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 2f8h_1_A DATA FIRST_RESID 0 DATA SEQUENCE HMTDLLASTL EHLETLVSFD TRNPPRAIAA EGGIFDYLRA QLPGFQVEVI DATA SEQUENCE DHGDGAVSLY AVRGTPKYLF NVHLDTVPDS PHWSADPHVM RRTEDRVIGL DATA SEQUENCE GVCDIKGAAA ALVAAANAGD GDAAFLFSSD EEANDPRCIA AFLARGLPYD DATA SEQUENCE AVLVAEPTMS EAVLAHRGIS SVLMRFAGRA GXXXXXXDPA ASALHQAMRW DATA SEQUENCE GGKALDHVES LAHARFGGLT GLRFNIGRVD GGIKANMIAP AAELRFGFRP DATA SEQUENCE LPSMDVDGLL ATFAGFADPA AAHFEETFRG PSLPSGDIAR AEERRLAARD DATA SEQUENCE VADALDLPIG NAVDFWTEAS LFSAGGYTAL VYGPGDIAQA HTADEFVTLA DATA SEQUENCE QLQRYVESVN RIINGS 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.334 175.328 0.010 0.000 0.993 0 H CA 0.000 56.053 56.048 0.008 0.000 1.023 0 H CB 0.000 29.769 29.762 0.011 0.000 1.292 1 M N 3.597 123.053 119.600 -0.240 0.000 2.446 1 M HA 0.461 4.939 4.480 -0.004 0.000 0.294 1 M C -1.184 175.045 176.300 -0.119 0.000 1.158 1 M CA -0.223 55.030 55.300 -0.078 0.000 0.899 1 M CB 1.851 34.414 32.600 -0.063 0.000 1.687 1 M HN 0.677 nan 8.290 nan 0.000 0.455 2 T N -0.738 113.823 114.554 0.012 0.000 2.901 2 T HA 0.534 4.881 4.350 -0.004 0.000 0.293 2 T C 0.013 174.729 174.700 0.026 0.000 1.084 2 T CA -0.733 61.383 62.100 0.027 0.000 1.008 2 T CB 1.175 70.103 68.868 0.100 0.000 1.170 2 T HN 0.587 nan 8.240 nan 0.000 0.509 3 D N 0.083 120.498 120.400 0.024 0.000 2.144 3 D HA -0.048 4.589 4.640 -0.004 0.000 0.199 3 D C 1.880 178.204 176.300 0.040 0.000 0.984 3 D CA 0.746 54.760 54.000 0.025 0.000 0.834 3 D CB -0.154 40.661 40.800 0.024 0.000 0.955 3 D HN 0.363 nan 8.370 nan 0.000 0.465 4 L N 0.432 121.686 121.223 0.052 0.000 2.056 4 L HA -0.086 4.251 4.340 -0.004 0.000 0.207 4 L C 2.051 178.962 176.870 0.069 0.000 1.078 4 L CA 1.136 56.013 54.840 0.063 0.000 0.749 4 L CB -0.502 41.593 42.059 0.059 0.000 0.901 4 L HN 0.006 nan 8.230 nan 0.000 0.433 5 L N -0.483 120.780 121.223 0.068 0.000 2.056 5 L HA -0.002 4.336 4.340 -0.004 0.000 0.207 5 L C 2.476 179.379 176.870 0.054 0.000 1.078 5 L CA 1.939 56.821 54.840 0.070 0.000 0.749 5 L CB -1.043 41.065 42.059 0.081 0.000 0.901 5 L HN 0.238 nan 8.230 nan 0.000 0.433 6 A N -1.367 121.476 122.820 0.037 0.000 1.902 6 A HA -0.186 4.132 4.320 -0.004 0.000 0.217 6 A C 2.378 179.967 177.584 0.008 0.000 1.181 6 A CA 2.035 54.081 52.037 0.016 0.000 0.623 6 A CB -0.915 18.088 19.000 0.004 0.000 0.818 6 A HN 0.527 nan 8.150 nan 0.000 0.443 7 S N -0.556 115.160 115.700 0.026 0.000 2.383 7 S HA -0.106 4.361 4.470 -0.004 0.000 0.227 7 S C 2.025 176.678 174.600 0.088 0.000 1.026 7 S CA 1.631 59.843 58.200 0.020 0.000 0.981 7 S CB -0.490 62.759 63.200 0.082 0.000 0.818 7 S HN 0.698 nan 8.310 nan 0.000 0.472 8 T N 3.048 117.676 114.554 0.124 0.000 2.746 8 T HA 0.019 4.367 4.350 -0.004 0.000 0.267 8 T C 1.731 176.494 174.700 0.104 0.000 1.039 8 T CA 0.990 63.178 62.100 0.147 0.000 1.142 8 T CB -0.432 68.500 68.868 0.107 0.000 0.866 8 T HN 0.260 nan 8.240 nan 0.000 0.444 9 L N 0.587 121.843 121.223 0.054 0.000 2.083 9 L HA -0.083 4.254 4.340 -0.004 0.000 0.209 9 L C 2.735 179.605 176.870 0.001 0.000 1.083 9 L CA 1.345 56.201 54.840 0.027 0.000 0.752 9 L CB -0.553 41.516 42.059 0.015 0.000 0.899 9 L HN 0.341 nan 8.230 nan 0.000 0.433 10 E N -0.889 119.288 120.200 -0.039 0.000 2.047 10 E HA -0.201 4.147 4.350 -0.004 0.000 0.191 10 E C 2.183 178.732 176.600 -0.085 0.000 0.987 10 E CA 0.940 57.280 56.400 -0.101 0.000 0.799 10 E CB -0.087 29.506 29.700 -0.178 0.000 0.752 10 E HN 0.542 nan 8.360 nan 0.000 0.449 11 H N 0.300 119.406 119.070 0.059 0.000 2.357 11 H HA -0.096 4.457 4.556 -0.004 0.000 0.301 11 H C 2.273 177.624 175.328 0.038 0.000 1.082 11 H CA 0.900 57.015 56.048 0.111 0.000 1.342 11 H CB -0.217 29.617 29.762 0.120 0.000 1.389 11 H HN 0.104 nan 8.280 nan 0.000 0.511 12 L N 1.500 122.800 121.223 0.130 0.000 2.046 12 L HA -0.136 4.201 4.340 -0.004 0.000 0.208 12 L C 2.425 179.291 176.870 -0.008 0.000 1.077 12 L CA 1.721 56.591 54.840 0.050 0.000 0.747 12 L CB -0.627 41.453 42.059 0.035 0.000 0.896 12 L HN 0.215 nan 8.230 nan 0.000 0.432 13 E N -1.444 118.737 120.200 -0.031 0.000 2.085 13 E HA -0.228 4.120 4.350 -0.004 0.000 0.194 13 E C 1.829 178.336 176.600 -0.155 0.000 0.994 13 E CA 1.843 58.196 56.400 -0.078 0.000 0.801 13 E CB -0.030 29.622 29.700 -0.080 0.000 0.743 13 E HN 0.571 nan 8.360 nan 0.000 0.453 14 T N 1.409 115.842 114.554 -0.201 0.000 2.701 14 T HA -0.117 4.231 4.350 -0.004 0.000 0.263 14 T C 1.926 176.398 174.700 -0.381 0.000 1.040 14 T CA 1.221 63.067 62.100 -0.423 0.000 1.147 14 T CB -0.258 68.238 68.868 -0.621 0.000 0.865 14 T HN 0.151 nan 8.240 nan 0.000 0.426 15 L N 0.904 122.063 121.223 -0.107 0.000 2.043 15 L HA -0.114 4.223 4.340 -0.004 0.000 0.212 15 L C 2.656 179.558 176.870 0.054 0.000 1.075 15 L CA 1.006 55.899 54.840 0.088 0.000 0.752 15 L CB -0.821 41.269 42.059 0.053 0.000 0.891 15 L HN 0.152 nan 8.230 nan 0.000 0.432 16 V N -0.143 119.755 119.914 -0.028 0.000 2.515 16 V HA -0.232 3.885 4.120 -0.004 0.000 0.250 16 V C 2.631 178.723 176.094 -0.003 0.000 1.058 16 V CA 1.857 64.150 62.300 -0.012 0.000 1.064 16 V CB -0.427 31.375 31.823 -0.034 0.000 0.675 16 V HN 0.643 nan 8.190 nan 0.000 0.461 17 S N -0.926 114.680 115.700 -0.156 0.000 2.474 17 S HA -0.007 4.460 4.470 -0.004 0.000 0.235 17 S C 0.577 175.008 174.600 -0.282 0.000 0.997 17 S CA 0.346 58.403 58.200 -0.239 0.000 0.949 17 S CB -0.624 62.331 63.200 -0.408 0.000 0.766 17 S HN 0.432 nan 8.310 nan 0.000 0.517 18 F N 2.729 122.611 119.950 -0.113 0.000 2.438 18 F HA 0.331 4.856 4.527 -0.004 0.000 0.356 18 F C 0.619 176.337 175.800 -0.135 0.000 1.099 18 F CA -0.965 56.949 58.000 -0.143 0.000 1.185 18 F CB 0.542 39.455 39.000 -0.146 0.000 1.115 18 F HN 0.038 nan 8.300 nan 0.000 0.526 19 D N 2.691 123.050 120.400 -0.068 0.000 2.338 19 D HA 0.053 4.690 4.640 -0.004 0.000 0.255 19 D C 0.491 176.794 176.300 0.006 0.000 1.237 19 D CA 0.072 53.959 54.000 -0.187 0.000 0.883 19 D CB 0.629 41.213 40.800 -0.360 0.000 1.087 19 D HN 0.613 nan 8.370 nan 0.000 0.485 20 T N 0.670 115.270 114.554 0.076 0.000 3.380 20 T HA 0.282 4.630 4.350 -0.004 0.000 0.289 20 T C 0.717 175.455 174.700 0.063 0.000 1.012 20 T CA -0.717 61.418 62.100 0.058 0.000 0.944 20 T CB -0.127 68.767 68.868 0.044 0.000 1.172 20 T HN 0.197 nan 8.240 nan 0.000 0.502 21 R N 2.042 122.580 120.500 0.063 0.000 2.570 21 R HA 0.346 4.684 4.340 -0.004 0.000 0.277 21 R C -0.302 176.006 176.300 0.014 0.000 1.039 21 R CA -0.096 56.025 56.100 0.035 0.000 1.065 21 R CB 0.136 30.455 30.300 0.032 0.000 0.964 21 R HN 0.263 nan 8.270 nan 0.000 0.428 22 N N 3.438 122.134 118.700 -0.007 0.000 2.558 22 N HA 0.292 5.030 4.740 -0.004 0.000 0.285 22 N C -2.832 172.646 175.510 -0.054 0.000 1.112 22 N CA -2.250 50.788 53.050 -0.019 0.000 0.857 22 N CB 1.566 40.049 38.487 -0.006 0.000 1.376 22 N HN 0.162 nan 8.380 nan 0.000 0.526 23 P HA 0.207 nan 4.420 nan 0.000 0.271 23 P C -2.044 175.243 177.300 -0.021 0.000 1.233 23 P CA -0.887 62.194 63.100 -0.032 0.000 0.789 23 P CB 0.515 32.192 31.700 -0.038 0.000 0.951 24 P HA 0.077 nan 4.420 nan 0.000 0.255 24 P C 0.065 177.366 177.300 0.001 0.000 1.248 24 P CA 0.154 63.248 63.100 -0.010 0.000 0.807 24 P CB 0.223 31.917 31.700 -0.010 0.000 1.150 25 R N 0.061 120.567 120.500 0.009 0.000 3.336 25 R HA -0.170 4.168 4.340 -0.004 0.000 0.260 25 R C -0.273 176.046 176.300 0.033 0.000 1.032 25 R CA 0.261 56.377 56.100 0.028 0.000 0.693 25 R CB -1.958 28.359 30.300 0.029 0.000 1.134 25 R HN 0.220 nan 8.270 nan 0.000 0.433 26 A N 1.944 124.778 122.820 0.024 0.000 3.063 26 A HA 0.346 4.663 4.320 -0.004 0.000 0.263 26 A C 0.352 177.958 177.584 0.037 0.000 1.736 26 A CA -0.105 51.945 52.037 0.022 0.000 1.408 26 A CB -0.134 18.870 19.000 0.007 0.000 1.108 26 A HN 0.367 nan 8.150 nan 0.000 0.621 27 I N 1.405 122.012 120.570 0.060 0.000 2.378 27 I HA 0.527 4.694 4.170 -0.004 0.000 0.291 27 I C 0.520 176.690 176.117 0.088 0.000 0.992 27 I CA -0.351 61.010 61.300 0.102 0.000 1.154 27 I CB 1.917 40.020 38.000 0.171 0.000 1.315 27 I HN 0.448 nan 8.210 nan 0.000 0.448 28 A N 4.101 126.974 122.820 0.088 0.000 2.320 28 A HA 0.788 5.105 4.320 -0.004 0.000 0.334 28 A C 0.806 178.395 177.584 0.009 0.000 1.147 28 A CA -0.204 51.853 52.037 0.034 0.000 0.820 28 A CB 1.404 20.420 19.000 0.026 0.000 1.218 28 A HN 0.863 nan 8.150 nan 0.000 0.482 29 A N 0.517 123.277 122.820 -0.100 0.000 2.016 29 A HA 0.147 4.464 4.320 -0.004 0.000 0.217 29 A C 0.778 178.314 177.584 -0.080 0.000 1.162 29 A CA 1.274 53.179 52.037 -0.219 0.000 0.662 29 A CB -0.387 18.482 19.000 -0.219 0.000 0.812 29 A HN 0.856 nan 8.150 nan 0.000 0.450 30 E N -1.027 119.160 120.200 -0.022 0.000 2.179 30 E HA 0.520 4.867 4.350 -0.004 0.000 0.275 30 E C 0.422 177.043 176.600 0.034 0.000 0.945 30 E CA -0.562 55.844 56.400 0.010 0.000 0.792 30 E CB 1.212 30.912 29.700 0.001 0.000 1.125 30 E HN 0.810 nan 8.360 nan 0.000 0.397 31 G N 1.683 110.508 108.800 0.043 0.000 2.741 31 G HA2 0.113 4.071 3.960 -0.004 0.000 0.222 31 G HA3 0.113 4.071 3.960 -0.004 0.000 0.222 31 G C 0.619 175.528 174.900 0.016 0.000 1.364 31 G CA -0.256 44.871 45.100 0.045 0.000 0.866 31 G HN 1.575 nan 8.290 nan 0.000 0.555 32 G N -1.022 107.784 108.800 0.012 0.000 2.574 32 G HA2 -0.108 3.849 3.960 -0.004 0.000 0.282 32 G HA3 -0.108 3.849 3.960 -0.004 0.000 0.282 32 G C 1.441 175.873 174.900 -0.780 0.000 1.257 32 G CA 1.356 46.352 45.100 -0.173 0.000 0.956 32 G HN 2.121 nan 8.290 nan 0.000 0.560 33 I N -0.350 119.379 120.570 -1.401 0.000 2.264 33 I HA -0.072 4.096 4.170 -0.004 0.000 0.248 33 I C 2.616 178.290 176.117 -0.738 0.000 1.111 33 I CA 2.326 62.681 61.300 -1.575 0.000 1.382 33 I CB -0.198 37.084 38.000 -1.197 0.000 1.060 33 I HN 0.446 nan 8.210 nan 0.000 0.418 34 F N 0.788 120.536 119.950 -0.337 0.000 2.234 34 F HA -0.198 4.326 4.527 -0.005 0.000 0.299 34 F C 2.095 177.816 175.800 -0.131 0.000 1.087 34 F CA 1.191 59.078 58.000 -0.187 0.000 1.340 34 F CB -0.457 38.477 39.000 -0.111 0.000 1.031 34 F HN 0.110 nan 8.300 nan 0.000 0.500 35 D N -1.114 119.309 120.400 0.039 0.000 2.144 35 D HA -0.197 4.440 4.640 -0.004 0.000 0.200 35 D C 1.903 178.233 176.300 0.051 0.000 0.978 35 D CA 0.956 54.986 54.000 0.051 0.000 0.833 35 D CB -0.398 40.440 40.800 0.064 0.000 0.961 35 D HN 0.259 nan 8.370 nan 0.000 0.470 36 Y N 1.130 121.374 120.300 -0.094 0.000 2.163 36 Y HA -0.104 4.443 4.550 -0.004 0.000 0.288 36 Y C 2.003 177.859 175.900 -0.072 0.000 1.136 36 Y CA 1.322 59.410 58.100 -0.020 0.000 1.147 36 Y CB -0.449 38.056 38.460 0.074 0.000 0.987 36 Y HN -0.075 nan 8.280 nan 0.000 0.509 37 L N -0.204 120.864 121.223 -0.259 0.000 2.083 37 L HA -0.237 4.101 4.340 -0.004 0.000 0.209 37 L C 2.590 179.316 176.870 -0.240 0.000 1.083 37 L CA 1.512 56.129 54.840 -0.372 0.000 0.752 37 L CB -0.546 41.257 42.059 -0.427 0.000 0.899 37 L HN 0.144 nan 8.230 nan 0.000 0.433 38 R N -0.028 120.406 120.500 -0.110 0.000 2.127 38 R HA -0.139 4.198 4.340 -0.004 0.000 0.238 38 R C 2.190 178.447 176.300 -0.073 0.000 1.134 38 R CA 1.358 57.431 56.100 -0.044 0.000 0.975 38 R CB -0.373 29.935 30.300 0.014 0.000 0.865 38 R HN 0.353 nan 8.270 nan 0.000 0.447 39 A N 0.182 122.931 122.820 -0.118 0.000 2.208 39 A HA -0.010 4.308 4.320 -0.004 0.000 0.209 39 A C 1.252 178.742 177.584 -0.156 0.000 1.161 39 A CA 0.561 52.537 52.037 -0.102 0.000 0.782 39 A CB 0.352 19.313 19.000 -0.066 0.000 0.816 39 A HN 0.106 nan 8.150 nan 0.000 0.477 40 Q N -0.593 119.046 119.800 -0.268 0.000 2.175 40 Q HA 0.361 4.698 4.340 -0.004 0.000 0.225 40 Q C -0.669 175.212 176.000 -0.199 0.000 0.837 40 Q CA 0.280 55.926 55.803 -0.263 0.000 1.032 40 Q CB 0.492 28.936 28.738 -0.490 0.000 1.137 40 Q HN 0.569 nan 8.270 nan 0.000 0.483 41 L N 2.908 124.041 121.223 -0.150 0.000 2.556 41 L HA 0.321 4.658 4.340 -0.004 0.000 0.243 41 L C -2.241 174.691 176.870 0.103 0.000 1.331 41 L CA -1.478 53.248 54.840 -0.189 0.000 0.927 41 L CB 1.159 42.974 42.059 -0.406 0.000 1.219 41 L HN -0.151 nan 8.230 nan 0.000 0.490 42 P HA 0.090 nan 4.420 nan 0.000 0.268 42 P C 0.916 178.384 177.300 0.280 0.000 1.204 42 P CA 0.786 64.000 63.100 0.189 0.000 0.768 42 P CB 1.477 33.250 31.700 0.121 0.000 0.842 43 G N 1.824 110.717 108.800 0.154 0.000 2.179 43 G HA2 -0.256 3.701 3.960 -0.004 0.000 0.260 43 G HA3 -0.256 3.701 3.960 -0.004 0.000 0.260 43 G C -0.180 174.695 174.900 -0.042 0.000 0.977 43 G CA -0.326 44.792 45.100 0.029 0.000 0.641 43 G HN 0.424 nan 8.290 nan 0.000 0.533 44 F N 1.293 121.214 119.950 -0.049 0.000 2.385 44 F HA 0.552 5.077 4.527 -0.005 0.000 0.336 44 F C 1.020 176.789 175.800 -0.051 0.000 1.100 44 F CA -0.526 57.431 58.000 -0.071 0.000 1.116 44 F CB 1.126 40.078 39.000 -0.080 0.000 1.166 44 F HN 0.033 nan 8.300 nan 0.000 0.511 45 Q N 2.121 121.976 119.800 0.092 0.000 2.294 45 Q HA 0.470 4.807 4.340 -0.004 0.000 0.257 45 Q C -1.040 175.002 176.000 0.070 0.000 0.955 45 Q CA -0.468 55.364 55.803 0.048 0.000 0.936 45 Q CB 1.660 30.394 28.738 -0.006 0.000 1.188 45 Q HN 0.378 nan 8.270 nan 0.000 0.420 46 V N 2.695 122.659 119.914 0.084 0.000 2.555 46 V HA 0.401 4.519 4.120 -0.004 0.000 0.302 46 V C -0.390 175.764 176.094 0.100 0.000 1.038 46 V CA -0.665 61.693 62.300 0.097 0.000 0.887 46 V CB 1.882 33.766 31.823 0.102 0.000 0.991 46 V HN 0.753 nan 8.190 nan 0.000 0.434 47 E N 3.195 123.479 120.200 0.141 0.000 2.263 47 E HA 0.636 4.983 4.350 -0.004 0.000 0.268 47 E C -2.074 174.616 176.600 0.151 0.000 0.884 47 E CA -0.504 55.985 56.400 0.148 0.000 0.766 47 E CB 2.384 32.206 29.700 0.202 0.000 1.196 47 E HN 0.432 nan 8.360 nan 0.000 0.416 48 V N 6.329 126.283 119.914 0.067 0.000 2.357 48 V HA 0.417 4.534 4.120 -0.004 0.000 0.284 48 V C -0.146 175.891 176.094 -0.095 0.000 1.018 48 V CA -0.530 61.757 62.300 -0.022 0.000 0.841 48 V CB 1.224 33.002 31.823 -0.074 0.000 0.991 48 V HN 0.638 nan 8.190 nan 0.000 0.437 49 I N 3.815 124.288 120.570 -0.162 0.000 2.378 49 I HA 0.393 4.560 4.170 -0.004 0.000 0.291 49 I C -0.490 175.307 176.117 -0.534 0.000 0.992 49 I CA -0.458 60.669 61.300 -0.289 0.000 1.154 49 I CB 1.836 39.681 38.000 -0.260 0.000 1.315 49 I HN 0.473 nan 8.210 nan 0.000 0.448 50 D N 5.627 125.787 120.400 -0.401 0.000 2.396 50 D HA 0.151 4.788 4.640 -0.004 0.000 0.225 50 D C 0.816 176.928 176.300 -0.313 0.000 1.121 50 D CA -0.099 53.699 54.000 -0.336 0.000 0.853 50 D CB 0.639 41.328 40.800 -0.185 0.000 1.043 50 D HN 0.439 nan 8.370 nan 0.000 0.500 51 H N 2.775 121.830 119.070 -0.026 0.000 2.551 51 H HA 0.268 4.822 4.556 -0.004 0.000 0.266 51 H C 1.232 176.560 175.328 -0.001 0.000 0.977 51 H CA 0.721 56.769 56.048 -0.001 0.000 1.163 51 H CB 0.411 30.183 29.762 0.016 0.000 1.381 51 H HN 0.640 nan 8.280 nan 0.000 0.581 52 G N 1.227 110.060 108.800 0.055 0.000 2.675 52 G HA2 -0.186 3.772 3.960 -0.004 0.000 0.686 52 G HA3 -0.186 3.772 3.960 -0.004 0.000 0.686 52 G C -0.784 174.144 174.900 0.046 0.000 1.215 52 G CA -0.472 44.651 45.100 0.038 0.000 0.777 52 G HN 0.235 nan 8.290 nan 0.000 0.638 53 D N -0.769 119.648 120.400 0.028 0.000 2.737 53 D HA -0.018 4.620 4.640 -0.004 0.000 0.233 53 D C 1.836 178.159 176.300 0.039 0.000 1.155 53 D CA 3.516 57.533 54.000 0.029 0.000 0.667 53 D CB -1.298 39.519 40.800 0.028 0.000 1.060 53 D HN 2.472 nan 8.370 nan 0.000 0.427 54 G N -1.580 107.244 108.800 0.041 0.000 2.175 54 G HA2 -0.128 3.829 3.960 -0.004 0.000 0.244 54 G HA3 -0.128 3.829 3.960 -0.004 0.000 0.244 54 G C 0.415 175.371 174.900 0.094 0.000 0.982 54 G CA 0.421 45.558 45.100 0.062 0.000 0.641 54 G HN 1.267 nan 8.290 nan 0.000 0.527 55 A N 0.424 123.306 122.820 0.103 0.000 2.391 55 A HA 0.743 5.060 4.320 -0.004 0.000 0.316 55 A C 0.032 177.734 177.584 0.196 0.000 1.381 55 A CA 0.021 52.158 52.037 0.166 0.000 0.998 55 A CB 0.871 19.970 19.000 0.165 0.000 1.147 55 A HN 1.122 nan 8.150 nan 0.000 0.545 56 V N 1.995 122.000 119.914 0.151 0.000 2.735 56 V HA 0.625 4.742 4.120 -0.004 0.000 0.310 56 V C 0.111 176.223 176.094 0.030 0.000 1.061 56 V CA -0.487 61.750 62.300 -0.105 0.000 0.913 56 V CB 2.234 33.735 31.823 -0.536 0.000 1.005 56 V HN 0.802 nan 8.190 nan 0.000 0.428 57 S N 3.641 119.322 115.700 -0.032 0.000 2.536 57 S HA 0.766 5.233 4.470 -0.004 0.000 0.298 57 S C -0.907 173.789 174.600 0.160 0.000 1.083 57 S CA -0.533 57.800 58.200 0.221 0.000 0.995 57 S CB 1.857 65.309 63.200 0.420 0.000 1.058 57 S HN 0.690 nan 8.310 nan 0.000 0.488 58 L N 3.453 124.919 121.223 0.403 0.000 2.372 58 L HA 0.546 4.883 4.340 -0.004 0.000 0.273 58 L C -1.915 175.240 176.870 0.476 0.000 0.989 58 L CA -0.724 54.371 54.840 0.427 0.000 0.841 58 L CB 0.846 43.259 42.059 0.589 0.000 1.225 58 L HN 0.759 nan 8.230 nan 0.000 0.414 59 Y N 5.150 125.602 120.300 0.253 0.000 2.342 59 Y HA 0.732 5.279 4.550 -0.004 0.000 0.338 59 Y C -0.585 175.463 175.900 0.247 0.000 0.965 59 Y CA -1.144 57.099 58.100 0.238 0.000 1.159 59 Y CB 1.441 40.077 38.460 0.293 0.000 1.157 59 Y HN 0.595 nan 8.280 nan 0.000 0.486 60 A N 5.994 128.862 122.820 0.079 0.000 2.343 60 A HA 0.818 5.135 4.320 -0.004 0.000 0.316 60 A C -1.770 175.828 177.584 0.024 0.000 1.104 60 A CA -0.624 51.447 52.037 0.057 0.000 