000 0.894 197 D CB -0.173 40.273 40.800 -0.590 0.000 0.909 197 D HN 0.274 nan 8.370 nan 0.000 0.520 198 Q N -0.381 119.297 119.800 -0.202 0.000 2.219 198 Q HA 0.138 4.478 4.340 -0.000 0.000 0.209 198 Q C 1.626 177.430 176.000 -0.326 0.000 0.854 198 Q CA -0.223 55.435 55.803 -0.242 0.000 0.960 198 Q CB 0.573 29.224 28.738 -0.145 0.000 1.116 198 Q HN 0.394 nan 8.270 nan 0.000 0.500 199 R N 1.618 121.974 120.500 -0.240 0.000 2.097 199 R HA -0.180 4.160 4.340 -0.000 0.000 0.236 199 R C 1.227 177.391 176.300 -0.226 0.000 1.135 199 R CA 1.714 57.683 56.100 -0.218 0.000 0.934 199 R CB 0.157 30.373 30.300 -0.139 0.000 0.846 199 R HN 0.277 nan 8.270 nan 0.000 0.431 200 E N -0.312 119.792 120.200 -0.160 0.000 2.268 200 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 200 E C 1.710 178.215 176.600 -0.157 0.000 0.995 200 E CA 0.703 57.043 56.400 -0.100 0.000 0.836 200 E CB -0.018 29.674 29.700 -0.013 0.000 0.763 200 E HN 0.432 nan 8.360 nan 0.000 0.491 201 N N 0.752 119.258 118.700 -0.324 0.000 2.250 201 N HA -0.046 4.694 4.740 -0.000 0.000 0.181 201 N C 1.650 176.998 175.510 -0.270 0.000 1.017 201 N CA 0.608 53.359 53.050 -0.499 0.000 0.866 201 N CB -0.078 37.669 38.487 -1.233 0.000 0.985 201 N HN 0.134 nan 8.380 nan 0.000 0.429 202 R N 0.810 121.010 120.500 -0.500 0.000 2.073 202 R HA 0.029 4.369 4.340 -0.000 0.000 0.234 202 R C 2.260 178.195 176.300 -0.609 0.000 1.134 202 R CA 0.789 56.458 56.100 -0.720 0.000 0.952 202 R CB -0.523 29.153 30.300 -1.040 0.000 0.850 202 R HN 0.191 nan 8.270 nan 0.000 0.433 203 L N -0.195 120.708 121.223 -0.534 0.000 2.079 203 L HA -0.189 4.150 4.340 -0.000 0.000 0.210 203 L C 1.579 178.444 176.870 -0.008 0.000 1.081 203 L CA 0.829 55.504 54.840 -0.275 0.000 0.752 203 L CB -0.598 41.405 42.059 -0.094 0.000 0.896 203 L HN 0.174 nan 8.230 nan 0.000 0.433 207 R N 0.200 120.574 120.500 -0.211 0.000 2.313 207 R HA 0.178 4.518 4.340 -0.000 0.000 0.199 207 R C -0.176 175.716 176.300 -0.681 0.000 0.958 207 R CA 0.509 56.276 56.100 -0.557 0.000 1.047 207 R CB 0.128 29.867 30.300 -0.935 0.000 0.955 207 R HN -0.109 nan 8.270 nan 0.000 0.481 208 F N 0.407 120.409 119.950 0.087 0.000 2.492 208 F HA 0.506 5.033 4.527 -0.000 0.000 0.327 208 F C 0.459 176.327 175.800 0.113 0.000 1.079 208 F CA -1.041 57.053 58.000 0.156 0.000 0.967 208 F CB 1.334 40.528 39.000 0.323 0.000 1.169 208 F HN -0.333 nan 8.300 nan 0.000 0.472 209 R N 0.817 121.319 120.500 0.003 0.000 2.771 209 R HA 0.880 5.220 4.340 -0.000 0.000 0.274 209 R C -0.573 175.198 176.300 -0.882 0.000 0.987 209 R CA -1.316 54.516 56.100 -0.446 0.000 0.908 209 R CB 2.416 32.591 30.300 -0.208 0.000 1.213 209 R HN 0.932 nan 8.270 nan 0.000 0.468 210 G N 0.335 108.359 108.800 -1.294 0.000 2.325 210 G HA2 0.064 4.024 3.960 -0.000 0.000 0.295 210 G HA3 0.064 4.024 3.960 -0.000 0.000 0.295 210 G C -0.533 174.115 174.900 -0.419 0.000 1.274 210 G CA -0.557 44.052 45.100 -0.817 0.000 0.857 210 G HN 0.384 nan 8.290 nan 0.000 0.499 211 E N 0.247 120.431 120.200 -0.027 0.000 2.021 211 E HA 0.129 4.479 4.350 -0.000 0.000 0.191 211 E C 0.870 177.665 176.600 0.325 0.000 0.971 211 E CA 0.817 57.284 56.400 0.112 0.000 0.825 211 E CB -0.020 29.716 29.700 0.060 0.000 0.788 211 E HN 0.387 nan 8.360 nan 0.000 0.460 212 R N -0.452 120.273 120.500 0.374 0.000 2.637 212 R HA 0.666 5.006 4.340 -0.000 0.000 0.291 212 R C -0.868 175.683 176.300 0.419 0.000 0.963 212 R CA -0.329 55.994 56.100 0.373 0.000 0.901 212 R CB 2.214 32.593 30.300 0.132 0.000 1.160 212 R HN 0.110 nan 8.270 nan 0.000 0.457 213 A N 2.662 125.571 122.820 0.148 0.000 2.374 213 A HA 0.599 4.919 4.320 -0.000 0.000 0.305 213 A C -1.664 175.856 177.584 -0.107 0.000 1.053 213 A CA -0.611 51.282 52.037 -0.239 0.000 0.726 213 A CB 1.218 19.649 19.000 -0.949 0.000 1.229 213 A HN 0.515 nan 8.150 nan 0.000 0.431 214 L N 1.670 122.744 121.223 -0.247 0.000 2.313 214 L HA 0.643 4.983 4.340 -0.000 0.000 0.283 214 L C -0.886 175.821 176.870 -0.272 0.000 1.013 214 L CA -0.059 54.548 54.840 -0.389 0.000 0.816 214 L CB 1.616 43.162 42.059 -0.855 0.000 1.236 214 L HN 0.682 nan 8.230 nan 0.000 0.419 215 D N 3.900 124.186 120.400 -0.189 0.000 2.458 215 D HA 0.319 4.959 4.640 -0.000 0.000 0.258 215 D C -0.900 175.332 176.300 -0.114 0.000 1.134 215 D CA -0.258 53.673 54.000 -0.115 0.000 0.915 215 D CB 0.755 41.546 40.800 -0.015 0.000 1.028 215 D HN 0.260 nan 8.370 nan 0.000 0.508 216 V N 4.102 123.924 119.914 -0.153 0.000 2.637 216 V HA 0.213 4.333 4.120 -0.000 0.000 0.296 216 V C 0.380 176.446 176.094 -0.047 0.000 1.046 216 V CA -0.290 61.851 62.300 -0.265 0.000 1.066 216 V CB -0.335 31.285 31.823 -0.338 0.000 0.968 216 V HN 0.631 nan 8.190 nan 0.000 0.483 217 F N 2.258 122.201 119.950 -0.012 0.000 2.803 217 F HA -0.209 4.318 4.527 -0.000 0.000 0.323 217 F C 1.546 177.402 175.800 0.094 0.000 1.033 217 F CA 0.814 58.840 58.000 0.042 0.000 1.066 217 F CB -1.728 37.281 39.000 0.015 0.000 1.283 217 F HN 0.595 nan 8.300 nan 0.000 0.816 218 S N -0.491 115.327 115.700 0.197 0.000 2.461 218 S HA -0.007 4.463 4.470 -0.000 0.000 0.228 218 S C 1.160 175.940 174.600 0.300 0.000 1.005 218 S CA 1.034 59.364 58.200 0.216 0.000 0.942 218 S CB -0.089 63.177 63.200 0.110 0.000 0.776 218 S HN 0.644 nan 8.310 nan 0.000 0.514 219 Y N 0.515 120.892 120.300 0.129 0.000 2.864 219 Y HA -0.486 4.064 4.550 -0.000 0.000 0.468 219 Y C 1.242 177.186 175.900 0.074 0.000 1.175 219 Y CA 0.871 59.040 58.100 0.115 0.000 2.601 219 Y CB -1.606 36.943 38.460 0.148 0.000 1.207 219 Y HN 0.133 nan 8.280 nan 0.000 0.627 220 A N 1.343 124.004 122.820 -0.265 0.000 2.265 220 A HA 0.420 4.740 4.320 -0.000 0.000 0.213 220 A C 1.728 179.287 177.584 -0.042 0.000 1.255 220 A CA 1.255 53.143 52.037 -0.248 0.000 0.862 220 A CB -1.693 17.152 19.000 -0.258 0.000 0.852 220 A HN 2.172 nan 8.150 nan 0.000 0.484 221 G N -1.590 107.240 108.800 0.050 0.000 2.225 221 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.267 221 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.267 221 G C 1.195 176.133 174.900 0.063 0.000 1.024 221 G CA 0.634 45.778 45.100 0.073 0.000 0.784 221 G HN 1.245 nan 8.290 nan 0.000 0.507 222 G N -0.177 108.642 108.800 0.031 0.000 2.476 222 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.218 222 