0.768 60 A CB 1.038 20.112 19.000 0.123 0.000 1.213 60 A HN 0.519 nan 8.150 nan 0.000 0.456 61 V N 2.382 122.292 119.914 -0.006 0.000 2.638 61 V HA 0.634 4.751 4.120 -0.004 0.000 0.306 61 V C -0.096 175.850 176.094 -0.246 0.000 1.052 61 V CA -0.615 61.625 62.300 -0.100 0.000 0.885 61 V CB 1.862 33.572 31.823 -0.188 0.000 0.999 61 V HN 0.955 nan 8.190 nan 0.000 0.424 62 R N 2.752 122.922 120.500 -0.551 0.000 2.476 62 R HA 0.658 4.996 4.340 -0.004 0.000 0.305 62 R C 0.502 176.566 176.300 -0.394 0.000 0.965 62 R CA 0.688 56.351 56.100 -0.729 0.000 0.867 62 R CB 1.498 30.846 30.300 -1.586 0.000 1.176 62 R HN 1.240 nan 8.270 nan 0.000 0.447 63 G N 1.954 110.604 108.800 -0.250 0.000 2.539 63 G HA2 -0.327 3.631 3.960 -0.004 0.000 0.256 63 G HA3 -0.327 3.631 3.960 -0.004 0.000 0.256 63 G C -0.233 174.605 174.900 -0.104 0.000 1.233 63 G CA 0.130 45.138 45.100 -0.153 0.000 0.936 63 G HN 0.794 nan 8.290 nan 0.000 0.571 64 T N -0.329 114.180 114.554 -0.075 0.000 3.444 64 T HA 0.635 4.982 4.350 -0.004 0.000 0.265 64 T C -1.861 172.817 174.700 -0.037 0.000 1.537 64 T CA -0.152 61.915 62.100 -0.056 0.000 1.530 64 T CB 1.419 70.252 68.868 -0.058 0.000 0.958 64 T HN 0.730 nan 8.240 nan 0.000 0.684 65 P HA 0.249 nan 4.420 nan 0.000 0.269 65 P C 0.109 177.437 177.300 0.047 0.000 1.209 65 P CA -0.332 62.809 63.100 0.069 0.000 0.776 65 P CB 1.424 33.220 31.700 0.160 0.000 0.876 66 K N 1.000 121.350 120.400 -0.084 0.000 2.361 66 K HA 0.103 4.421 4.320 -0.004 0.000 0.194 66 K C 0.052 176.461 176.600 -0.318 0.000 1.032 66 K CA 0.432 56.541 56.287 -0.297 0.000 1.048 66 K CB 0.113 32.264 32.500 -0.582 0.000 0.842 66 K HN 0.492 nan 8.250 nan 0.000 0.526 67 Y N 0.361 120.795 120.300 0.224 0.000 2.485 67 Y HA 0.424 4.971 4.550 -0.005 0.000 0.345 67 Y C -0.596 175.241 175.900 -0.104 0.000 0.998 67 Y CA -1.557 56.566 58.100 0.038 0.000 1.059 67 Y CB 1.567 39.929 38.460 -0.162 0.000 1.234 67 Y HN -0.205 nan 8.280 nan 0.000 0.461 68 L N 2.808 123.855 121.223 -0.293 0.000 2.341 68 L HA 0.621 4.959 4.340 -0.004 0.000 0.278 68 L C -1.883 174.715 176.870 -0.453 0.000 1.005 68 L CA -0.675 53.852 54.840 -0.520 0.000 0.818 68 L CB 0.538 41.951 42.059 -1.077 0.000 1.259 68 L HN 0.443 nan 8.230 nan 0.000 0.418 69 F N 4.543 124.419 119.950 -0.123 0.000 2.404 69 F HA 0.427 4.951 4.527 -0.004 0.000 0.354 69 F C 0.499 176.129 175.800 -0.283 0.000 1.122 69 F CA -0.258 57.662 58.000 -0.133 0.000 1.080 69 F CB 1.136 40.128 39.000 -0.013 0.000 1.131 69 F HN 0.574 nan 8.300 nan 0.000 0.471 70 N N 3.241 121.841 118.700 -0.168 0.000 2.372 70 N HA 0.645 5.382 4.740 -0.004 0.000 0.291 70 N C -1.915 173.540 175.510 -0.092 0.000 1.024 70 N CA -0.289 52.643 53.050 -0.197 0.000 0.873 70 N CB 1.619 39.976 38.487 -0.217 0.000 1.206 70 N HN 0.385 nan 8.380 nan 0.000 0.486 71 V N 3.002 122.859 119.914 -0.095 0.000 2.623 71 V HA 0.214 4.331 4.120 -0.004 0.000 0.304 71 V C -0.767 175.400 176.094 0.121 0.000 1.054 71 V CA -0.875 61.421 62.300 -0.006 0.000 0.882 71 V CB 1.293 33.119 31.823 0.005 0.000 1.002 71 V HN 0.864 nan 8.190 nan 0.000 0.424 72 H N 3.684 122.809 119.070 0.093 0.000 2.548 72 H HA 0.625 5.178 4.556 -0.004 0.000 0.331 72 H C 0.149 175.534 175.328 0.094 0.000 1.093 72 H CA -0.636 55.480 56.048 0.113 0.000 1.367 72 H CB 0.952 30.769 29.762 0.091 0.000 1.455 72 H HN 0.460 nan 8.280 nan 0.000 0.519 73 L N 1.239 122.563 121.223 0.169 0.000 2.554 73 L HA 0.077 4.414 4.340 -0.004 0.000 0.225 73 L C 0.368 177.289 176.870 0.085 0.000 1.104 73 L CA -0.181 54.675 54.840 0.026 0.000 0.866 73 L CB -0.212 41.776 42.059 -0.118 0.000 1.047 73 L HN 0.763 nan 8.230 nan 0.000 0.468 74 D N 0.483 121.019 120.400 0.227 0.000 2.344 74 D HA 0.188 4.825 4.640 -0.004 0.000 0.244 74 D C 0.252 176.679 176.300 0.210 0.000 1.134 74 D CA -0.059 54.047 54.000 0.177 0.000 0.930 74 D CB 1.229 42.113 40.800 0.141 0.000 1.175 74 D HN -0.026 nan 8.370 nan 0.000 0.437 75 T N -2.920 111.701 114.554 0.111 0.000 2.907 75 T HA 0.560 4.907 4.350 -0.004 0.000 0.290 75 T C 0.488 175.192 174.700 0.006 0.000 1.066 75 T CA -0.791 61.361 62.100 0.088 0.000 1.012 75 T CB 1.016 69.914 68.868 0.049 0.000 1.184 75 T HN 0.508 nan 8.240 nan 0.000 0.522 76 V N -1.717 118.160 119.914 -0.061 0.000 3.336 76 V HA 0.611 4.728 4.120 -0.004 0.000 0.304 76 V C -2.657 173.386 176.094 -0.085 0.000 1.073 76 V CA -2.224 59.979 62.300 -0.161 0.000 1.074 76 V CB -0.613 30.967 31.823 -0.404 0.000 1.161 76 V HN 0.772 nan 8.190 nan 0.000 0.460 77 P HA 0.168 nan 4.420 nan 0.000 0.272 77 P C -0.765 176.513 177.300 -0.037 0.000 1.240 77 P CA -0.116 62.953 63.100 -0.052 0.000 0.791 77 P CB 0.285 31.958 31.700 -0.046 0.000 0.978 78 D N -0.191 120.159 120.400 -0.083 0.000 2.451 78 D HA 0.180 4.817 4.640 -0.004 0.000 0.259 78 D C -0.073 176.269 176.300 0.069 0.000 1.201 78 D CA -0.160 53.760 54.000 -0.134 0.000 1.028 78 D CB 0.032 40.543 40.800 -0.481 0.000 1.095 78 D HN 0.280 nan 8.370 nan 0.000 0.539 79 S N -0.825 115.075 115.700 0.334 0.000 3.269 79 S HA -0.160 4.307 4.470 -0.004 0.000 0.639 79 S C -2.410 172.308 174.600 0.197 0.000 2.714 79 S CA 0.189 58.642 58.200 0.423 0.000 2.894 79 S CB -1.592 61.709 63.200 0.167 0.000 0.329 79 S HN 0.668 nan 8.310 nan 0.000 1.793 80 P HA 0.463 nan 4.420 nan 0.000 0.276 80 P C 0.213 177.476 177.300 -0.060 0.000 1.252 80 P CA -0.012 63.024 63.100 -0.106 0.000 0.802 80 P CB 0.244 31.733 31.700 -0.352 0.000 1.035 81 H N -3.741 115.391 119.070 0.103 0.000 3.434 81 H HA -0.115 4.438 4.556 -0.004 0.000 0.191 81 H C -0.589 174.761 175.328 0.037 0.000 1.037 81 H CA 0.113 56.187 56.048 0.044 0.000 1.187 81 H CB -2.110 27.638 29.762 -0.024 0.000 1.080 81 H HN 0.446 nan 8.280 nan 0.000 0.338 82 W N 2.453 123.787 121.300 0.057 0.000 2.210 82 W HA 0.176 4.834 4.660 -0.005 0.000 0.330 82 W C 1.795 178.331 176.519 0.029 0.000 1.334 82 W CA 1.019 58.383 57.345 0.032 0.000 1.227 82 W CB 0.608 30.063 29.460 -0.008 0.000 1.178 82 W HN 0.211 nan 8.180 nan 0.000 0.560 83 S N 1.716 117.537 115.700 0.202 0.000 2.593 83 S HA 0.533 5.001 4.470 -0.004 0.000 0.217 83 S C 0.448 175.134 174.600 0.144 0.000 0.966 83 S CA 0.233 58.512 58.200 0.132 0.000 0.914 83 S CB -0.014 63.223 63.200 0.061 0.000 0.776 83 S HN 0.565 nan 8.310 nan 0.000 0.523 84 A N 0.522 123.472 122.820 0.217 0.000 2.564 84 A HA 0.519 4.836 4.320 -0.004 0.000 0.291 84 A C -1.555 176.104 177.584 0.124 0.000 1.102 84 A CA -0.703 51.420 52.037 0.143 0.000 0.660 84 A CB 0.067 19.135 19.000 0.114 0.000 1.283 84 A HN 0.094 nan 8.150 nan 0.000 0.430 85 D N 0.670 121.090 120.400 0.033 0.000 2.502 85 D HA 0.129 4.766 4.640 -0.004 0.000 0.249 85 D C -1.472 174.732 176.300 -0.161 0.000 1.188 85 D CA -0.706 53.264 54.000 -0.051 0.000 0.890 85 D CB 0.904 41.686 40.800 -0.029 0.000 1.140 85 D HN 0.097 nan 8.370 nan 0.000 0.505 86 P HA -0.105 nan 4.420 nan 0.000 0.222 86 P C 0.634 177.498 177.300 -0.728 0.000 1.147 86 P CA 0.964 63.461 63.100 -1.005 0.000 0.790 86 P CB 0.164 30.866 31.700 -1.664 0.000 0.780 87 H N -1.915 116.983 119.070 -0.285 0.000 2.526 87 H HA 0.223 4.776 4.556 -0.004 0.000 0.274 87 H C 0.004 175.241 175.328 -0.151 0.000 0.999 87 H CA 0.227 56.154 56.048 -0.201 0.000 1.157 87 H CB 0.375 30.028 29.762 -0.181 0.000 1.407 87 H HN -0.020 nan 8.280 nan 0.000 0.568 88 V N 2.583 122.465 119.914 -0.053 0.000 2.284 88 V HA 0.091 4.209 4.120 -0.004 0.000 0.274 88 V C 0.439 176.520 176.094 -0.022 0.000 1.023 88 V CA -0.443 61.833 62.300 -0.040 0.000 0.808 88 V CB 1.629 33.435 31.823 -0.028 0.000 1.035 88 V HN 0.242 nan 8.190 nan 0.000 0.445 89 M N 5.482 125.067 119.600 -0.026 0.000 2.284 89 M HA 0.233 4.711 4.480 -0.004 0.000 0.351 89 M C 0.218 176.526 176.300 0.013 0.000 1.443 89 M CA 0.670 55.972 55.300 0.004 0.000 1.031 89 M CB 0.148 32.743 32.600 -0.009 0.000 1.893 89 M HN 0.580 nan 8.290 nan 0.000 0.456 90 R N 3.444 123.968 120.500 0.041 0.000 2.720 90 R HA 0.664 5.001 4.340 -0.004 0.000 0.272 90 R C -0.846 175.470 176.300 0.026 0.000 0.991 90 R CA -0.876 55.243 56.100 0.031 0.000 1.010 90 R CB 1.876 32.204 30.300 0.047 0.000 1.141 90 R HN 0.656 nan 8.270 nan 0.000 0.494 91 R N 0.534 121.039 120.500 0.009 0.000 2.673 91 R HA 0.347 4.684 4.340 -0.004 0.000 0.281 91 R C -0.896 175.398 176.300 -0.011 0.000 0.991 91 R CA -0.376 55.726 56.100 0.003 0.000 0.896 91 R CB 1.868 32.168 30.300 0.001 0.000 1.201 91 R HN 0.879 nan 8.270 nan 0.000 0.457 92 T N -1.185 113.355 114.554 -0.022 0.000 2.804 92 T HA 0.293 4.640 4.350 -0.004 0.000 0.272 92 T C 0.880 175.563 174.700 -0.030 0.000 0.986 92 T CA -0.748 61.330 62.100 -0.036 0.000 0.999 92 T CB 1.194 70.022 68.868 -0.067 0.000 1.307 92 T HN 0.618 nan 8.240 nan 0.000 0.586 93 E N 0.753 120.932 120.200 -0.034 0.000 2.077 93 E HA -0.127 4.220 4.350 -0.004 0.000 0.193 93 E C 0.766 177.355 176.600 -0.017 0.000 0.989 93 E CA 1.776 58.162 56.400 -0.023 0.000 0.800 93 E CB -0.161 29.524 29.700 -0.025 0.000 0.746 93 E HN 0.852 nan 8.360 nan 0.000 0.452 94 D N -1.045 119.335 120.400 -0.033 0.000 2.479 94 D HA 0.063 4.700 4.640 -0.004 0.000 0.218 94 D C 0.347 176.635 176.300 -0.020 0.000 1.177 94 D CA -0.337 53.650 54.000 -0.022 0.000 0.830 94 D CB 0.261 41.042 40.800 -0.031 0.000 1.014 94 D HN 0.042 nan 8.370 nan 0.000 0.503 95 R N -1.017 119.466 120.500 -0.028 0.000 2.741 95 R HA 0.629 4.967 4.340 -0.004 0.000 0.274 95 R C -1.560 174.751 176.300 0.018 0.000 1.029 95 R CA -1.090 55.012 56.100 0.002 0.000 0.880 95 R CB 0.790 31.065 30.300 -0.042 0.000 1.264 95 R HN -0.039 nan 8.270 nan 0.000 0.465 96 V N -1.338 118.617 119.914 0.069 0.000 2.864 96 V HA 0.764 4.881 4.120 -0.004 0.000 0.314 96 V C -0.259 175.911 176.094 0.127 0.000 1.073 96 V CA -0.988 61.355 62.300 0.071 0.000 0.956 96 V CB 1.854 33.711 31.823 0.057 0.000 1.023 96 V HN 0.715 nan 8.190 nan 0.000 0.435 97 I N 2.471 123.113 120.570 0.121 0.000 2.466 97 I HA 0.911 5.078 4.170 -0.004 0.000 0.289 97 I C 0.371 176.617 176.117 0.216 0.000 1.026 97 I CA -0.308 61.102 61.300 0.184 0.000 1.078 97 I CB 1.909 40.002 38.000 0.155 0.000 1.249 97 I HN 1.139 nan 8.210 nan 0.000 0.429 98 G N 4.775 113.756 108.800 0.302 0.000 2.411 98 G HA2 0.377 4.335 3.960 -0.004 0.000 0.295 98 G HA3 0.377 4.335 3.960 -0.004 0.000 0.295 98 G C -2.006 173.037 174.900 0.238 0.000 1.542 98 G CA -0.903 44.333 45.100 0.227 0.000 0.814 98 G HN 0.365 nan 8.290 nan 0.000 0.557 99 L N 1.743 122.899 121.223 -0.112 0.000 2.500 99 L HA 0.504 4.841 4.340 -0.004 0.000 0.272 99 L C 1.489 178.343 176.870 -0.028 0.000 1.149 99 L CA 2.090 56.858 54.840 -0.121 0.000 0.897 99 L CB 0.335 42.068 42.059 -0.542 0.000 1.178 99 L HN 2.183 nan 8.230 nan 0.000 0.473 100 G N 2.700 111.532 108.800 0.053 0.000 2.175 100 G HA2 -0.269 3.689 3.960 -0.004 0.000 0.244 100 G HA3 -0.269 3.689 3.960 -0.004 0.000 0.244 100 G C 0.744 175.636 174.900 -0.014 0.000 0.982 100 G CA 0.743 45.852 45.100 0.016 0.000 0.641 100 G HN 1.258 nan 8.290 nan 0.000 0.527 101 V N -1.986 117.935 119.914 0.013 0.000 2.490 101 V HA -0.072 4.045 4.120 -0.004 0.000 0.250 101 V C 2.535 178.593 176.094 -0.059 0.000 1.061 101 V CA 2.441 64.735 62.300 -0.009 0.000 1.064 101 V CB -0.900 30.946 31.823 0.037 0.000 0.670 101 V HN 0.969 nan 8.190 nan 0.000 0.461 102 C N 0.273 119.527 119.300 -0.077 0.000 2.513 102 C HA 0.297 4.755 4.460 -0.004 0.000 0.292 102 C C 1.024 175.916 174.990 -0.164 0.000 1.359 102 C CA 0.755 59.685 59.018 -0.146 0.000 1.778 102 C CB -0.536 27.083 27.740 -0.202 0.000 2.180 102 C HN 0.730 nan 8.230 nan 0.000 0.509 103 D N 0.390 120.723 120.400 -0.111 0.000 2.408 103 D HA 0.389 5.026 4.640 -0.004 0.000 0.261 103 D C -0.494 175.768 176.300 -0.064 0.000 1.190 103 D CA -0.112 53.834 54.000 -0.091 0.000 0.910 103 D CB 0.571 41.347 40.800 -0.041 0.000 1.097 103 D HN 0.297 nan 8.370 nan 0.000 0.522 104 I N 2.885 123.317 120.570 -0.230 0.000 3.297 104 I HA 0.212 4.380 4.170 -0.004 0.000 0.321 104 I C 0.909 176.877 176.117 -0.248 0.000 1.503 104 I CA -0.110 61.020 61.300 -0.282 0.000 0.929 104 I CB 0.068 37.837 38.000 -0.386 0.000 1.531 104 I HN 0.171 nan 8.210 nan 0.000 0.599 105 K N 0.223 120.522 120.400 -0.169 0.000 2.280 105 K HA 0.015 4.332 4.320 -0.004 0.000 0.202 105 K C 1.944 178.483 176.600 -0.101 0.000 1.047 105 K CA 1.204 57.421 56.287 -0.117 0.000 0.942 105 K CB -0.143 32.317 32.500 -0.067 0.000 0.739 105 K HN 0.578 nan 8.250 nan 0.000 0.457 106 G N 1.349 110.076 108.800 -0.121 0.000 2.442 106 G HA2 -0.287 3.670 3.960 -0.004 0.000 0.219 106 G HA3 -0.287 3.670 3.960 -0.004 0.000 0.219 106 G C 1.588 176.402 174.900 -0.144 0.000 1.141 106 G CA 0.984 46.017 45.100 -0.112 0.000 0.763 106 G HN 0.357 nan 8.290 nan 0.000 0.554 107 A N 1.075 123.740 122.820 -0.259 0.000 1.898 107 A HA 0.344 4.662 4.320 -0.004 0.000 0.216 107 A C 2.811 180.366 177.584 -0.049 0.000 1.181 107 A CA 2.070 53.933 52.037 -0.290 0.000 0.620 107 A CB -0.727 18.014 19.000 -0.431 0.000 0.819 107 A HN 0.748 nan 8.150 nan 0.000 0.442 108 A N -0.018 122.767 122.820 -0.057 0.000 1.902 108 A HA 0.152 4.469 4.320 -0.004 0.000 0.217 108 A C 2.496 180.043 177.584 -0.062 0.000 1.181 108 A CA 2.081 54.124 52.037 0.010 0.000 0.623 108 A CB -0.996 17.995 19.000 -0.015 0.000 0.818 108 A HN 1.027 nan 8.150 nan 0.000 0.443 109 A N -0.142 122.657 122.820 -0.036 0.000 1.902 109 A HA 0.153 4.471 4.320 -0.004 0.000 0.217 109 A C 2.509 180.103 177.584 0.016 0.000 1.181 109 A CA 2.132 54.176 52.037 0.012 0.000 0.623 109 A CB -1.012 18.030 19.000 0.071 0.000 0.818 109 A HN 1.054 nan 8.150 nan 0.000 0.443 110 A N -0.352 122.498 122.820 0.050 0.000 1.902 110 A HA -0.016 4.301 4.320 -0.004 0.000 0.217 110 A C 2.168 179.735 177.584 -0.029 0.000 1.181 110 A CA 1.450 53.536 52.037 0.081 0.000 0.623 110 A CB -0.586 18.571 19.000 0.262 0.000 0.818 110 A HN 0.466 nan 8.150 nan 0.000 0.443 111 L N -0.568 120.581 121.223 -0.123 0.000 2.083 111 L HA -0.150 4.187 4.340 -0.004 0.000 0.209 111 L C 2.495 179.235 176.870 -0.217 0.000 1.083 111 L CA 0.936 55.569 54.840 -0.344 0.000 0.752 111 L CB -0.449 41.142 42.059 -0.779 0.000 0.899 111 L HN 0.250 nan 8.230 nan 0.000 0.433 112 V N -0.103 119.679 119.914 -0.219 0.000 2.358 112 V HA -0.254 3.863 4.120 -0.004 0.000 0.246 112 V C 2.730 178.715 176.094 -0.182 0.000 1.047 112 V CA 1.675 63.823 62.300 -0.254 0.000 1.035 112 V CB -0.775 30.718 31.823 -0.550 0.000 0.658 112 V HN 0.469 nan 8.190 nan 0.000 0.452 113 A N 0.174 122.943 122.820 -0.085 0.000 1.883 113 A HA -0.157 4.160 4.320 -0.004 0.000 0.217 113 A C 2.431 180.063 177.584 0.081 0.000 1.186 113 A CA 2.199 54.295 52.037 0.099 0.000 0.624 113 A CB -0.823 18.271 19.000 0.157 0.000 0.822 113 A HN 0.570 nan 8.150 nan 0.000 0.444 114 A N -0.248 122.604 122.820 0.053 0.000 1.933 114 A HA 0.174 4.492 4.320 -0.004 0.000 0.218 114 A C 2.464 180.132 177.584 0.141 0.000 1.175 114 A CA 1.984 54.065 52.037 0.075 0.000 0.628 114 A CB -0.952 18.066 19.000 0.030 0.000 0.814 114 A HN 1.110 nan 8.150 nan 0.000 0.444 115 A N -0.152 122.788 122.820 0.200 0.000 2.019 115 A HA -0.143 4.174 4.320 -0.004 0.000 0.219 115 A C 1.738 179.446 177.584 0.206 0.000 1.164 115 A CA 1.505 53.715 52.037 0.289 0.000 0.644 115 A CB -0.429 18.740 19.000 0.282 0.000 0.805 115 A HN 0.567 nan 8.150 nan 0.000 0.449 116 N N -0.735 118.045 118.700 0.134 0.000 2.280 116 N HA 0.204 4.942 4.740 -0.004 0.000 0.192 116 N C 1.052 176.624 175.510 0.104 0.000 1.109 116 N CA 0.808 53.930 53.050 0.119 0.000 0.855 116 N CB 0.456 39.020 38.487 0.128 0.000 0.974 116 N HN 0.463 nan 8.380 nan 0.000 0.482 117 A N -0.050 122.829 122.820 0.099 0.000 2.390 117 A HA 0.548 4.865 4.320 -0.004 0.000 0.232 117 A C 0.881 178.504 177.584 0.066 0.000 1.233 117 A CA 0.197 52.280 52.037 0.077 0.000 0.907 117 A CB 0.443 19.486 19.000 0.071 0.000 0.967 117 A HN 0.210 nan 8.150 nan 0.000 0.512 118 G N -0.422 108.423 108.800 0.074 0.000 2.466 118 G HA2 0.410 4.368 3.960 -0.004 0.000 0.291 118 G HA3 0.410 4.368 3.960 -0.004 0.000 0.291 118 G C -1.357 173.576 174.900 0.055 0.000 1.460 118 G CA 0.100 45.234 45.100 0.056 0.000 0.791 118 G HN 0.116 nan 8.290 nan 0.000 0.505 119 D N -0.557 119.857 120.400 0.023 0.000 2.525 119 D HA 0.376 5.014 4.640 -0.004 0.000 0.229 119 D C 1.140 177.412 176.300 -0.047 0.000 1.202 119 D CA 0.147 54.139 54.000 -0.013 0.000 0.828 119 D CB 0.405 41.192 40.800 -0.022 0.000 1.008 119 D HN 0.650 nan 8.370 nan 0.000 0.493 120 G N -0.073 108.718 108.800 -0.016 0.000 2.594 120 G HA2 0.151 4.108 3.960 -0.004 0.000 0.243 120 G HA3 0.151 4.108 3.960 -0.004 0.000 0.243 120 G C 0.018 174.875 174.900 -0.073 0.000 1.229 120 G CA -0.553 44.536 45.100 -0.018 0.000 0.843 120 G HN 0.068 nan 8.290 nan 0.000 0.578 121 D N 0.018 120.382 120.400 -0.060 0.000 2.443 121 D HA 0.450 5.088 4.640 -0.004 0.000 0.239 121 D C 0.436 176.707 176.300 -0.048 0.000 1.136 121 D CA 1.068 55.008 54.000 -0.101 0.000 0.879 121 D CB 1.445 42.218 40.800 -0.045 0.000 1.195 121 D HN 0.628 nan 8.370 nan 0.000 0.443 122 A N 0.436 123.171 122.820 -0.141 0.000 2.605 122 A HA 0.685 5.003 4.320 -0.004 0.000 0.294 122 A C -1.670 175.868 177.584 -0.078 0.000 1.062 122 A CA -0.570 51.444 52.037 -0.038 0.000 0.682 