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.218 222 G C 1.441 176.328 174.900 -0.022 0.000 1.164 222 G CA 1.553 46.595 45.100 -0.096 0.000 0.768 222 G HN 0.487 nan 8.290 nan 0.000 0.560 223 F N 1.696 121.708 119.950 0.103 0.000 2.146 223 F HA 0.095 4.622 4.527 -0.000 0.000 0.298 223 F C 3.070 178.942 175.800 0.119 0.000 1.096 223 F CA 0.908 58.980 58.000 0.121 0.000 1.275 223 F CB -0.523 38.525 39.000 0.081 0.000 1.008 223 F HN 0.244 nan 8.300 nan 0.000 0.480 224 A N 0.595 123.562 122.820 0.244 0.000 1.892 224 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 224 A C 2.280 179.929 177.584 0.109 0.000 1.188 224 A CA 1.879 53.998 52.037 0.136 0.000 0.631 224 A CB -1.251 17.802 19.000 0.087 0.000 0.822 224 A HN 0.391 nan 8.150 nan 0.000 0.447 225 L N -1.359 119.904 121.223 0.066 0.000 2.021 225 L HA -0.279 4.061 4.340 -0.000 0.000 0.215 225 L C 2.699 179.549 176.870 -0.033 0.000 1.074 225 L CA 1.867 56.696 54.840 -0.020 0.000 0.760 225 L CB -1.088 40.904 42.059 -0.112 0.000 0.889 225 L HN 0.530 nan 8.230 nan 0.000 0.433 226 H N -0.321 118.789 119.070 0.067 0.000 2.389 226 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 226 H C 2.433 177.855 175.328 0.157 0.000 1.081 226 H CA 1.258 57.365 56.048 0.099 0.000 1.345 226 H CB 0.066 29.881 29.762 0.087 0.000 1.393 226 H HN 0.342 nan 8.280 nan 0.000 0.520 227 L N 0.336 121.727 121.223 0.279 0.000 2.156 227 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 227 L C 2.774 179.800 176.870 0.261 0.000 1.095 227 L CA 0.637 55.624 54.840 0.245 0.000 0.770 227 L CB -0.353 41.737 42.059 0.051 0.000 0.914 227 L HN 0.179 nan 8.230 nan 0.000 0.439 228 A N -0.021 122.903 122.820 0.173 0.000 2.131 228 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 228 A C 2.117 179.801 177.584 0.167 0.000 1.158 228 A CA 1.199 53.331 52.037 0.158 0.000 0.665 228 A CB -0.600 18.457 19.000 0.094 0.000 0.795 228 A HN 0.444 nan 8.150 nan 0.000 0.460 229 L N -1.981 119.347 121.223 0.174 0.000 2.418 229 L HA 0.066 4.405 4.340 -0.000 0.000 0.218 229 L C 2.192 179.157 176.870 0.158 0.000 1.125 229 L CA 0.868 55.791 54.840 0.140 0.000 0.835 229 L CB -0.212 41.919 42.059 0.121 0.000 0.953 229 L HN 0.471 nan 8.230 nan 0.000 0.454 230 G N -1.402 107.553 108.800 0.257 0.000 3.274 230 G HA2 0.213 4.173 3.960 -0.000 0.000 0.250 230 G HA3 0.213 4.173 3.960 -0.000 0.000 0.250 230 G C -0.037 174.909 174.900 0.077 0.000 1.024 230 G CA -0.100 45.109 45.100 0.181 0.000 0.840 230 G HN 0.001 nan 8.290 nan 0.000 0.522 231 F N -0.030 119.979 119.950 0.098 0.000 2.546 231 F HA 0.534 5.061 4.527 -0.000 0.000 0.320 231 F C 1.389 177.232 175.800 0.072 0.000 1.076 231 F CA -1.184 56.871 58.000 0.092 0.000 0.928 231 F CB 1.821 40.888 39.000 0.111 0.000 1.189 231 F HN -0.224 nan 8.300 nan 0.000 0.465 232 R N 0.377 121.001 120.500 0.206 0.000 2.081 232 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 232 R C 0.059 176.452 176.300 0.154 0.000 1.131 232 R CA 1.235 57.416 56.100 0.136 0.000 0.960 232 R CB 0.115 30.467 30.300 0.088 0.000 0.856 232 R HN 0.657 nan 8.270 nan 0.000 0.436 233 E N 0.341 120.663 120.200 0.203 0.000 2.292 233 E HA 0.324 4.674 4.350 -0.000 0.000 0.272 233 E C -1.711 174.991 176.600 0.170 0.000 0.881 233 E CA -0.503 55.994 56.400 0.161 0.000 0.754 233 E CB 2.222 31.997 29.700 0.126 0.000 1.201 233 E HN -0.204 nan 8.360 nan 0.000 0.425 234 V N 4.023 124.004 119.914 0.111 0.000 2.588 234 V HA 0.359 4.479 4.120 -0.000 0.000 0.304 234 V C -0.638 175.486 176.094 0.049 0.000 1.042 234 V CA -0.819 61.513 62.300 0.052 0.000 0.877 234 V CB 1.895 33.736 31.823 0.030 0.000 0.996 234 V HN 0.549 nan 8.190 nan 0.000 0.425 235 V N 4.182 124.114 119.914 0.030 0.000 2.313 235 V HA 0.645 4.765 4.120 -0.000 0.000 0.278 235 V C 0.526 176.600 176.094 -0.033 0.000 1.017 235 V CA -0.570 61.740 62.300 0.016 0.000 0.823 235 V CB 1.385 33.234 31.823 0.043 0.000 1.010 235 V HN 0.962 nan 8.190 nan 0.000 0.443 236 A N 5.461 128.272 122.820 -0.014 0.000 2.309 236 A HA 0.733 5.053 4.320 -0.000 0.000 0.290 236 A C -0.315 177.245 177.584 -0.039 0.000 1.206 236 A CA -0.257 51.770 52.037 -0.017 0.000 0.850 236 A CB 0.680 19.688 19.000 0.015 0.000 1.118 236 A HN 0.625 nan 8.150 nan 0.000 0.523 237 V N 3.149 123.016 119.914 -0.077 0.000 2.667 237 V HA 0.661 4.781 4.120 -0.000 0.000 0.308 237 V C -0.302 175.733 176.094 -0.098 0.000 1.048 237 V CA -0.469 61.765 62.300 -0.109 0.000 0.928 237 V CB 1.893 33.600 31.823 -0.194 0.000 1.004 237 V HN 1.036 nan 8.190 nan 0.000 0.444 238 D N 0.759 121.116 120.400 -0.071 0.000 2.720 238 D HA 0.118 4.758 4.640 -0.000 0.000 0.239 238 D C 0.472 176.774 176.300 0.004 0.000 1.218 238 D CA 0.180 54.171 54.000 -0.014 0.000 0.748 238 D CB 2.419 43.252 40.800 0.056 0.000 1.387 238 D HN 0.529 nan 8.370 nan 0.000 0.438 239 S N 0.293 116.022 115.700 0.049 0.000 2.527 239 S HA 0.064 4.534 4.470 -0.000 0.000 0.222 239 S C 0.843 175.477 174.600 0.056 0.000 0.985 239 S CA 0.100 58.333 58.200 0.055 0.000 0.921 239 S CB 0.164 63.420 63.200 0.093 0.000 0.772 239 S HN 0.241 nan 8.310 nan 0.000 0.529 240 S N 0.629 116.368 115.700 0.066 0.000 2.422 240 S HA 0.703 5.173 4.470 -0.000 0.000 0.308 240 S C 1.073 175.686 174.600 0.021 0.000 1.097 240 S CA -0.248 57.984 58.200 0.053 0.000 1.099 240 S CB 1.015 64.263 63.200 0.079 0.000 0.976 240 S HN 0.465 nan 8.310 nan 0.000 0.471 241 A N 4.298 127.126 122.820 0.013 0.000 1.902 241 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 241 A C 1.932 179.507 177.584 -0.014 0.000 1.181 241 A CA 1.902 53.939 52.037 -0.001 0.000 0.623 241 A CB -0.889 18.112 19.000 0.002 0.000 0.818 241 A HN 0.844 nan 8.150 nan 0.000 0.443 242 E N 0.489 120.682 120.200 -0.012 0.000 2.070 242 E HA -0.148 4.202 4.350 -0.000 0.000 0.197 242 E C 2.002 178.559 176.600 -0.071 0.000 1.004 242 E CA 1.885 58.267 56.400 -0.030 0.000 0.805 242 E CB -0.535 29.157 29.700 -0.013 0.000 0.744 242 E HN 0.481 nan 8.360 nan 0.000 0.451 243 A N 0.538 123.311 122.820 -0.078 0.000 1.845 243 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 243 A C 2.396 179.904 177.584 -0.125 0.000 1.195 243 A CA 1.598 53.534 52.037 -0.168 0.000 0.616 243 A CB -0.945 17.997 19.000 -0.098 0.000 0.832 243 A HN 0.348 nan 8.150 nan 0.000 0.443 244 L N -1.295 119.893 121.223 -0.058 0.000 2.187 244 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 244 L C 2.761 179.605 176.870 -0.044 0.000 1.100 244 L CA 1.518 56.334 54.840 -0.040 0.000 0.765 244 L CB -0.436 41.611 42.059 -0.019 0.000 0.904 244 L HN 0.402 nan 8.230 nan 0.000 0.437 245 R N 0.279 120.749 120.500 -0.049 0.000 2.066 245 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 245 R C 2.462 178.729 176.300 -0.054 0.000 1.131 245 R CA 1.280 57.354 56.100 -0.043 0.000 0.955 245 R CB -0.042 30.234 30.300 -0.040 0.000 0.851 245 R HN 0.224 nan 8.270 nan 0.000 0.432 246 R N -0.503 119.946 120.500 -0.086 0.000 2.115 246 R HA -0.021 4.318 4.340 -0.000 0.000 0.230 246 R C 2.194 178.450 176.300 -0.073 0.000 1.111 246 R CA 1.113 57.156 56.100 -0.095 0.000 0.976 246 R CB -0.268 29.935 30.300 -0.162 0.000 0.870 246 R HN 0.233 nan 8.270 nan 0.000 0.445 247 A N 1.537 124.314 122.820 -0.072 0.000 1.898 247 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 247 A C 1.911 179.483 177.584 -0.019 0.000 1.181 247 A CA 1.233 53.247 52.037 -0.039 0.000 0.620 247 A CB -0.263 18.720 19.000 -0.028 0.000 0.819 247 A HN 0.283 nan 8.150 nan 0.000 0.442 248 E N -0.691 119.497 120.200 -0.020 0.000 2.072 248 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 248 E C 2.069 178.663 176.600 -0.010 0.000 0.985 248 E CA 1.201 57.595 56.400 -0.010 0.000 0.801 248 E CB -0.134 29.560 29.700 -0.010 0.000 0.750 248 E HN 0.828 nan 8.360 nan 0.000 0.452 249 E N 0.915 121.105 120.200 -0.018 0.000 2.077 249 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 249 E C 1.841 178.437 176.600 -0.008 0.000 0.989 249 E CA 1.040 57.430 56.400 -0.016 0.000 0.800 249 E CB 0.098 29.784 29.700 -0.024 0.000 0.746 249 E HN 0.139 nan 8.360 nan 0.000 0.452 250 N N 0.402 119.100 118.700 -0.004 0.000 2.188 250 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 250 N C 1.738 177.253 175.510 0.009 0.000 1.018 250 N CA 1.152 54.210 53.050 0.013 0.000 0.858 250 N CB -0.285 38.217 38.487 0.026 0.000 0.989 250 N HN 0.256 nan 8.380 nan 0.000 0.426 251 A N 1.954 124.776 122.820 0.004 0.000 1.865 251 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 251 A C 2.280 179.868 177.584 0.006 0.000 1.191 251 A CA 1.245 53.286 52.037 0.007 0.000 0.623 251 A CB -0.510 18.496 19.000 0.010 0.000 0.826 251 A HN 0.236 nan 8.150 nan 0.000 0.444 252 R N -1.157 119.345 120.500 0.003 0.000 2.081 252 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 252 R C 2.065 178.365 176.300 0.001 0.000 1.131 252 R CA 1.390 57.492 56.100 0.002 0.000 0.960 252 R CB -0.600 29.700 30.300 -0.001 0.000 0.856 252 R HN 0.505 nan 8.270 nan 0.000 0.436 253 L N 1.413 122.635 121.223 -0.000 0.000 2.349 253 L HA -0.134 4.206 4.340 -0.000 0.000 0.220 253 L C 0.916 177.785 176.870 -0.000 0.000 1.130 253 L CA 1.758 56.597 54.840 -0.002 0.000 0.791 253 L CB -0.237 41.820 42.059 -0.003 0.000 0.918 253 L HN 0.159 nan 8.230 nan 0.000 0.444 254 N N -0.296 118.405 118.700 0.002 0.000 2.205 254 N HA 0.150 4.890 4.740 -0.000 0.000 0.201 254 N C 0.829 176.342 175.510 0.005 0.000 1.128 254 N CA 0.736 53.786 53.050 0.001 0.000 0.867 254 N CB 0.488 38.972 38.487 -0.005 0.000 0.996 254 N HN 0.381 nan 8.380 nan 0.000 0.503 255 G N 1.827 110.631 108.800 0.006 0.000 2.333 255 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.296 255 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.296 255 G C -0.404 174.505 174.900 0.014 0.000 1.059 255 G CA -0.009 45.096 45.100 0.009 0.000 1.050 255 G HN 0.240 nan 8.290 nan 0.000 0.508 256 L N 0.114 121.346 121.223 0.016 0.000 2.342 256 L HA 0.588 4.928 4.340 -0.000 0.000 0.276 256 L C 1.306 178.191 176.870 0.025 0.000 0.997 256 L CA -0.163 54.692 54.840 0.024 0.000 0.838 256 L CB 1.707 43.781 42.059 0.025 0.000 1.224 256 L HN 0.263 nan 8.230 nan 0.000 0.416 257 G N 1.295 110.112 108.800 0.028 0.000 3.126 257 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.224 257 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.224 257 G C 0.811 175.732 174.900 0.035 0.000 1.142 257 G CA -0.153 44.964 45.100 0.027 0.000 0.759 257 G HN 0.683 nan 8.290 nan 0.000 0.550 258 N N 0.500 119.228 118.700 0.046 0.000 2.270 258 N HA 0.039 4.779 4.740 -0.000 0.000 0.198 258 N C -0.199 175.349 175.510 0.063 0.000 1.117 258 N CA -0.068 53.017 53.050 0.059 0.000 0.845 258 N CB 0.621 39.154 38.487 0.076 0.000 0.980 258 N HN -0.001 nan 8.380 nan 0.000 0.486 259 V N 1.486 121.429 119.914 0.049 0.000 2.350 259 V HA 0.308 4.428 4.120 -0.000 0.000 0.276 259 V C -0.032 176.083 176.094 0.034 0.000 1.028 259 V CA -0.745 61.581 62.300 0.044 0.000 0.860 259 V CB 0.918 32.764 31.823 0.037 0.000 0.990 259 V HN 0.125 nan 8.190 nan 0.000 0.453 260 R N 4.271 124.792 120.500 0.036 0.000 2.310 260 R HA 0.582 4.922 4.340 -0.000 0.000 0.324 260 R C -0.494 175.817 176.300 0.018 0.000 0.955 260 R CA -0.435 55.682 56.100 0.028 0.000 0.830 260 R CB 1.434 31.757 30.300 0.037 0.000 1.154 260 R HN 0.662 nan 8.270 nan 0.000 0.458 261 V N 2.461 122.381 119.914 0.010 0.000 3.264 261 V HA 0.634 4.754 4.120 -0.000 0.000 0.304 261 V C -0.570 175.523 176.094 -0.002 0.000 1.086 261 V CA -0.701 61.599 62.300 0.001 0.000 1.090 261 V CB 1.259 33.080 31.823 -0.003 0.000 1.112 261 V HN 0.668 nan 8.190 nan 0.000 0.472 262 L N 1.496 122.712 121.223 -0.012 0.000 2.740 262 L HA 0.446 4.785 4.340 -0.000 0.000 0.250 262 L C -0.462 176.394 176.870 -0.024 0.000 0.997 262 L CA -0.297 54.534 54.840 -0.015 0.000 0.968 262 L CB 1.050 43.099 42.059 -0.017 0.000 1.248 262 L HN 1.026 nan 8.230 nan 0.000 0.476 263 E N 3.362 123.554 120.200 -0.014 0.000 2.493 263 E HA 0.534 4.884 4.350 -0.000 0.000 0.255 263 E C -0.476 176.114 176.600 -0.016 0.000 0.999 263 E CA 0.787 57.180 56.400 -0.012 0.000 0.934 263 E CB 0.558 30.257 29.700 -0.002 0.000 0.940 263 E HN 0.837 nan 8.360 nan 0.000 0.473 264 A N 4.568 127.374 122.820 -0.024 0.000 2.549 264 A HA 0.208 4.528 4.320 -0.000 0.000 0.291 264 A C -1.334 176.233 177.584 -0.027 0.000 1.034 264 A CA -0.864 51.158 52.037 -0.025 0.000 0.655 264 A CB 0.993 19.969 19.000 -0.039 0.000 1.299 264 A HN 0.656 nan 8.150 nan 0.000 0.427 265 N N 1.026 119.724 118.700 -0.003 0.000 2.406 265 N HA 0.366 5.106 4.740 -0.000 0.000 0.251 265 N C 1.174 176.688 175.510 0.007 0.000 1.069 265 N CA 0.474 53.547 53.050 0.038 0.000 0.947 