122 A CB 1.656 20.599 19.000 -0.095 0.000 1.278 122 A HN 0.566 nan 8.150 nan 0.000 0.410 123 A N 1.183 124.054 122.820 0.086 0.000 2.353 123 A HA 0.817 5.134 4.320 -0.004 0.000 0.299 123 A C -1.111 176.634 177.584 0.268 0.000 1.089 123 A CA -0.319 51.797 52.037 0.132 0.000 0.736 123 A CB 0.553 19.730 19.000 0.295 0.000 1.195 123 A HN 0.836 nan 8.150 nan 0.000 0.447 124 F N 1.730 121.753 119.950 0.123 0.000 2.532 124 F HA 0.634 5.158 4.527 -0.004 0.000 0.321 124 F C -0.313 175.385 175.800 -0.169 0.000 1.089 124 F CA -1.152 56.752 58.000 -0.160 0.000 0.926 124 F CB 2.336 41.110 39.000 -0.376 0.000 1.168 124 F HN 0.449 nan 8.300 nan 0.000 0.459 125 L N 4.315 125.429 121.223 -0.183 0.000 2.427 125 L HA 0.518 4.856 4.340 -0.004 0.000 0.264 125 L C -1.735 174.997 176.870 -0.230 0.000 0.989 125 L CA -0.321 54.437 54.840 -0.138 0.000 0.865 125 L CB 0.511 42.350 42.059 -0.366 0.000 1.209 125 L HN 0.358 nan 8.230 nan 0.000 0.430 126 F N 3.188 123.240 119.950 0.169 0.000 2.410 126 F HA 0.660 5.184 4.527 -0.004 0.000 0.349 126 F C 0.885 176.832 175.800 0.244 0.000 1.117 126 F CA -0.195 57.895 58.000 0.149 0.000 1.104 126 F CB 1.731 40.796 39.000 0.110 0.000 1.122 126 F HN 0.583 nan 8.300 nan 0.000 0.483 127 S N 0.233 116.159 115.700 0.378 0.000 2.726 127 S HA 0.672 5.140 4.470 -0.004 0.000 0.308 127 S C 0.052 174.872 174.600 0.366 0.000 1.115 127 S CA -0.268 58.143 58.200 0.351 0.000 0.965 127 S CB 1.654 64.999 63.200 0.242 0.000 1.145 127 S HN 0.595 nan 8.310 nan 0.000 0.532 128 S N -1.317 114.580 115.700 0.328 0.000 3.073 128 S HA 0.281 4.748 4.470 -0.004 0.000 0.252 128 S C -0.727 173.985 174.600 0.188 0.000 0.953 128 S CA -0.141 58.228 58.200 0.283 0.000 1.105 128 S CB -0.460 62.958 63.200 0.363 0.000 1.070 128 S HN 0.776 nan 8.310 nan 0.000 0.574 129 D N -0.348 120.141 120.400 0.148 0.000 2.692 129 D HA 0.151 4.789 4.640 -0.004 0.000 0.290 129 D C 0.948 177.266 176.300 0.031 0.000 1.455 129 D CA -0.313 53.736 54.000 0.082 0.000 0.796 129 D CB -0.060 40.794 40.800 0.090 0.000 1.131 129 D HN 0.215 nan 8.370 nan 0.000 0.467 130 E N 1.210 121.389 120.200 -0.035 0.000 2.158 130 E HA -0.113 4.234 4.350 -0.004 0.000 0.191 130 E C 0.899 177.397 176.600 -0.171 0.000 0.982 130 E CA 0.783 57.112 56.400 -0.118 0.000 0.823 130 E CB 0.281 29.761 29.700 -0.367 0.000 0.766 130 E HN 0.273 nan 8.360 nan 0.000 0.468 131 E N 0.111 120.182 120.200 -0.215 0.000 2.511 131 E HA 0.086 4.434 4.350 -0.004 0.000 0.196 131 E C 0.443 176.929 176.600 -0.191 0.000 1.066 131 E CA 0.287 56.575 56.400 -0.188 0.000 0.871 131 E CB 0.548 30.155 29.700 -0.155 0.000 0.863 131 E HN 0.196 nan 8.360 nan 0.000 0.520 132 A N 0.405 123.118 122.820 -0.179 0.000 2.535 132 A HA 0.472 4.789 4.320 -0.004 0.000 0.296 132 A C -0.309 177.155 177.584 -0.201 0.000 1.248 132 A CA -0.792 51.125 52.037 -0.199 0.000 0.686 132 A CB 0.806 19.734 19.000 -0.119 0.000 1.315 132 A HN -0.062 nan 8.150 nan 0.000 0.460 133 N N 0.241 118.857 118.700 -0.140 0.000 2.327 133 N HA 0.306 5.043 4.740 -0.004 0.000 0.257 133 N C -0.361 175.169 175.510 0.034 0.000 1.281 133 N CA 0.941 53.978 53.050 -0.021 0.000 0.942 133 N CB 0.252 38.740 38.487 0.003 0.000 1.199 133 N HN 0.788 nan 8.380 nan 0.000 0.532 134 D N -1.373 119.074 120.400 0.078 0.000 2.723 134 D HA -0.108 4.529 4.640 -0.004 0.000 0.236 134 D C -2.345 173.993 176.300 0.063 0.000 1.138 134 D CA -0.037 53.997 54.000 0.057 0.000 0.676 134 D CB -0.622 40.197 40.800 0.031 0.000 1.069 134 D HN 0.340 nan 8.370 nan 0.000 0.430 135 P HA 0.203 nan 4.420 nan 0.000 0.274 135 P C 0.162 177.485 177.300 0.038 0.000 1.231 135 P CA -0.112 63.040 63.100 0.088 0.000 0.790 135 P CB 1.041 32.838 31.700 0.161 0.000 0.951 136 R N 0.477 120.973 120.500 -0.006 0.000 2.650 136 R HA 0.140 4.477 4.340 -0.004 0.000 0.212 136 R C 2.078 178.211 176.300 -0.279 0.000 0.904 136 R CA 0.225 56.265 56.100 -0.099 0.000 1.021 136 R CB -0.715 29.547 30.300 -0.063 0.000 1.519 136 R HN 0.384 nan 8.270 nan 0.000 0.639 137 C N 1.634 120.793 119.300 -0.236 0.000 2.388 137 C HA -0.119 4.338 4.460 -0.004 0.000 0.277 137 C C 2.481 177.390 174.990 -0.134 0.000 1.210 137 C CA 0.710 59.570 59.018 -0.264 0.000 1.743 137 C CB -0.628 27.138 27.740 0.043 0.000 2.047 137 C HN 0.347 nan 8.230 nan 0.000 0.458 138 I N 1.649 122.180 120.570 -0.066 0.000 2.252 138 I HA -0.139 4.028 4.170 -0.004 0.000 0.245 138 I C 2.788 178.844 176.117 -0.102 0.000 1.102 138 I CA 1.905 63.140 61.300 -0.109 0.000 1.385 138 I CB -1.916 35.960 38.000 -0.208 0.000 1.064 138 I HN 0.299 nan 8.210 nan 0.000 0.414 139 A N 1.080 123.846 122.820 -0.091 0.000 1.908 139 A HA -0.166 4.151 4.320 -0.004 0.000 0.218 139 A C 2.584 180.134 177.584 -0.056 0.000 1.181 139 A CA 2.262 54.257 52.037 -0.070 0.000 0.627 139 A CB -0.850 18.116 19.000 -0.057 0.000 0.818 139 A HN 0.419 nan 8.150 nan 0.000 0.445 140 A N -1.440 121.326 122.820 -0.090 0.000 1.902 140 A HA -0.037 4.281 4.320 -0.004 0.000 0.217 140 A C 2.060 179.659 177.584 0.025 0.000 1.181 140 A CA 1.614 53.619 52.037 -0.053 0.000 0.623 140 A CB -0.688 18.216 19.000 -0.159 0.000 0.818 140 A HN 0.678 nan 8.150 nan 0.000 0.443 141 F N 0.610 120.509 119.950 -0.085 0.000 2.146 141 F HA -0.092 4.432 4.527 -0.005 0.000 0.298 141 F C 1.874 177.664 175.800 -0.017 0.000 1.096 141 F CA 1.527 59.493 58.000 -0.057 0.000 1.275 141 F CB -0.239 38.720 39.000 -0.067 0.000 1.008 141 F HN 0.128 nan 8.300 nan 0.000 0.480 142 L N -0.025 121.208 121.223 0.017 0.000 2.127 142 L HA -0.202 4.135 4.340 -0.004 0.000 0.211 142 L C 2.628 179.466 176.870 -0.054 0.000 1.089 142 L CA 1.042 55.888 54.840 0.011 0.000 0.757 142 L CB -1.171 40.901 42.059 0.023 0.000 0.899 142 L HN 0.240 nan 8.230 nan 0.000 0.434 143 A N -0.005 122.774 122.820 -0.068 0.000 2.172 143 A HA -0.129 4.188 4.320 -0.004 0.000 0.216 143 A C 2.227 179.759 177.584 -0.087 0.000 1.154 143 A CA 0.963 52.965 52.037 -0.059 0.000 0.701 143 A CB -0.413 18.566 19.000 -0.036 0.000 0.789 143 A HN 0.385 nan 8.150 nan 0.000 0.465 144 R N -1.086 119.311 120.500 -0.172 0.000 2.276 144 R HA 0.177 4.515 4.340 -0.004 0.000 0.196 144 R C 1.186 177.397 176.300 -0.149 0.000 0.961 144 R CA 0.398 56.389 56.100 -0.182 0.000 1.024 144 R CB -0.115 30.005 30.300 -0.300 0.000 0.940 144 R HN 0.541 nan 8.270 nan 0.000 0.480 145 G N 2.294 111.020 108.800 -0.124 0.000 2.393 145 G HA2 -0.272 3.685 3.960 -0.004 0.000 0.299 145 G HA3 -0.272 3.685 3.960 -0.004 0.000 0.299 145 G C -0.132 174.744 174.900 -0.040 0.000 0.990 145 G CA 0.118 45.179 45.100 -0.064 0.000 1.118 145 G HN 0.191 nan 8.290 nan 0.000 0.513 146 L N 1.615 122.833 121.223 -0.009 0.000 2.290 146 L HA 0.367 4.704 4.340 -0.004 0.000 0.284 146 L C -1.177 175.803 176.870 0.184 0.000 1.078 146 L CA -2.033 52.845 54.840 0.063 0.000 0.815 146 L CB 1.125 43.248 42.059 0.107 0.000 1.162 146 L HN 0.095 nan 8.230 nan 0.000 0.435 147 P HA 0.137 nan 4.420 nan 0.000 0.271 147 P C -1.525 175.634 177.300 -0.235 0.000 1.216 147 P CA 0.132 63.196 63.100 -0.060 0.000 0.771 147 P CB 0.537 32.164 31.700 -0.121 0.000 0.864 148 Y N 0.316 120.772 120.300 0.260 0.000 2.480 148 Y HA 0.090 4.638 4.550 -0.005 0.000 0.329 148 Y C 1.041 177.038 175.900 0.162 0.000 1.127 148 Y CA -0.654 57.571 58.100 0.209 0.000 1.037 148 Y CB 1.709 40.338 38.460 0.282 0.000 1.320 148 Y HN 0.230 nan 8.280 nan 0.000 0.446 149 D N 1.778 122.267 120.400 0.148 0.000 2.219 149 D HA 0.141 4.779 4.640 -0.004 0.000 0.205 149 D C 0.296 176.730 176.300 0.223 0.000 0.970 149 D CA 1.433 55.489 54.000 0.093 0.000 0.851 149 D CB 0.359 41.109 40.800 -0.083 0.000 0.943 149 D HN 0.511 nan 8.370 nan 0.000 0.488 150 A N -0.769 122.231 122.820 0.301 0.000 2.597 150 A HA 0.531 4.848 4.320 -0.004 0.000 0.292 150 A C -1.580 176.046 177.584 0.071 0.000 1.057 150 A CA -0.630 51.553 52.037 0.245 0.000 0.674 150 A CB 1.408 20.558 19.000 0.250 0.000 1.278 150 A HN -0.132 nan 8.150 nan 0.000 0.416 151 V N 1.349 121.182 119.914 -0.134 0.000 2.487 151 V HA 0.513 4.630 4.120 -0.004 0.000 0.298 151 V C -1.065 174.786 176.094 -0.404 0.000 1.028 151 V CA -0.339 61.685 62.300 -0.459 0.000 0.860 151 V CB 1.263 32.548 31.823 -0.895 0.000 0.991 151 V HN 0.671 nan 8.190 nan 0.000 0.427 152 L N 5.829 126.781 121.223 -0.451 0.000 2.265 152 L HA 0.541 4.878 4.340 -0.004 0.000 0.289 152 L C -0.130 176.631 176.870 -0.182 0.000 1.033 152 L CA -0.075 54.598 54.840 -0.279 0.000 0.814 152 L CB 1.632 43.494 42.059 -0.329 0.000 1.203 152 L HN 0.384 nan 8.230 nan 0.000 0.423 153 V N 2.872 122.728 119.914 -0.096 0.000 2.407 153 V HA 0.651 4.768 4.120 -0.004 0.000 0.278 153 V C 0.532 176.663 176.094 0.062 0.000 1.037 153 V CA -0.777 61.501 62.300 -0.037 0.000 0.900 153 V CB 1.470 33.290 31.823 -0.006 0.000 0.983 153 V HN 0.837 nan 8.190 nan 0.000 0.459 154 A N 5.189 128.042 122.820 0.055 0.000 2.362 154 A HA 0.723 5.040 4.320 -0.004 0.000 0.276 154 A C -0.003 177.573 177.584 -0.013 0.000 1.153 154 A CA -0.174 51.868 52.037 0.009 0.000 0.813 154 A CB 0.234 19.200 19.000 -0.057 0.000 1.081 154 A HN 0.781 nan 8.150 nan 0.000 0.507 155 E N 1.961 122.141 120.200 -0.033 0.000 2.407 155 E HA 0.353 4.700 4.350 -0.004 0.000 0.279 155 E C -3.088 173.455 176.600 -0.094 0.000 1.012 155 E CA -1.749 54.631 56.400 -0.032 0.000 0.800 155 E CB 1.842 31.613 29.700 0.119 0.000 1.276 155 E HN 0.391 nan 8.360 nan 0.000 0.452 156 P HA 0.056 nan 4.420 nan 0.000 0.269 156 P C 0.304 177.595 177.300 -0.017 0.000 1.252 156 P CA 0.135 63.131 63.100 -0.172 0.000 0.780 156 P CB -0.075 31.475 31.700 -0.249 0.000 0.829 157 T N -0.357 114.199 114.554 0.003 0.000 3.337 157 T HA 0.163 4.510 4.350 -0.004 0.000 0.299 157 T C 0.820 175.554 174.700 0.057 0.000 0.998 157 T CA -0.441 61.721 62.100 0.105 0.000 0.948 157 T CB -0.374 68.586 68.868 0.153 0.000 1.170 157 T HN 0.103 nan 8.240 nan 0.000 0.508 158 M N 1.102 120.699 119.600 -0.005 0.000 2.393 158 M HA -0.205 4.272 4.480 -0.004 0.000 0.201 158 M C 0.567 176.885 176.300 0.029 0.000 0.403 158 M CA 0.906 56.208 55.300 0.003 0.000 0.471 158 M CB -3.091 29.528 32.600 0.032 0.000 1.669 158 M HN 0.694 nan 8.290 nan 0.000 0.864 159 S N -0.714 114.973 115.700 -0.023 0.000 3.682 159 S HA -0.164 4.303 4.470 -0.004 0.000 0.354 159 S C 0.217 175.002 174.600 0.308 0.000 1.034 159 S CA 1.480 59.696 58.200 0.027 0.000 1.084 159 S CB -0.832 62.422 63.200 0.089 0.000 0.903 159 S HN 0.733 nan 8.310 nan 0.000 0.470 160 E N -0.023 120.361 120.200 0.306 0.000 2.288 160 E HA 0.642 4.990 4.350 -0.004 0.000 0.268 160 E C -0.157 176.668 176.600 0.374 0.000 0.885 160 E CA -0.718 55.864 56.400 0.304 0.000 0.767 160 E CB 1.883 31.681 29.700 0.163 0.000 1.220 160 E HN 0.340 nan 8.360 nan 0.000 0.427 161 A N 2.289 125.242 122.820 0.223 0.000 2.396 161 A HA 0.323 4.641 4.320 -0.004 0.000 0.279 161 A C -0.172 177.475 177.584 0.106 0.000 1.165 161 A CA -0.351 51.766 52.037 0.133 0.000 0.824 161 A CB 0.097 19.063 19.000 -0.056 0.000 1.100 161 A HN 0.319 nan 8.150 nan 0.000 0.516 162 V N 4.950 124.937 119.914 0.123 0.000 2.394 162 V HA 0.188 4.306 4.120 -0.004 0.000 0.282 162 V C 0.885 177.016 176.094 0.062 0.000 1.031 162 V CA -0.116 62.233 62.300 0.082 0.000 0.881 162 V CB 1.252 33.117 31.823 0.070 0.000 0.982 162 V HN 0.874 nan 8.190 nan 0.000 0.451 163 L N 3.643 124.897 121.223 0.051 0.000 2.616 163 L HA 0.619 4.956 4.340 -0.004 0.000 0.229 163 L C 0.725 177.620 176.870 0.041 0.000 1.110 163 L CA 0.358 55.224 54.840 0.043 0.000 0.884 163 L CB 0.112 42.199 42.059 0.047 0.000 1.115 163 L HN 0.703 nan 8.230 nan 0.000 0.481 164 A N 0.026 122.874 122.820 0.048 0.000 2.594 164 A HA 0.707 5.024 4.320 -0.004 0.000 0.295 164 A C -1.186 176.406 177.584 0.013 0.000 1.071 164 A CA -0.460 51.586 52.037 0.014 0.000 0.685 164 A CB 1.276 20.419 19.000 0.238 0.000 1.285 164 A HN 0.339 nan 8.150 nan 0.000 0.405 165 H N -0.244 118.791 119.070 -0.060 0.000 3.003 165 H HA 0.561 5.114 4.556 -0.004 0.000 0.327 165 H C -0.961 174.346 175.328 -0.034 0.000 1.353 165 H CA -0.995 54.995 56.048 -0.097 0.000 1.142 165 H CB 0.787 30.416 29.762 -0.222 0.000 1.864 165 H HN 0.725 nan 8.280 nan 0.000 0.529 166 R N 0.257 120.921 120.500 0.272 0.000 2.707 166 R HA 0.322 4.660 4.340 -0.004 0.000 0.270 166 R C 0.777 177.350 176.300 0.454 0.000 1.083 166 R CA 0.300 56.553 56.100 0.256 0.000 1.182 166 R CB 0.506 30.936 30.300 0.217 0.000 1.084 166 R HN 0.693 nan 8.270 nan 0.000 0.528 167 G N 0.366 109.355 108.800 0.315 0.000 2.525 167 G HA2 0.521 4.479 3.960 -0.004 0.000 0.287 167 G HA3 0.521 4.479 3.960 -0.004 0.000 0.287 167 G C -0.809 174.202 174.900 0.184 0.000 1.350 167 G CA -0.560 44.742 45.100 0.337 0.000 1.039 167 G HN 0.506 nan 8.290 nan 0.000 0.513 168 I N -1.275 119.241 120.570 -0.090 0.000 2.775 168 I HA 0.579 4.746 4.170 -0.004 0.000 0.295 168 I C -1.113 174.791 176.117 -0.355 0.000 1.287 168 I CA -0.650 60.521 61.300 -0.215 0.000 1.029 168 I CB 2.230 40.077 38.000 -0.255 0.000 1.282 168 I HN 0.628 nan 8.210 nan 0.000 0.426 169 S N 4.103 119.503 115.700 -0.500 0.000 2.540 169 S HA 0.780 5.248 4.470 -0.004 0.000 0.275 169 S C -1.285 173.000 174.600 -0.526 0.000 1.123 169 S CA -0.284 57.542 58.200 -0.624 0.000 0.907 169 S CB 1.640 64.115 63.200 -1.207 0.000 1.081 169 S HN 0.733 nan 8.310 nan 0.000 0.476 170 S N 2.444 117.917 115.700 -0.379 0.000 2.538 170 S HA 0.858 5.325 4.470 -0.004 0.000 0.288 170 S C -1.175 173.152 174.600 -0.454 0.000 1.108 170 S CA -0.622 57.355 58.200 -0.371 0.000 0.971 170 S CB 1.405 64.468 63.200 -0.227 0.000 1.041 170 S HN 0.672 nan 8.310 nan 0.000 0.483 171 V N 2.889 122.403 119.914 -0.668 0.000 2.789 171 V HA 0.625 4.742 4.120 -0.004 0.000 0.311 171 V C -1.112 174.637 176.094 -0.575 0.000 1.073 171 V CA -0.805 61.037 62.300 -0.763 0.000 0.921 171 V CB 1.816 32.880 31.823 -1.265 0.000 1.009 171 V HN 0.942 nan 8.190 nan 0.000 0.426 172 L N 5.082 126.045 121.223 -0.432 0.000 2.305 172 L HA 0.744 5.081 4.340 -0.004 0.000 0.284 172 L C -0.576 176.152 176.870 -0.237 0.000 1.013 172 L CA 0.067 54.767 54.840 -0.232 0.000 0.819 172 L CB 1.219 43.221 42.059 -0.095 0.000 1.227 172 L HN 0.692 nan 8.230 nan 0.000 0.417 173 M N 5.238 124.739 119.600 -0.165 0.000 2.465 173 M HA 0.591 5.068 4.480 -0.004 0.000 0.316 173 M C -0.686 175.531 176.300 -0.139 0.000 1.121 173 M CA -0.571 54.601 55.300 -0.213 0.000 0.934 173 M CB 2.365 34.755 32.600 -0.348 0.000 1.692 173 M HN 0.498 nan 8.290 nan 0.000 0.444 174 R N 1.905 122.297 120.500 -0.180 0.000 2.532 174 R HA 0.569 4.906 4.340 -0.004 0.000 0.297 174 R C -1.791 174.389 176.300 -0.201 0.000 0.984 174 R CA -0.445 55.607 56.100 -0.079 0.000 0.884 174 R CB 1.905 32.204 30.300 -0.002 0.000 1.182 174 R HN 0.476 nan 8.270 nan 0.000 0.442 175 F N 1.239 121.207 119.950 0.028 0.000 2.422 175 F HA 0.632 5.155 4.527 -0.006 0.000 0.333 175 F C 0.442 176.262 175.800 0.034 0.000 1.095 175 F CA -0.684 57.339 58.000 0.037 0.000 1.038 175 F CB 1.993 41.017 39.000 0.040 0.000 1.156 175 F HN 0.460 nan 8.300 nan 0.000 0.483 176 A N 1.712 124.652 122.820 0.200 0.000 2.356 176 A HA 0.704 5.022 4.320 -0.004 0.000 0.310 176 A C -0.007 177.643 177.584 0.111 0.000 1.075 176 A CA -0.631 51.478 52.037 0.121 0.000 0.746 176 A CB 0.713 19.757 19.000 0.073 0.000 1.221 176 A HN 0.945 nan 8.150 nan 0.000 0.443 177 G N 0.944 109.790 108.800 0.076 0.000 2.484 177 G HA2 0.388 4.346 3.960 -0.004 0.000 0.235 177 G HA3 0.388 4.346 3.960 -0.004 0.000 0.235 177 G C 0.173 175.100 174.900 0.045 0.000 1.282 177 G CA -0.332 44.798 45.100 0.049 0.000 0.857 177 G HN 0.784 nan 8.290 nan 0.000 0.571 178 R N 2.192 122.717 120.500 0.041 0.000 2.287 178 R HA 0.418 4.756 4.340 -0.004 0.000 0.316 178 R C 0.382 176.696 176.300 0.023 0.000 1.050 178 R CA -0.560 55.562 56.100 0.037 0.000 0.983 178 R CB 0.643 30.972 30.300 0.048 0.000 1.140 178 R HN 0.472 nan 8.270 nan 0.000 0.528 179 A N 3.193 126.023 122.820 0.017 0.000 2.728 179 A HA 0.315 4.632 4.320 -0.004 0.000 0.258 179 A C 0.355 177.947 177.584 0.013 0.000 1.454 179 A CA 0.078 52.121 52.037 0.010 0.000 1.146 179 A CB -0.044 18.960 19.000 0.007 0.000 0.985 179 A HN 0.749 nan 8.150 nan 0.000 0.603 188 P HA 0.041 nan 4.420 nan 0.000 0.226 188 P C 0.727 178.067 177.300 0.067 0.000 1.153 188 P CA 0.318 63.453 63.100 0.059 0.000 0.777 188 P CB 0.313 32.048 31.700 0.059 0.000 0.794 189 A N -0.413 122.439 122.820 0.053 0.000 2.345 189 A HA 0.522 4.839 4.320 -0.004 0.000 0.225 189 A C 2.147 179.749 177.584 0.029 0.000 1.243 189 A CA 0.511 52.584 52.037 0.060 0.000 0.875 189 A CB -0.566 18.479 19.000 0.075 0.000 0.929 189 A HN 0.161 nan 8.150 nan 0.000 0.502 190 A N -0.092 122.726 122.820 -0.003 0.000 1.948 190 A HA -0.042 4.276 4.320 -0.004 0.000 0.220 190 A C 1.635 179.180 177.584 -0.065 0.000 1.177 190 A CA 1.637 53.656 52.037 -0.030 0.000 0.636 190 A CB -0.485 18.488 19.000 -0.044 0.000 0.815 190 A HN 0.651 nan 8.150 nan 0.000 0.449 191 S N -1.344 114.271 115.700 -0.141 0.000 2.457 191 S HA 0.541 5.008 4.470 -0.004 0.000 0.289 191 S C 1.023 175.586 174.600 -0.062 0.000 1.163 191 S CA -0.037 58.047 58.200 -0.194 0.000 1.078 191 S CB 1.308 64.154 63.200 -0.590 0.000 0.987 191 S HN 0.740 nan 8.310 nan 