265 N CB 1.599 40.124 38.487 0.063 0.000 1.111 265 N HN 0.895 nan 8.380 nan 0.000 0.497 266 A N 4.847 127.628 122.820 -0.065 0.000 1.884 266 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 266 A C 1.607 179.108 177.584 -0.139 0.000 1.197 266 A CA 1.391 53.268 52.037 -0.266 0.000 0.637 266 A CB -0.842 17.713 19.000 -0.743 0.000 0.827 266 A HN 0.713 nan 8.150 nan 0.000 0.450 267 F N 0.631 120.552 119.950 -0.049 0.000 2.126 267 F HA -0.188 4.339 4.527 -0.000 0.000 0.299 267 F C 2.194 177.967 175.800 -0.045 0.000 1.096 267 F CA 1.711 59.692 58.000 -0.033 0.000 1.255 267 F CB -0.463 38.517 39.000 -0.033 0.000 0.997 267 F HN 0.230 nan 8.300 nan 0.000 0.479 268 D N -0.060 120.428 120.400 0.147 0.000 2.091 268 D HA -0.112 4.528 4.640 -0.000 0.000 0.199 268 D C 2.318 178.628 176.300 0.016 0.000 0.980 268 D CA 0.815 54.853 54.000 0.064 0.000 0.831 268 D CB -0.935 39.892 40.800 0.045 0.000 0.987 268 D HN 0.154 nan 8.370 nan 0.000 0.460 269 L N 1.067 122.283 121.223 -0.011 0.000 2.021 269 L HA -0.191 4.149 4.340 -0.000 0.000 0.215 269 L C 2.169 179.012 176.870 -0.046 0.000 1.074 269 L CA 1.535 56.353 54.840 -0.037 0.000 0.760 269 L CB -0.641 41.373 42.059 -0.075 0.000 0.889 269 L HN 0.020 nan 8.230 nan 0.000 0.433 270 L N -0.972 120.205 121.223 -0.077 0.000 2.017 270 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 270 L C 2.832 179.682 176.870 -0.033 0.000 1.073 270 L CA 1.157 55.947 54.840 -0.083 0.000 0.745 270 L CB -0.672 41.310 42.059 -0.129 0.000 0.894 270 L HN 0.272 nan 8.230 nan 0.000 0.432 271 R N -0.090 120.401 120.500 -0.015 0.000 2.105 271 R HA -0.155 4.185 4.340 -0.000 0.000 0.239 271 R C 2.282 178.585 176.300 0.005 0.000 1.135 271 R CA 1.215 57.315 56.100 0.000 0.000 0.967 271 R CB -0.572 29.735 30.300 0.013 0.000 0.861 271 R HN 0.415 nan 8.270 nan 0.000 0.442 272 R N 0.445 120.948 120.500 0.006 0.000 2.062 272 R HA 0.028 4.368 4.340 -0.000 0.000 0.231 272 R C 2.473 178.789 176.300 0.026 0.000 1.136 272 R CA 0.993 57.100 56.100 0.013 0.000 0.948 272 R CB -0.316 29.990 30.300 0.010 0.000 0.845 272 R HN 0.138 nan 8.270 nan 0.000 0.430 273 L N 0.529 121.774 121.223 0.037 0.000 2.187 273 L HA -0.205 4.135 4.340 -0.000 0.000 0.213 273 L C 2.508 179.425 176.870 0.078 0.000 1.100 273 L CA 1.297 56.189 54.840 0.086 0.000 0.765 273 L CB -0.483 41.661 42.059 0.141 0.000 0.904 273 L HN 0.397 nan 8.230 nan 0.000 0.437 274 E N 0.771 120.999 120.200 0.046 0.000 2.016 274 E HA -0.210 4.139 4.350 -0.000 0.000 0.190 274 E C 2.154 178.767 176.600 0.022 0.000 0.985 274 E CA 1.004 57.424 56.400 0.034 0.000 0.802 274 E CB 0.137 29.845 29.700 0.013 0.000 0.762 274 E HN 0.367 nan 8.360 nan 0.000 0.448 275 K N 0.400 120.809 120.400 0.015 0.000 2.113 275 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 275 K C 1.954 178.561 176.600 0.012 0.000 1.047 275 K CA 1.624 57.917 56.287 0.010 0.000 0.928 275 K CB -0.069 32.435 32.500 0.007 0.000 0.716 275 K HN 0.182 nan 8.250 nan 0.000 0.446 276 E N -0.770 119.441 120.200 0.018 0.000 2.511 276 E HA -0.026 4.324 4.350 -0.000 0.000 0.196 276 E C 0.759 177.366 176.600 0.011 0.000 1.066 276 E CA 0.334 56.743 56.400 0.015 0.000 0.871 276 E CB 0.257 29.970 29.700 0.021 0.000 0.863 276 E HN 0.510 nan 8.360 nan 0.000 0.520 277 G N 1.540 110.350 108.800 0.016 0.000 2.148 277 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.254 277 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.254 277 G C -0.007 174.893 174.900 0.000 0.000 0.981 277 G CA -0.031 45.074 45.100 0.008 0.000 0.670 277 G HN 0.137 nan 8.290 nan 0.000 0.528 278 E N 0.266 120.477 120.200 0.020 0.000 2.398 278 E HA 0.495 4.845 4.350 -0.000 0.000 0.263 278 E C 0.802 177.400 176.600 -0.003 0.000 1.046 278 E CA 0.212 56.598 56.400 -0.022 0.000 0.908 278 E CB 0.620 30.362 29.700 0.070 0.000 0.963 278 E HN 0.364 nan 8.360 nan 0.000 0.431 279 R N 1.463 121.836 120.500 -0.212 0.000 2.698 279 R HA 0.511 4.851 4.340 -0.000 0.000 0.275 279 R C -0.764 175.314 176.300 -0.370 0.000 1.001 279 R CA -0.708 55.346 56.100 -0.077 0.000 0.896 279 R CB 0.872 31.153 30.300 -0.031 0.000 1.218 279 R HN 0.310 nan 8.270 nan 0.000 0.462 280 F N -0.497 119.468 119.950 0.025 0.000 2.631 280 F HA 0.339 4.866 4.527 -0.000 0.000 0.328 280 F C 1.099 176.946 175.800 0.079 0.000 1.067 280 F CA -0.918 57.111 58.000 0.047 0.000 0.969 280 F CB 1.174 40.183 39.000 0.015 0.000 1.332 280 F HN 0.378 nan 8.300 nan 0.000 0.490 281 D N 0.351 120.951 120.400 0.333 0.000 2.346 281 D HA 0.213 4.853 4.640 -0.000 0.000 0.206 281 D C -0.532 175.956 176.300 0.313 0.000 1.001 281 D CA 0.935 55.128 54.000 0.322 0.000 0.871 281 D CB 0.662 41.724 40.800 0.437 0.000 0.943 281 D HN 0.244 nan 8.370 nan 0.000 0.518 282 L N -0.206 121.155 121.223 0.230 0.000 2.591 282 L HA 0.418 4.758 4.340 -0.000 0.000 0.257 282 L C -2.015 174.802 176.870 -0.087 0.000 0.935 282 L CA -0.602 54.260 54.840 0.036 0.000 0.873 282 L CB 1.961 43.989 42.059 -0.052 0.000 1.397 282 L HN -0.386 nan 8.230 nan 0.000 0.414 283 V N 4.516 124.355 119.914 -0.125 0.000 2.623 283 V HA 0.544 4.664 4.120 -0.000 0.000 0.304 283 V C -0.639 175.343 176.094 -0.187 0.000 1.054 283 V CA -0.556 61.631 62.300 -0.189 0.000 0.882 283 V CB 2.253 33.971 31.823 -0.176 0.000 1.002 283 V HN 0.473 nan 8.190 nan 0.000 0.424 284 V N 6.003 125.792 119.914 -0.209 0.000 2.483 284 V HA 0.557 4.677 4.120 -0.000 0.000 0.295 284 V C -0.308 175.692 176.094 -0.156 0.000 1.035 284 V CA -0.619 61.536 62.300 -0.241 0.000 0.896 284 V CB 1.825 33.441 31.823 -0.345 0.000 0.986 284 V HN 0.623 nan 8.190 nan 0.000 0.447 285 L N 3.650 124.796 121.223 -0.129 0.000 2.388 285 L HA 0.490 4.830 4.340 -0.000 0.000 0.267 285 L C -0.826 176.025 176.870 -0.032 0.000 0.995 285 L CA -0.159 54.694 54.840 0.022 0.000 0.864 285 L CB 1.619 43.697 42.059 0.032 0.000 1.216 285 L HN 0.644 nan 8.230 nan 0.000 0.430 286 D N 4.429 124.842 120.400 0.021 0.000 2.863 286 D HA 0.302 4.942 4.640 -0.000 0.000 0.323 286 D C -2.424 173.742 176.300 -0.223 0.000 1.286 286 D CA -1.810 52.162 54.000 -0.047 0.000 0.921 286 D CB 0.963 41.792 40.800 0.048 0.000 1.024 286 D HN 0.124 nan 8.370 nan 0.000 0.505 287 P HA 0.244 nan 4.420 nan 0.000 0.272 287 P C -2.654 174.201 177.300 -0.742 0.000 1.230 287 P CA -1.082 61.332 63.100 -1.144 0.000 0.788 287 