0.000 0.482 192 A N 5.322 128.137 122.820 -0.009 0.000 1.969 192 A HA 0.062 4.380 4.320 -0.004 0.000 0.218 192 A C 1.895 179.462 177.584 -0.028 0.000 1.169 192 A CA 1.043 53.112 52.037 0.053 0.000 0.635 192 A CB -0.562 18.501 19.000 0.105 0.000 0.810 192 A HN 0.860 nan 8.150 nan 0.000 0.445 193 L N -1.659 119.559 121.223 -0.007 0.000 2.109 193 L HA -0.120 4.218 4.340 -0.004 0.000 0.207 193 L C 2.536 179.454 176.870 0.080 0.000 1.086 193 L CA 1.022 55.871 54.840 0.016 0.000 0.760 193 L CB -0.606 41.500 42.059 0.078 0.000 0.910 193 L HN 0.390 nan 8.230 nan 0.000 0.437 194 H N -0.041 118.991 119.070 -0.064 0.000 2.353 194 H HA -0.152 4.401 4.556 -0.005 0.000 0.300 194 H C 2.304 177.585 175.328 -0.078 0.000 1.090 194 H CA 1.150 57.168 56.048 -0.050 0.000 1.327 194 H CB -0.249 29.502 29.762 -0.017 0.000 1.383 194 H HN 0.355 nan 8.280 nan 0.000 0.508 195 Q N -0.189 119.629 119.800 0.030 0.000 2.084 195 Q HA -0.100 4.238 4.340 -0.004 0.000 0.202 195 Q C 2.531 178.339 176.000 -0.319 0.000 0.978 195 Q CA 1.274 57.053 55.803 -0.040 0.000 0.844 195 Q CB -0.132 28.644 28.738 0.064 0.000 0.898 195 Q HN 0.485 nan 8.270 nan 0.000 0.426 196 A N 0.492 122.889 122.820 -0.706 0.000 1.933 196 A HA -0.209 4.108 4.320 -0.004 0.000 0.218 196 A C 2.009 179.504 177.584 -0.149 0.000 1.175 196 A CA 1.421 52.942 52.037 -0.860 0.000 0.628 196 A CB -0.385 18.211 19.000 -0.673 0.000 0.814 196 A HN 0.269 nan 8.150 nan 0.000 0.444 197 M N -0.661 118.887 119.600 -0.087 0.000 2.086 197 M HA -0.069 4.408 4.480 -0.004 0.000 0.261 197 M C 2.045 178.344 176.300 -0.002 0.000 1.067 197 M CA 1.368 56.656 55.300 -0.020 0.000 1.116 197 M CB -0.371 32.197 32.600 -0.052 0.000 1.348 197 M HN 0.238 nan 8.290 nan 0.000 0.407 198 R N -1.579 118.926 120.500 0.009 0.000 2.092 198 R HA -0.165 4.172 4.340 -0.004 0.000 0.231 198 R C 2.031 178.356 176.300 0.042 0.000 1.119 198 R CA 1.493 57.601 56.100 0.014 0.000 0.970 198 R CB -1.626 28.701 30.300 0.045 0.000 0.864 198 R HN 0.639 nan 8.270 nan 0.000 0.440 199 W N 1.418 122.721 121.300 0.005 0.000 2.355 199 W HA -0.110 4.547 4.660 -0.004 0.000 0.309 199 W C 2.151 178.709 176.519 0.065 0.000 1.206 199 W CA 2.096 59.516 57.345 0.125 0.000 1.284 199 W CB -0.798 28.855 29.460 0.322 0.000 1.145 199 W HN 0.165 nan 8.180 nan 0.000 0.502 200 G N 0.156 109.006 108.800 0.084 0.000 2.440 200 G HA2 -0.230 3.727 3.960 -0.004 0.000 0.218 200 G HA3 -0.230 3.727 3.960 -0.004 0.000 0.218 200 G C 1.675 176.403 174.900 -0.287 0.000 1.154 200 G CA 1.161 46.182 45.100 -0.132 0.000 0.767 200 G HN 0.537 nan 8.290 nan 0.000 0.552 201 G N 0.616 109.288 108.800 -0.212 0.000 2.418 201 G HA2 -0.152 3.805 3.960 -0.004 0.000 0.217 201 G HA3 -0.152 3.805 3.960 -0.004 0.000 0.217 201 G C 1.830 176.506 174.900 -0.373 0.000 1.158 201 G CA 1.113 46.076 45.100 -0.228 0.000 0.771 201 G HN 0.482 nan 8.290 nan 0.000 0.545 202 K N 0.521 120.603 120.400 -0.530 0.000 2.057 202 K HA 0.113 4.431 4.320 -0.004 0.000 0.206 202 K C 2.964 178.931 176.600 -1.054 0.000 1.050 202 K CA 0.895 56.652 56.287 -0.883 0.000 0.935 202 K CB -0.197 31.623 32.500 -1.134 0.000 0.715 202 K HN 0.254 nan 8.250 nan 0.000 0.439 203 A N 1.531 123.810 122.820 -0.902 0.000 1.877 203 A HA -0.141 4.177 4.320 -0.004 0.000 0.216 203 A C 2.143 179.405 177.584 -0.535 0.000 1.186 203 A CA 1.306 52.987 52.037 -0.593 0.000 0.620 203 A CB -0.687 17.646 19.000 -1.111 0.000 0.822 203 A HN 0.149 nan 8.150 nan 0.000 0.443 204 L N -0.567 120.371 121.223 -0.475 0.000 2.046 204 L HA -0.185 4.152 4.340 -0.004 0.000 0.208 204 L C 2.095 178.817 176.870 -0.246 0.000 1.077 204 L CA 1.371 56.026 54.840 -0.310 0.000 0.747 204 L CB -0.636 41.336 42.059 -0.144 0.000 0.896 204 L HN 0.294 nan 8.230 nan 0.000 0.432 205 D N -1.205 119.037 120.400 -0.264 0.000 2.117 205 D HA -0.224 4.413 4.640 -0.004 0.000 0.197 205 D C 2.024 178.220 176.300 -0.174 0.000 0.987 205 D CA 1.154 55.028 54.000 -0.211 0.000 0.829 205 D CB -0.239 40.417 40.800 -0.240 0.000 0.961 205 D HN 0.386 nan 8.370 nan 0.000 0.460 206 H N 0.514 119.414 119.070 -0.282 0.000 2.353 206 H HA -0.071 4.480 4.556 -0.009 0.000 0.300 206 H C 2.046 177.278 175.328 -0.159 0.000 1.090 206 H CA 1.033 56.979 56.048 -0.170 0.000 1.327 206 H CB 0.119 29.863 29.762 -0.030 0.000 1.383 206 H HN -0.071 nan 8.280 nan 0.000 0.508 207 V N 1.350 121.132 119.914 -0.220 0.000 2.332 207 V HA -0.252 3.865 4.120 -0.004 0.000 0.248 207 V C 2.491 178.470 176.094 -0.192 0.000 1.055 207 V CA 2.257 64.429 62.300 -0.213 0.000 1.038 207 V CB -0.601 31.093 31.823 -0.215 0.000 0.651 207 V HN 0.500 nan 8.190 nan 0.000 0.450 208 E N 0.578 120.671 120.200 -0.177 0.000 2.153 208 E HA -0.224 4.123 4.350 -0.004 0.000 0.194 208 E C 2.231 178.707 176.600 -0.207 0.000 0.988 208 E CA 1.442 57.747 56.400 -0.159 0.000 0.811 208 E CB -0.132 29.490 29.700 -0.130 0.000 0.746 208 E HN 0.740 nan 8.360 nan 0.000 0.466 209 S N -0.145 115.415 115.700 -0.233 0.000 2.507 209 S HA -0.039 4.429 4.470 -0.004 0.000 0.235 209 S C 1.611 176.064 174.600 -0.244 0.000 0.988 209 S CA 0.418 58.482 58.200 -0.226 0.000 0.944 209 S CB -0.116 62.960 63.200 -0.208 0.000 0.762 209 S HN 0.323 nan 8.310 nan 0.000 0.526 210 L N 0.492 121.555 121.223 -0.266 0.000 2.728 210 L HA 0.442 4.779 4.340 -0.004 0.000 0.238 210 L C 2.424 179.212 176.870 -0.137 0.000 1.143 210 L CA 0.330 55.056 54.840 -0.189 0.000 0.937 210 L CB -0.311 41.632 42.059 -0.194 0.000 1.225 210 L HN 0.367 nan 8.230 nan 0.000 0.507 211 A N -0.376 122.309 122.820 -0.224 0.000 2.076 211 A HA -0.209 4.109 4.320 -0.004 0.000 0.220 211 A C 1.808 179.302 177.584 -0.150 0.000 1.160 211 A CA 1.393 53.301 52.037 -0.215 0.000 0.653 211 A CB -0.530 18.285 19.000 -0.308 0.000 0.801 211 A HN 0.443 nan 8.150 nan 0.000 0.455 212 H N -0.576 118.496 119.070 0.003 0.000 2.548 212 H HA 0.409 4.961 4.556 -0.006 0.000 0.265 212 H C 1.107 176.451 175.328 0.026 0.000 0.969 212 H CA 0.060 56.116 56.048 0.013 0.000 1.155 212 H CB -0.623 29.141 29.762 0.003 0.000 1.394 212 H HN 0.494 nan 8.280 nan 0.000 0.570 213 A N 1.758 124.649 122.820 0.120 0.000 2.477 213 A HA 0.395 4.712 4.320 -0.004 0.000 0.246 213 A C 0.424 178.084 177.584 0.126 0.000 1.078 213 A CA 0.082 52.184 52.037 0.109 0.000 0.770 213 A CB 0.319 19.370 19.000 0.085 0.000 1.011 213 A HN 0.342 nan 8.150 nan 0.000 0.494 214 R N -0.039 120.544 120.500 0.138 0.000 2.740 214 R HA 0.689 5.026 4.340 -0.004 0.000 0.273 214 R C -1.886 174.545 176.300 0.218 0.000 0.998 214 R CA -0.529 55.660 56.100 0.149 0.000 0.900 214 R CB 2.139 32.496 30.300 0.094 0.000 1.223 214 R HN 0.707 nan 8.270 nan 0.000 0.466 215 F N -0.269 119.709 119.950 0.048 0.000 2.670 215 F HA 0.304 4.828 4.527 -0.006 0.000 0.332 215 F C 0.376 176.197 175.800 0.036 0.000 1.179 215 F CA 0.181 58.205 58.000 0.041 0.000 1.076 215 F CB 1.885 40.913 39.000 0.046 0.000 1.322 215 F HN 0.752 nan 8.300 nan 0.000 0.515 216 G N 3.574 112.169 108.800 -0.341 0.000 2.390 216 G HA2 0.118 4.075 3.960 -0.004 0.000 0.299 216 G HA3 0.118 4.075 3.960 -0.004 0.000 0.299 216 G C 1.217 176.127 174.900 0.017 0.000 1.002 216 G CA 1.206 46.219 45.100 -0.144 0.000 0.979 216 G HN 2.377 nan 8.290 nan 0.000 0.513 217 G N -2.007 106.804 108.800 0.017 0.000 2.225 217 G HA2 -0.246 3.711 3.960 -0.004 0.000 0.254 217 G HA3 -0.246 3.711 3.960 -0.004 0.000 0.254 217 G C 0.500 175.450 174.900 0.082 0.000 0.988 217 G CA 0.447 45.574 45.100 0.045 0.000 0.625 217 G HN 1.322 nan 8.290 nan 0.000 0.527 218 L N 2.088 123.388 121.223 0.128 0.000 2.331 218 L HA 0.605 4.942 4.340 -0.004 0.000 0.278 218 L C 0.911 177.868 176.870 0.144 0.000 1.106 218 L CA 0.232 55.160 54.840 0.147 0.000 0.824 218 L CB 1.411 43.588 42.059 0.196 0.000 1.142 218 L HN 0.392 nan 8.230 nan 0.000 0.443 219 T N -0.204 114.424 114.554 0.122 0.000 2.876 219 T HA 0.766 5.114 4.350 -0.004 0.000 0.289 219 T C 0.192 174.957 174.700 0.107 0.000 1.014 219 T CA -0.037 62.131 62.100 0.114 0.000 0.986 219 T CB 1.947 70.874 68.868 0.098 0.000 1.021 219 T HN 1.061 nan 8.240 nan 0.000 0.458 220 G N 1.082 109.939 108.800 0.095 0.000 2.752 220 G HA2 0.014 3.971 3.960 -0.004 0.000 0.234 220 G HA3 0.014 3.971 3.960 -0.004 0.000 0.234 220 G C -0.826 174.143 174.900 0.114 0.000 1.367 220 G CA -0.159 44.986 45.100 0.075 0.000 0.879 220 G HN 1.492 nan 8.290 nan 0.000 0.563 221 L N 0.609 121.905 121.223 0.122 0.000 2.280 221 L HA 0.691 5.029 4.340 -0.004 0.000 0.287 221 L C 0.603 177.629 176.870 0.261 0.000 1.023 221 L CA -0.949 54.013 54.840 0.204 0.000 0.819 221 L CB 1.177 43.356 42.059 0.200 0.000 1.212 221 L