P CB 0.297 31.316 31.700 -1.134 0.000 0.949 288 P HA 0.260 nan 4.420 nan 0.000 0.284 288 P C -0.825 176.089 177.300 -0.643 0.000 1.258 288 P CA -0.570 62.235 63.100 -0.491 0.000 0.824 288 P CB 0.525 32.065 31.700 -0.266 0.000 1.038 289 A N 2.184 124.795 122.820 -0.347 0.000 2.573 289 A HA -0.039 4.281 4.320 -0.000 0.000 0.250 289 A C 0.487 177.984 177.584 -0.145 0.000 1.049 289 A CA 0.563 52.485 52.037 -0.192 0.000 0.767 289 A CB -1.139 17.843 19.000 -0.030 0.000 0.965 289 A HN 0.612 nan 8.150 nan 0.000 0.514 290 F N 1.783 121.753 119.950 0.034 0.000 2.698 290 F HA 0.250 4.777 4.527 -0.000 0.000 0.295 290 F C 1.561 177.368 175.800 0.012 0.000 1.124 290 F CA 0.591 58.569 58.000 -0.036 0.000 1.426 290 F CB 0.334 39.234 39.000 -0.166 0.000 1.120 290 F HN 0.623 nan 8.300 nan 0.000 0.583 291 A N 0.584 123.543 122.820 0.231 0.000 2.318 291 A HA 0.466 4.786 4.320 -0.000 0.000 0.324 291 A C 0.358 177.901 177.584 -0.069 0.000 1.170 291 A CA -0.625 51.443 52.037 0.053 0.000 0.810 291 A CB 0.788 19.811 19.000 0.039 0.000 1.198 291 A HN 0.297 nan 8.150 nan 0.000 0.484 292 K N 1.540 121.845 120.400 -0.157 0.000 2.399 292 K HA 0.415 4.735 4.320 -0.000 0.000 0.204 292 K C 0.442 176.900 176.600 -0.238 0.000 1.023 292 K CA 0.489 56.724 56.287 -0.087 0.000 1.127 292 K CB 0.898 33.393 32.500 -0.007 0.000 0.856 292 K HN 0.916 nan 8.250 nan 0.000 0.514 293 G N 0.522 108.922 108.800 -0.667 0.000 2.377 293 G HA2 0.030 3.990 3.960 -0.000 0.000 0.297 293 G HA3 0.030 3.990 3.960 -0.000 0.000 0.297 293 G C -0.449 174.262 174.900 -0.315 0.000 1.547 293 G CA -0.868 43.978 45.100 -0.424 0.000 0.833 293 G HN -0.089 nan 8.290 nan 0.000 0.583 294 K N -0.020 120.379 120.400 -0.001 0.000 2.189 294 K HA -0.265 4.055 4.320 -0.000 0.000 0.207 294 K C 2.557 179.164 176.600 0.011 0.000 1.046 294 K CA 2.063 58.391 56.287 0.068 0.000 0.928 294 K CB -0.098 32.455 32.500 0.088 0.000 0.720 294 K HN 0.638 nan 8.250 nan 0.000 0.458 295 K N 0.839 121.226 120.400 -0.021 0.000 2.002 295 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 295 K C 1.402 177.993 176.600 -0.015 0.000 1.048 295 K CA 1.837 58.115 56.287 -0.016 0.000 0.930 295 K CB -0.245 32.242 32.500 -0.021 0.000 0.714 295 K HN 0.035 nan 8.250 nan 0.000 0.438 296 D N 1.326 121.700 120.400 -0.043 0.000 2.263 296 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 296 D C 2.125 178.453 176.300 0.047 0.000 0.971 296 D CA 1.000 54.991 54.000 -0.014 0.000 0.867 296 D CB -0.140 40.636 40.800 -0.041 0.000 0.929 296 D HN 0.083 nan 8.370 nan 0.000 0.492 297 V N 1.610 121.560 119.914 0.060 0.000 2.252 297 V HA -0.353 3.767 4.120 -0.000 0.000 0.255 297 V C 2.527 178.718 176.094 0.163 0.000 1.071 297 V CA 2.258 64.647 62.300 0.148 0.000 1.050 297 V CB -0.652 31.254 31.823 0.138 0.000 0.654 297 V HN 0.156 nan 8.190 nan 0.000 0.448 298 E N 0.932 121.187 120.200 0.091 0.000 2.045 298 E HA -0.272 4.078 4.350 -0.000 0.000 0.212 298 E C 2.300 178.969 176.600 0.116 0.000 1.039 298 E CA 2.194 58.638 56.400 0.073 0.000 0.860 298 E CB -0.462 29.255 29.700 0.028 0.000 0.776 298 E HN 0.562 nan 8.360 nan 0.000 0.467 299 R N 0.103 120.645 120.500 0.071 0.000 2.120 299 R HA -0.050 4.290 4.340 -0.000 0.000 0.234 299 R C 2.439 178.780 176.300 0.068 0.000 1.123 299 R CA 1.071 57.198 56.100 0.045 0.000 0.975 299 R CB -0.603 29.691 30.300 -0.009 0.000 0.866 299 R HN 0.304 nan 8.270 nan 0.000 0.446 300 A N 1.237 124.139 122.820 0.137 0.000 1.865 300 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 300 A C 2.032 179.826 177.584 0.349 0.000 1.191 300 A CA 1.405 53.580 52.037 0.229 0.000 0.623 300 A CB -0.943 18.275 19.000 0.363 0.000 0.826 300 A HN 0.419 nan 8.150 nan 0.000 0.444 301 Y N 0.739 121.186 120.300 0.245 0.000 2.069 301 Y HA -0.328 4.222 4.550 -0.000 0.000 0.278 301 Y C 2.606 178.609 175.900 0.172 0.000 1.175 301 Y CA 2.526 60.764 58.100 0.230 0.000 1.134 301 Y CB -0.234 38.301 38.460 0.125 0.000 0.965 301 Y HN 0.293 nan 8.280 nan 0.000 0.498 302 R N -0.342 120.318 120.500 0.266 0.000 2.096 302 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 302 R C 2.511 178.829 176.300 0.029 0.000 1.127 302 R CA 0.980 57.158 56.100 0.130 0.000 0.968 302 R CB -0.629 29.733 30.300 0.102 0.000 0.861 302 R HN 0.442 nan 8.270 nan 0.000 0.440 303 A N 0.601 123.397 122.820 -0.039 0.000 1.877 303 A HA -0.178 4.141 4.320 -0.000 0.000 0.216 303 A C 1.851 179.397 177.584 -0.065 0.000 1.186 303 A CA 1.147 53.085 52.037 -0.166 0.000 0.620 303 A CB -0.718 17.889 19.000 -0.656 0.000 0.822 303 A HN 0.313 nan 8.150 nan 0.000 0.443 304 Y N -0.190 120.126 120.300 0.027 0.000 2.181 304 Y HA -0.217 4.332 4.550 -0.000 0.000 0.288 304 Y C 2.509 178.348 175.900 -0.101 0.000 1.146 304 Y CA 1.994 60.123 58.100 0.048 0.000 1.164 304 Y CB -0.127 38.346 38.460 0.022 0.000 0.982 304 Y HN 0.334 nan 8.280 nan 0.000 0.515 305 K N 0.450 120.833 120.400 -0.028 0.000 2.032 305 K HA -0.272 4.048 4.320 -0.000 0.000 0.209 305 K C 2.089 178.661 176.600 -0.047 0.000 1.048 305 K CA 1.824 58.047 56.287 -0.107 0.000 0.927 305 K CB -0.123 32.302 32.500 -0.125 0.000 0.712 305 K HN 0.108 nan 8.250 nan 0.000 0.441 306 E N 0.506 120.707 120.200 0.002 0.000 2.038 306 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 306 E C 1.772 178.357 176.600 -0.025 0.000 1.000 306 E CA 2.041 58.455 56.400 0.025 0.000 0.803 306 E CB -0.431 29.339 29.700 0.117 0.000 0.750 306 E HN 0.183 nan 8.360 nan 0.000 0.448 307 V N 1.663 121.530 119.914 -0.078 0.000 2.295 307 V HA -0.259 3.860 4.120 -0.000 0.000 0.246 307 V C 2.321 178.353 176.094 -0.102 0.000 1.049 307 V CA 2.073 64.256 62.300 -0.194 0.000 1.024 307 V CB -0.810 30.849 31.823 -0.273 0.000 0.648 307 V HN 0.314 nan 8.190 nan 0.000 0.447 308 N N 0.182 118.843 118.700 -0.065 0.000 2.069 308 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 308 N C 1.849 177.299 175.510 -0.099 0.000 1.031 308 N CA 1.701 54.699 53.050 -0.087 0.000 0.852 308 N CB -0.363 38.049 38.487 -0.126 0.000 1.018 308 N HN 0.384 nan 8.380 nan 0.000 0.423 309 L N 2.351 123.520 121.223 -0.090 0.000 1.990 309 L HA -0.153 4.187 4.340 -0.000 0.000 0.213 309 L C 2.201 179.029 176.870 -0.070 0.000 1.072 309 L CA 1.724 56.516 54.840 -0.080 0.000 0.755 309 L CB -0.650 41.371 42.059 -0.063 0.000 0.889 309 L HN 0.005 nan 8.230 nan 0.000 0.432 310 R N 0.272 120.731 120.500 -0.068 0.000 2.083 310 R HA -0.068 4.272 4.340 -0.000 0.000 0.237 310 R C 2.277 178.537 176.300 -0.067 0.000 1.137 310 R CA 1.527 57.589 56.100 -0.063 0.000 0.951 310 R CB -1.657 28.600 30.300 -0.072 0.000 0.851 310 R HN 0.568 nan 8.270 nan 0.000 0.434 311 A N 1.497 124.265 122.820 -0.087 0.000 1.892 311 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 311 A C 2.387 179.936 177.584 -0.058 0.000 1.188 311 A CA 1.745 53.728 52.037 -0.090 0.000 0.631 311 A CB -0.692 18.251 19.000 -0.094 0.000 0.822 311 A HN 0.257 nan 8.150 nan 0.000 0.447 312 I N -0.664 119.870 120.570 -0.061 0.000 2.208 312 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 312 I C 2.355 178.460 176.117 -0.019 0.000 1.097 312 I CA 1.811 63.084 61.300 -0.046 0.000 1.363 312 I CB -0.382 37.575 38.000 -0.071 0.000 1.051 312 I HN 0.289 nan 8.210 nan 0.000 0.413 313 K N 0.648 121.033 120.400 -0.025 0.000 2.360 313 K HA -0.075 4.245 4.320 -0.000 0.000 0.201 313 K C 1.850 178.465 176.600 0.024 0.000 1.046 313 K CA 0.996 57.278 56.287 -0.010 0.000 0.945 313 K CB -0.048 32.438 32.500 -0.024 0.000 0.750 313 K HN 0.382 nan 8.250 nan 0.000 0.464 314 L N 0.719 121.966 121.223 0.040 0.000 2.509 314 L HA 0.092 4.432 4.340 -0.000 0.000 0.222 314 L C 0.591 177.562 176.870 0.169 0.000 1.123 314 L CA -0.087 54.825 54.840 0.121 0.000 0.856 314 L CB 0.031 42.163 42.059 0.121 0.000 0.985 314 L HN 0.080 nan 8.230 nan 0.000 0.456 315 L N 0.557 121.841 121.223 0.101 0.000 2.371 315 L HA 0.171 4.511 4.340 -0.000 0.000 0.272 315 L C 0.527 177.450 176.870 0.088 0.000 1.124 315 L CA -0.059 54.847 54.840 0.111 0.000 0.816 315 L CB 0.903 43.006 42.059 0.073 0.000 1.129 315 L HN 0.029 nan 8.230 nan 0.000 0.448 316 K N 1.516 121.973 120.400 0.095 0.000 2.120 316 K HA 0.100 4.420 4.320 -0.000 0.000 0.245 316 K C -0.093 176.545 176.600 0.063 0.000 1.024 316 K CA -0.469 55.858 56.287 0.066 0.000 0.906 316 K CB 0.520 33.057 32.500 0.062 0.000 1.051 316 K HN 0.482 nan 8.250 nan 0.000 0.491 317 E N 0.031 120.261 120.200 0.050 0.000 2.415 317 E HA 0.002 4.352 4.350 -0.000 0.000 0.260 317 E C 0.430 177.066 176.600 0.059 0.000 1.016 317 E CA 0.800 57.229 56.400 0.049 0.000 0.924 317 E CB 0.015 29.738 29.700 0.038 0.000 0.961 317 E HN 0.724 nan 8.360 nan 0.000 0.459 318 G N 2.890 111.731 108.800 0.068 0.000 2.175 318 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.244 318 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.244 318 G C 0.490 175.453 174.900 0.105 0.000 0.982 318 G CA -0.218 44.931 45.100 0.082 0.000 0.641 318 G HN 0.880 nan 8.290 nan 0.000 0.527 319 G N -0.426 108.436 108.800 0.103 0.000 2.636 319 G HA2 0.506 4.466 3.960 -0.000 0.000 0.246 319 G HA3 0.506 4.466 3.960 -0.000 0.000 0.246 319 G C 0.063 175.030 174.900 0.113 0.000 1.216 319 G CA -0.221 44.952 45.100 0.121 0.000 0.854 319 G HN 0.404 nan 8.290 nan 0.000 0.572 320 I N 0.471 121.102 120.570 0.102 0.000 2.441 320 I HA 0.354 4.524 4.170 -0.000 0.000 0.295 320 I C -0.563 175.549 176.117 -0.009 0.000 0.994 320 I CA -0.704 60.622 61.300 0.043 0.000 1.144 320 I CB 1.527 39.498 38.000 -0.047 0.000 1.314 320 I HN 0.266 nan 8.210 nan 0.000 0.445 321 L N 6.089 127.318 121.223 0.010 0.000 2.349 321 L HA 0.763 5.103 4.340 -0.000 0.000 0.278 321 L C -0.455 176.378 176.870 -0.062 0.000 0.996 321 L CA -0.210 54.624 54.840 -0.009 0.000 0.825 321 L CB 1.489 43.582 42.059 0.057 0.000 1.243 321 L HN 0.661 nan 8.230 nan 0.000 0.412 322 A N 3.477 126.192 122.820 -0.175 0.000 2.293 322 A HA 0.692 5.012 4.320 -0.000 0.000 0.312 322 A C -0.348 177.035 177.584 -0.336 0.000 1.309 322 A CA -0.334 51.495 52.037 -0.346 0.000 0.839 322 A CB 0.832 19.659 19.000 -0.287 0.000 1.155 322 A HN 0.681 nan 8.150 nan 0.000 0.501 323 T N 0.968 115.335 114.554 -0.312 0.000 2.908 323 T HA 0.832 5.182 4.350 -0.000 0.000 0.290 323 T C -0.273 174.370 174.700 -0.096 0.000 1.034 323 T CA 0.344 62.371 62.100 -0.123 0.000 1.010 323 T CB 1.392 70.267 68.868 0.012 0.000 1.068 323 T HN 1.768 nan 8.240 nan 0.000 0.481 324 A N 1.828 124.661 122.820 0.022 0.000 2.568 324 A HA 0.902 5.222 4.320 -0.000 0.000 0.291 324 A C -0.789 176.661 177.584 -0.224 0.000 1.159 324 A CA -0.640 51.320 52.037 -0.129 0.000 0.679 324 A CB 1.503 20.510 19.000 0.012 0.000 1.285 324 A HN 1.164 nan 8.150 nan 0.000 0.428 325 S N -1.445 113.935 115.700 -0.533 0.000 2.563 325 S HA 0.421 4.891 4.470 -0.000 0.000 0.279 325 S C -0.296 174.062 174.600 -0.404 0.000 1.155 325 S CA 0.040 57.960 58.200 -0.467 0.000 0.928 325 S CB 0.824 63.556 63.200 -0.780 0.000 1.107 325 S HN 2.113 nan 8.310 nan 0.000 0.462 326 C N 2.496 121.647 119.300 -0.247 0.000 2.994 326 C HA 0.645 5.105 4.460 -0.000 0.000 0.284 326 C C 0.953 175.830 174.990 -0.188 0.000 1.404 326 C CA -0.250 58.672 59.018 -0.161 0.000 1.775 326 C CB -1.529 26.149 27.740 -0.104 0.000 2.458 326 C HN 0.712 nan 8.230 nan 0.000 0.593 327 S N 0.127 115.721 115.700 -0.177 0.000 2.565 327 S HA 0.301 4.771 4.470 -0.000 0.000 0.274 327 S C 1.205 175.698 174.600 -0.179 0.000 1.309 327 S CA -0.151 57.992 58.200 -0.095 0.000 1.043 327 S CB 0.276 63.554 63.200 0.130 0.000 0.939 327 S HN 0.642 nan 8.310 nan 0.000 0.504 328 H N 3.179 122.186 119.070 -0.104 0.000 2.395 328 H HA 0.015 4.571 4.556 -0.000 0.000 0.299 328 H C 0.413 175.612 175.328 -0.215 0.000 1.070 328 H CA 1.159 57.083 56.048 -0.208 0.000 1.356 328 H CB -0.195 29.355 29.762 -0.352 0.000 1.401 328 H HN 0.700 nan 8.280 nan 0.000 0.524 332 E N 0.689 120.978 120.200 0.147 0.000 2.070 332 E HA -0.068 4.282 4.350 -0.000 0.000 0.197 332 E C -1.001 175.813 176.600 0.357 0.000 1.004 332 E CA 1.919 58.474 56.400 0.259 0.000 0.805 332 E CB -0.872 29.034 29.700 0.343 0.000 0.744 332 E HN 0.549 nan 8.360 nan 0.000 0.451 333 P HA -0.177 nan 4.420 nan 0.000 0.215 333 P C 1.300 178.740 177.300 0.235 0.000 1.157 333 P CA 1.224 64.471 63.100 0.245 0.000 0.868 333 P CB -0.034 31.762 31.700 0.160 0.000 0.788 334 L N -2.567 118.782 121.223 0.210 0.000 2.046 334 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 334 L C 2.404 179.396 176.870 0.202 0.000 1.077 334 L CA 1.294 56.286 54.840 0.253 0.000 0.747 334 L CB -0.850 41.369 42.059 0.267 0.000 0.896 334 L HN -0.075 nan 8.230 nan 0.000 0.432 335 F N -0.134 119.783 119.950 -0.055 0.000 2.065 335 F HA -0.318 4.209 4.527 -0.000 0.000 0.298 335 F C 2.286 177.890 175.800 -0.326 0.000 1.112 335 F CA 1.726 59.548 58.000 -0.296 0.000 1.212 335 F CB -0.512 38.219 39.000 -0.448 0.000 0.975 335 F HN -0.025 nan 8.300 nan 0.000 0.476 336 Y N 0.321 120.606 120.300 -0.024 0.000 2.293 336 Y HA 0.145 4.695 4.550 -0.000 0.000 0.291 336 Y C 1.929 177.765 175.900 -0.106 0.000 1.137 336 Y CA 0.266 58.311 58.100 -0.091 0.000 1.202 336 Y CB -1.358 37.150 38.460 0.080 0.000 0.990 336 Y HN 0.122 nan 8.280 nan 0.000 0.537 340 A N 0.628 123.308 122.820 -0.234 0.000 1.883 340 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 340 A C 1.897 179.420 177.584 -0.102 0.000 1.186 340 A CA 2.359 54.306 52.037 -0.149 0.000 0.624 340 A CB -0.467 18.496 19.000 -0.061 0.000 0.822 340 A HN 0.667 nan 8.150 nan 0.000 0.444 341 E N -0.315 119.845 120.200 -0.068 0.000 2.070 341 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 341 E C 2.388 178.956 176.600 -0.052 0.000 1.004 341 E CA 1.107 57.492 56.400 -0.024 0.000 0.805 341 E CB -0.349 29.370 29.700 0.031 0.000 0.744 341 E HN 0.622 nan 8.360 nan 0.000 0.451 342 A N 1.697 124.451 122.820 -0.111 0.000 1.865 342 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 342 A C 2.460 179.984 177.584 -0.100 0.000 1.191 342 A CA 2.102 54.071 52.037 -0.114 0.000 0.623 342 A CB -0.843 18.058 19.000 -0.166 0.000 0.826 342 A HN 0.314 nan 8.150 nan 0.000 0.444 343 A N -0.756 121.981 122.820 -0.138 0.000 1.883 343 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 343 A C 2.146 179.708 177.584 -0.035 0.000 1.186 343 A CA 1.885 53.853 52.037 -0.115 0.000 0.624 343 A CB -0.705 18.188 19.000 -0.178 0.000 0.822 343 A HN 0.696 nan 8.150 nan 0.000 0.444 344 Q N -0.415 119.373 119.800 -0.021 0.000 2.030 344 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 344 Q C 1.632 177.716 176.000 0.140 0.000 0.986 344 Q CA 1.502 57.328 55.803 0.039 0.000 0.843 344 Q CB -0.368 28.381 28.738 0.019 0.000 0.904 344 Q HN 0.611 nan 8.270 nan 0.000 0.420 345 D N 0.539 120.984 120.400 0.076 0.000 2.182 345 D HA -0.133 4.506 4.640 -0.000 0.000 0.201 345 D C 1.423 177.689 176.300 -0.057 0.000 0.986 345 D CA 1.318 55.353 54.000 0.059 0.000 0.847 345 D CB -0.095 40.703 40.800 -0.004 0.000 0.942 345 D HN 0.277 nan 8.370 nan 0.000 0.467 346 A N -0.112 122.685 122.820 -0.039 0.000 2.238 346 A HA -0.045 4.275 4.320 -0.000 0.000 0.208 346 A C 0.046 177.623 177.584 -0.012 0.000 1.177 346 A CA 0.075 52.054 52.037 -0.096 0.000 0.804 346 A CB -0.884 18.078 19.000 -0.062 0.000 0.823 346 A HN 0.433 nan 8.150 nan 0.000 0.482 347 H N -0.687 118.366 119.070 -0.027 0.000 2.626 347 H HA -0.141 4.415 4.556 -0.000 0.000 0.317 347 H C -0.290 175.026 175.328 -0.021 0.000 1.140 347 H CA 0.316 56.352 56.048 -0.021 0.000 1.134 347 H CB -1.062 28.693 29.762 -0.013 0.000 1.486 347 H HN 0.484 nan 8.280 nan 0.000 0.417 348 R N 0.674 121.223 120.500 0.081 0.000 2.673 348 R HA 0.327 4.667 4.340 -0.000 0.000 0.281 348 R C -0.799 175.504 176.300 0.004 0.000 0.991 348 R CA -1.330 54.790 56.100 0.033 0.000 0.896 348 R CB 2.276 32.585 30.300 0.014 0.000 1.201 348 R HN -0.005 nan 8.270 nan 0.000 0.457 349 L N 4.335 125.563 121.223 0.009 0.000 2.281 349 L HA 0.388 4.728 4.340 -0.000 0.000 0.285 349 L C -0.925 175.949 176.870 0.008 0.000 1.074 349 L CA 0.089 54.931 54.840 0.004 0.000 0.817 349 L CB 0.541 42.609 42.059 0.015 0.000 1.168 349 L HN 0.436 nan 8.230 nan 0.000 0.434 350 L N 5.649 126.867 121.223 -0.010 0.000 2.333 350 L HA 0.579 4.919 4.340 -0.000 0.000 0.280 350 L C -0.009 176.923 176.870 0.102 0.000 1.004 350 L CA -0.760 54.094 54.840 0.023 0.000 0.820 350 L CB 1.641 43.630 42.059 -0.116 0.000 1.247 350 L HN 0.608 nan 8.230 nan 0.000 0.416 351 R N 2.164 122.760 120.500 0.160 0.000 2.368 351 R HA 0.504 4.844 4.340 -0.000 0.000 0.302 351 R C -0.971 175.486 176.300 0.261 0.000 1.002 351 R CA -0.587 55.613 56.100 0.167 0.000 0.929 351 R CB 1.624 31.997 30.300 0.121 0.000 1.073 351 R HN 0.440 nan 8.270 nan 0.000 0.464 352 V N 5.822 125.871 119.914 0.225 0.000 2.521 352 V HA -0.003 4.116 4.120 -0.000 0.000 0.286 352 V C 1.024 177.139 176.094 0.034 0.000 1.034 352 V CA 0.041 62.425 62.300 0.141 0.000 1.045 352 V CB 1.400 33.271 31.823 0.081 0.000 0.974 352 V HN 0.765 nan 8.190 nan 0.000 0.480 353 V N 3.627 123.514 119.914 -0.045 0.000 2.949 353 V HA 0.245 4.365 4.120 -0.000 0.000 0.245 353 V C 0.649 176.748 176.094 0.008 0.000 1.086 353 V CA 0.850 63.175 62.300 0.043 0.000 1.097 353 V CB -0.004 31.901 31.823 0.136 0.000 0.762 353 V HN 0.971 nan 8.190 nan 0.000 0.470 354 E N -0.534 119.585 120.200 -0.136 0.000 2.745 354 E HA 0.223 4.573 4.350 -0.000 0.000 0.306 354 E C -1.499 174.973 176.600 -0.213 0.000 1.090 354 E CA -0.485 55.831 56.400 -0.140 0.000 0.893 354 E CB 1.463 31.092 29.700 -0.118 0.000 1.205 354 E HN 0.160 nan 8.360 nan 0.000 0.438 355 K N 3.496 123.816 120.400 -0.134 0.000 2.213 355 K HA 0.545 4.865 4.320 -0.000 0.000 0.270 355 K C -0.292 176.303 176.600 -0.009 0.000 1.002 355 K CA -0.473 55.781 56.287 -0.054 0.000 0.868 355 K CB 1.705 34.155 32.500 -0.084 0.000 1.093 355 K HN 0.348 nan 8.250 nan 0.000 0.454 356 R N 0.329 120.864 120.500 0.059 0.000 2.930 356 R HA 0.624 4.964 4.340 -0.000 0.000 0.257 356 R C 0.067 176.416 176.300 0.082 0.000 1.107 356 R CA -0.905 55.232 56.100 0.061 0.000 0.999 356 R CB 1.846 32.196 30.300 0.082 0.000 1.209 356 R HN 0.754 nan 8.270 nan 0.000 0.486 357 G N -0.360 108.454 108.800 0.024 0.000 3.100 357 G HA2 0.196 4.156 3.960 -0.000 0.000 0.174 357 G HA3 0.196 4.156 3.960 -0.000 0.000 0.174 357 G C -1.287 173.550 174.900 -0.106 0.000 1.136 357 G CA -0.567 44.526 45.100 -0.012 0.000 0.881 357 G HN 0.384 nan 8.290 nan 0.000 0.616 358 Q N 1.364 121.078 119.800 -0.143 0.000 2.299 358 Q HA 0.389 4.729 4.340 -0.000 0.000 0.246 358 Q C -2.114 173.815 176.000 -0.118 0.000 0.935 358 Q CA -1.406 54.262 55.803 -0.225 0.000 0.887 358 Q CB 1.434 29.999 28.738 -0.289 0.000 1.223 358 Q HN 0.327 nan 8.270 nan 0.000 0.439 359 P HA -0.009 nan 4.420 nan 0.000 0.276 359 P C 0.168 177.481 177.300 0.022 0.000 1.261 359 P CA -0.397 62.717 63.100 0.023 0.000 0.800 359 P CB 0.416 32.144 31.700 0.046 0.000 1.066 360 F N 0.745 120.710 119.950 0.026 0.000 2.184 360 F HA -0.218 4.309 4.527 -0.000 0.000 0.301 360 F C 1.335 177.140 175.800 0.009 0.000 1.076 360 F CA 1.810 59.818 58.000 0.012 0.000 1.295 360 F CB -1.294 37.710 39.000 0.006 0.000 1.026 360 F HN 0.189 nan 8.300 nan 0.000 0.494 361 D N -0.939 118.645 120.400 -1.359 0.000 2.349 361 D HA -0.140 4.500 4.640 -0.000 0.000 0.224 361 D C 0.152 176.071 176.300 -0.635 0.000 1.029 361 D CA 0.512 53.898 54.000 -1.024 0.000 0.879 361 D CB -1.122 39.066 40.800 -1.020 0.000 0.906 361 D HN 0.582 nan 8.370 nan 0.000 0.528 362 H N 1.204 119.973 119.070 -0.501 0.000 2.386 362 H HA 0.230 4.786 4.556 -0.000 0.000 0.232 362 H C -2.256 172.782 175.328 -0.483 0.000 1.416 362 H CA -1.434 54.143 56.048 -0.786 0.000 1.285 362 H CB 0.975 30.312 29.762 -0.709 0.000 1.625 362 H HN 0.167 nan 8.280 nan 0.000 0.521 363 P HA -0.096 nan 4.420 nan 0.000 0.264 363 P C 0.235 177.595 177.300 0.099 0.000 1.173 363 P CA 0.288 63.398 63.100 0.017 0.000 0.761 363 P CB 1.529 33.255 31.700 0.043 0.000 0.794 364 V N 4.678 124.624 119.914 0.054 0.000 2.459 364 V HA 0.324 4.443 4.120 -0.000 0.000 0.295 364 V C 0.509 176.619 176.094 0.027 0.000 1.029 364 V CA -0.740 61.595 62.300 0.059 0.000 0.874 364 V CB 1.613 33.444 31.823 0.014 0.000 0.985 364 V HN 0.369 nan 8.190 nan 0.000 0.438 365 L N 4.735 125.974 121.223 0.027 0.000 2.296 365 L HA 0.344 4.684 4.340 -0.000 0.000 0.286 365 L C 0.994 177.868 176.870 0.007 0.000 1.023 365 L CA -0.514 54.331 54.840 0.009 0.000 0.812 365 L CB 1.678 43.735 42.059 -0.003 0.000 1.223 365 L HN 0.599 nan 8.230 nan 0.000 0.421 366 L N 3.914 125.131 121.223 -0.010 0.000 2.083 366 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 366 L C 1.719 178.585 176.870 -0.007 0.000 1.083 366 L CA 2.011 56.840 54.840 -0.018 0.000 0.752 366 L CB -0.337 41.706 42.059 -0.027 0.000 0.899 366 L HN 0.661 nan 8.230 nan 0.000 0.433 367 N N -1.698 116.995 118.700 -0.012 0.000 2.512 367 N HA -0.102 4.638 4.740 -0.000 0.000 0.183 367 N C 0.336 175.820 175.510 -0.043 0.000 1.073 367 N CA 0.662 53.702 53.050 -0.018 0.000 0.911 367 N CB -0.205 38.261 38.487 -0.036 0.000 0.964 367 N HN 0.342 nan 8.380 nan 0.000 0.447 368 H N 0.133 119.087 119.070 -0.192 0.000 2.418 368 H HA 0.232 4.788 4.556 -0.000 0.000 0.238 368 H C -1.950 173.262 175.328 -0.192 0.000 1.403 368 H CA -2.114 53.682 56.048 -0.421 0.000 1.419 368 H CB 1.128 30.534 29.762 -0.594 0.000 1.463 368 H HN -0.043 nan 8.280 nan 0.000 0.515 369 P HA -0.220 nan 4.420 nan 0.000 0.217 369 P C 1.028 178.433 177.300 0.175 0.000 1.158 369 P CA 1.456 64.619 63.100 0.105 0.000 0.887 369 P CB 0.473 32.227 31.700 0.089 0.000 0.792 370 E N -1.296 119.002 120.200 0.164 0.000 2.396 370 E HA -0.139 4.211 4.350 -0.000 0.000 0.200 370 E C 1.658 178.436 176.600 0.296 0.000 1.023 370 E CA 1.605 58.140 56.400 0.225 0.000 0.857 370 E CB -1.134 28.653 29.700 0.146 0.000 0.775 370 E HN 0.475 nan 8.360 nan 0.000 0.525 371 T N -2.500 112.199 114.554 0.242 0.000 3.085 371 T HA -0.085 4.265 4.350 -0.000 0.000 0.263 371 T C 0.552 175.460 174.700 0.347 0.000 1.127 371 T CA 0.346 62.589 62.100 0.237 0.000 1.103 371 T CB -0.166 68.757 68.868 0.093 0.000 0.921 371 T HN 0.110 nan 8.240 nan 0.000 0.510 372 H N 0.992 120.161 119.070 0.164 0.000 2.597 372 H HA 0.429 4.985 4.556 -0.000 0.000 0.303 372 H C -0.054 175.288 175.328 0.024 0.000 1.057 372 H CA -1.909 54.151 56.048 0.020 0.000 1.261 372 H CB 0.357 30.116 29.762 -0.004 0.000 1.397 372 H HN 0.397 nan 8.280 nan 0.000 0.461 373 Y N 3.158 123.227 120.300 -0.385 0.000 2.435 373 Y HA 0.271 4.821 4.550 -0.000 0.000 0.270 373 Y C -0.847 174.726 175.900 -0.545 0.000 1.093 373 Y CA -0.735 57.052 58.100 -0.522 0.000 1.226 373 Y CB 0.201 38.263 38.460 -0.663 0.000 1.289 373 Y HN 0.393 nan 8.280 nan 0.000 0.529 374 L N 3.056 123.654 121.223 -1.041 0.000 2.276 374 L HA 0.556 4.896 4.340 -0.000 0.000 0.286 374 L C -1.105 175.480 176.870 -0.476 0.000 1.061 374 L CA -0.908 53.545 54.840 -0.645 0.000 0.807 374 L CB 1.086 42.764 42.059 -0.636 0.000 1.177 374 L HN 0.170 nan 8.230 nan 0.000 0.429 375 K N 5.467 125.582 120.400 -0.474 0.000 2.426 375 K HA 0.519 4.839 4.320 -0.000 0.000 0.254 375 K C -1.660 174.715 176.600 -0.376 0.000 0.936 375 K CA -0.188 55.819 56.287 -0.466 0.000 0.801 375 K CB 1.838 33.807 32.500 -0.885 0.000 1.139 375 K HN 0.440 nan 8.250 nan 0.000 0.424 376 F N 2.173 121.967 119.950 -0.259 0.000 2.536 376 F HA 0.701 5.228 4.527 -0.000 0.000 0.322 376 F C -1.364 174.403 175.800 -0.054 0.000 1.144 376 F CA -0.438 57.467 58.000 -0.159 0.000 0.924 376 F CB 1.426 40.349 39.000 -0.128 0.000 1.181 376 F HN 0.576 nan 8.300 nan 0.000 0.438 377 A N 4.924 127.408 122.820 -0.560 0.000 2.449 377 A HA 0.817 5.137 4.320 -0.000 0.000 0.302 377 A C -1.981 175.169 177.584 -0.723 0.000 1.048 377 A CA -0.719 51.053 52.037 -0.442 0.000 0.708 377 A CB 1.692 20.666 19.000 -0.044 0.000 1.274 377 A HN 0.544 nan 8.150 nan 0.000 0.410 378 V N 2.084 121.579 119.914 -0.700 0.000 2.448 378 V HA 0.644 4.763 4.120 -0.000 0.000 0.295 378 V C -1.043 174.703 176.094 -0.580 0.000 1.025 378 V CA -0.211 61.797 62.300 -0.486 0.000 0.859 378 V CB 0.702 32.436 31.823 -0.148 0.000 0.988 378 V HN 0.713 nan 8.190 nan 0.000 0.431 379 F N 2.136 122.068 119.950 -0.030 0.000 2.579 379 F HA 0.649 5.176 4.527 -0.000 0.000 0.324 379 F C 0.089 175.903 175.800 0.023 0.000 1.058 379 F CA -0.744 57.261 58.000 0.007 0.000 0.944 379 F CB 2.035 41.025 39.000 -0.017 0.000 1.245 379 F HN 0.395 nan 8.300 nan 0.000 0.477 380 Q N 1.328 121.281 119.800 0.254 0.000 2.331 380 Q HA 0.577 4.917 4.340 -0.000 0.000 0.267 380 Q C -1.745 174.339 176.000 0.139 0.000 1.006 380 Q CA -0.680 55.227 55.803 0.173 0.000 0.818 380 Q CB 2.017 30.850 28.738 0.158 0.000 1.276 380 Q HN 0.590 nan 8.270 nan 0.000 0.450 381 V N 6.362 126.339 119.914 0.104 0.000 2.405 381 V HA 0.163 4.283 4.120 -0.000 0.000 0.264 381 V C 0.336 176.470 176.094 0.066 0.000 1.048 381 V CA 0.022 62.363 62.300 0.069 0.000 0.966 381 V CB 0.230 32.085 31.823 0.052 0.000 1.015 381 V HN 0.769 nan 8.190 nan 0.000 0.477 382 L N 0.000 121.257 121.223 0.057 0.000 2.949 382 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 382 L CA 0.000 54.870 54.840 0.051 0.000 0.813 382 L CB 0.000 42.087 42.059 0.047 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502