HN 0.584 nan 8.230 nan 0.000 0.420 222 R N 4.730 125.398 120.500 0.279 0.000 2.370 222 R HA 0.260 4.598 4.340 -0.004 0.000 0.309 222 R C -1.053 175.497 176.300 0.416 0.000 1.059 222 R CA 0.074 56.343 56.100 0.282 0.000 0.981 222 R CB 0.199 30.633 30.300 0.222 0.000 0.972 222 R HN 0.608 nan 8.270 nan 0.000 0.437 223 F N 2.628 122.710 119.950 0.221 0.000 2.565 223 F HA 0.438 4.964 4.527 -0.001 0.000 0.313 223 F C -0.735 175.186 175.800 0.202 0.000 1.091 223 F CA -0.830 57.326 58.000 0.261 0.000 0.915 223 F CB 1.903 41.029 39.000 0.210 0.000 1.208 223 F HN 0.405 nan 8.300 nan 0.000 0.453 224 N N 6.530 124.894 118.700 -0.561 0.000 2.503 224 N HA 0.302 5.040 4.740 -0.004 0.000 0.287 224 N C -1.880 173.391 175.510 -0.399 0.000 1.096 224 N CA -0.336 52.500 53.050 -0.356 0.000 0.936 224 N CB 1.713 40.149 38.487 -0.085 0.000 1.570 224 N HN 0.707 nan 8.380 nan 0.000 0.504 225 I N 2.993 123.420 120.570 -0.238 0.000 2.281 225 I HA 0.224 4.391 4.170 -0.004 0.000 0.293 225 I C 1.597 177.731 176.117 0.028 0.000 1.085 225 I CA -0.165 61.132 61.300 -0.005 0.000 1.257 225 I CB 1.206 39.290 38.000 0.140 0.000 1.430 225 I HN 0.712 nan 8.210 nan 0.000 0.489 226 G N 6.101 114.917 108.800 0.026 0.000 2.744 226 G HA2 0.051 4.008 3.960 -0.004 0.000 0.211 226 G HA3 0.051 4.008 3.960 -0.004 0.000 0.211 226 G C 0.744 175.661 174.900 0.029 0.000 1.146 226 G CA 0.128 45.238 45.100 0.017 0.000 0.787 226 G HN 0.390 nan 8.290 nan 0.000 0.534 227 R N -0.298 120.231 120.500 0.047 0.000 2.566 227 R HA 0.517 4.854 4.340 -0.004 0.000 0.271 227 R C -2.243 174.099 176.300 0.070 0.000 1.071 227 R CA -0.332 55.794 56.100 0.045 0.000 0.915 227 R CB 1.914 32.227 30.300 0.021 0.000 1.228 227 R HN -0.083 nan 8.270 nan 0.000 0.449 228 V N 3.623 123.577 119.914 0.066 0.000 2.668 228 V HA 0.399 4.516 4.120 -0.004 0.000 0.304 228 V C -1.077 175.051 176.094 0.057 0.000 1.071 228 V CA -0.822 61.525 62.300 0.077 0.000 0.894 228 V CB 2.089 33.962 31.823 0.084 0.000 1.008 228 V HN 0.672 nan 8.190 nan 0.000 0.425 229 D N 3.035 123.469 120.400 0.057 0.000 2.602 229 D HA 0.681 5.319 4.640 -0.004 0.000 0.245 229 D C -0.302 176.026 176.300 0.047 0.000 1.325 229 D CA 0.134 54.160 54.000 0.043 0.000 0.952 229 D CB 1.958 42.777 40.800 0.031 0.000 1.317 229 D HN 0.866 nan 8.370 nan 0.000 0.577 230 G N 0.898 109.723 108.800 0.042 0.000 2.673 230 G HA2 0.711 4.669 3.960 -0.004 0.000 0.292 230 G HA3 0.711 4.669 3.960 -0.004 0.000 0.292 230 G C -0.046 174.873 174.900 0.032 0.000 1.450 230 G CA 0.121 45.246 45.100 0.042 0.000 0.837 230 G HN 0.889 nan 8.290 nan 0.000 0.505 231 G N -1.055 107.761 108.800 0.026 0.000 2.795 231 G HA2 0.051 4.008 3.960 -0.004 0.000 0.664 231 G HA3 0.051 4.008 3.960 -0.004 0.000 0.664 231 G C 0.344 175.254 174.900 0.016 0.000 1.381 231 G CA 0.186 45.298 45.100 0.019 0.000 0.853 231 G HN 1.276 nan 8.290 nan 0.000 0.545 232 I N -0.526 120.052 120.570 0.013 0.000 3.990 232 I HA 0.257 4.425 4.170 -0.004 0.000 0.275 232 I C 0.956 177.080 176.117 0.012 0.000 1.157 232 I CA 0.306 61.613 61.300 0.011 0.000 1.338 232 I CB 0.413 38.418 38.000 0.008 0.000 1.588 232 I HN 0.372 nan 8.210 nan 0.000 0.441 233 K N 0.675 121.082 120.400 0.011 0.000 2.340 233 K HA 0.640 4.957 4.320 -0.004 0.000 0.244 233 K C 0.507 177.117 176.600 0.016 0.000 0.973 233 K CA -0.166 56.128 56.287 0.012 0.000 0.828 233 K CB 2.464 34.969 32.500 0.009 0.000 1.226 233 K HN 0.000 nan 8.250 nan 0.000 0.437 234 A N 1.544 124.374 122.820 0.018 0.000 1.873 234 A HA -0.206 4.111 4.320 -0.004 0.000 0.218 234 A C 1.289 178.889 177.584 0.026 0.000 1.193 234 A CA 1.802 53.852 52.037 0.023 0.000 0.629 234 A CB -0.369 18.643 19.000 0.020 0.000 0.826 234 A HN 0.721 nan 8.150 nan 0.000 0.447 235 N N -1.236 117.475 118.700 0.019 0.000 2.270 235 N HA 0.156 4.893 4.740 -0.004 0.000 0.198 235 N C 0.141 175.656 175.510 0.009 0.000 1.117 235 N CA 0.029 53.090 53.050 0.018 0.000 0.845 235 N CB 0.230 38.727 38.487 0.016 0.000 0.980 235 N HN 0.642 nan 8.380 nan 0.000 0.486 236 M N 1.352 120.956 119.600 0.006 0.000 2.188 236 M HA 0.302 4.780 4.480 -0.004 0.000 0.357 236 M C -0.416 175.876 176.300 -0.014 0.000 1.204 236 M CA -0.390 54.908 55.300 -0.003 0.000 1.095 236 M CB 1.052 33.652 32.600 0.000 0.000 1.604 236 M HN -0.145 nan 8.290 nan 0.000 0.464 237 I N 4.735 125.287 120.570 -0.030 0.000 2.598 237 I HA 0.076 4.243 4.170 -0.004 0.000 0.284 237 I C 0.468 176.558 176.117 -0.044 0.000 1.140 237 I CA -0.255 61.008 61.300 -0.061 0.000 1.420 237 I CB 0.659 38.618 38.000 -0.069 0.000 1.387 237 I HN 0.779 nan 8.210 nan 0.000 0.553 238 A N 10.192 132.982 122.820 -0.051 0.000 2.347 238 A HA 0.352 4.670 4.320 -0.004 0.000 0.287 238 A C -1.312 176.264 177.584 -0.014 0.000 1.199 238 A CA -1.215 50.810 52.037 -0.020 0.000 0.851 238 A CB -0.073 18.924 19.000 -0.005 0.000 1.118 238 A HN 0.607 nan 8.150 nan 0.000 0.525 239 P HA 0.112 nan 4.420 nan 0.000 0.231 239 P C 0.306 177.628 177.300 0.037 0.000 1.168 239 P CA 1.382 64.490 63.100 0.013 0.000 0.779 239 P CB 0.365 32.071 31.700 0.010 0.000 0.844 240 A N -0.731 122.115 122.820 0.043 0.000 2.587 240 A HA 0.755 5.073 4.320 -0.004 0.000 0.293 240 A C -1.596 176.038 177.584 0.083 0.000 1.087 240 A CA -0.292 51.787 52.037 0.070 0.000 0.692 240 A CB 1.715 20.744 19.000 0.047 0.000 1.291 240 A HN 0.131 nan 8.150 nan 0.000 0.407 241 A N 0.638 123.539 122.820 0.135 0.000 2.540 241 A HA 0.678 4.995 4.320 -0.004 0.000 0.297 241 A C -0.933 176.770 177.584 0.199 0.000 1.056 241 A CA -0.103 52.021 52.037 0.144 0.000 0.700 241 A CB 1.113 20.190 19.000 0.128 0.000 1.280 241 A HN 1.058 nan 8.150 nan 0.000 0.398 242 E N 2.078 122.358 120.200 0.133 0.000 2.179 242 E HA 0.711 5.058 4.350 -0.004 0.000 0.275 242 E C -1.652 175.028 176.600 0.133 0.000 0.945 242 E CA -0.551 55.915 56.400 0.110 0.000 0.792 242 E CB 1.439 31.166 29.700 0.046 0.000 1.125 242 E HN 0.709 nan 8.360 nan 0.000 0.397 243 L N 4.222 125.527 121.223 0.135 0.000 2.436 243 L HA 0.575 4.912 4.340 -0.004 0.000 0.268 243 L C -1.386 175.535 176.870 0.085 0.000 0.974 243 L CA -0.579 54.349 54.840 0.146 0.000 0.826 243 L CB 1.555 43.765 42.059 0.251 0.000 1.291 243 L HN 0.620 nan 8.230 nan 0.000 0.406 244 R N 4.970 125.519 120.500 0.082 0.000 2.480 244 R HA 0.647 4.984 4.340 -0.004 0.000 0.306 244 R C -1.413 174.940 176.300 0.089 0.000 0.958 244 R CA -0.475 55.631 56.100 0.010 0.000 0.861 244 R CB 1.857 32.133 30.300 -0.040 0.000 1.171 244 R HN 0.548 nan 8.270 nan 0.000 0.445 245 F N -0.820 119.072 119.950 -0.096 0.000 2.664 245 F HA 0.921 5.445 4.527 -0.005 0.000 0.317 245 F C -0.518 175.210 175.800 -0.120 0.000 1.108 245 F CA -1.048 56.874 58.000 -0.129 0.000 0.957 245 F CB 1.766 40.720 39.000 -0.076 0.000 1.365 245 F HN 0.542 nan 8.300 nan 0.000 0.475 246 G N 0.330 109.099 108.800 -0.052 0.000 2.684 246 G HA2 0.729 4.687 3.960 -0.004 0.000 0.290 246 G HA3 0.729 4.687 3.960 -0.004 0.000 0.290 246 G C -2.181 172.851 174.900 0.220 0.000 1.425 246 G CA -0.813 44.225 45.100 -0.103 0.000 0.822 246 G HN 1.216 nan 8.290 nan 0.000 0.482 247 F N -1.969 118.056 119.950 0.125 0.000 2.686 247 F HA 0.824 5.350 4.527 -0.001 0.000 0.311 247 F C -0.748 175.176 175.800 0.205 0.000 1.128 247 F CA -1.565 56.593 58.000 0.262 0.000 0.946 247 F CB 1.798 41.111 39.000 0.523 0.000 1.336 247 F HN 0.391 nan 8.300 nan 0.000 0.457 248 R N 1.947 122.677 120.500 0.385 0.000 2.415 248 R HA 0.379 4.717 4.340 -0.004 0.000 0.292 248 R C -2.923 173.565 176.300 0.312 0.000 1.295 248 R CA -1.834 54.416 56.100 0.250 0.000 1.137 248 R CB 1.336 31.762 30.300 0.210 0.000 1.135 248 R HN 0.358 nan 8.270 nan 0.000 0.560 249 P HA -0.002 nan 4.420 nan 0.000 0.269 249 P C -0.208 177.193 177.300 0.168 0.000 1.215 249 P CA -0.030 63.244 63.100 0.290 0.000 0.780 249 P CB 1.101 32.991 31.700 0.315 0.000 0.898 250 L N 3.204 124.499 121.223 0.120 0.000 2.439 250 L HA 0.323 4.660 4.340 -0.004 0.000 0.261 250 L C -1.733 175.084 176.870 -0.087 0.000 1.153 250 L CA -2.251 52.600 54.840 0.019 0.000 0.808 250 L CB 0.187 42.288 42.059 0.070 0.000 1.126 250 L HN 0.243 nan 8.230 nan 0.000 0.460 251 P HA 0.020 nan 4.420 nan 0.000 0.266 251 P C 0.133 177.336 177.300 -0.162 0.000 1.195 251 P CA 0.304 63.195 63.100 -0.348 0.000 0.768 251 P CB 1.175 32.411 31.700 -0.774 0.000 0.838 252 S N -1.346 114.318 115.700 -0.060 0.000 2.427 252 S HA -0.169 4.298 4.470 -0.004 0.000 0.253 252 S C 0.624 175.245 174.600 0.035 0.000 1.246 252 S CA 0.733 58.938 58.200 0.009 0.000 1.421 252 S CB -1.860 61.366 63.200 0.043 0.000 1.769 252 S HN 0.549 nan 8.310 nan 0.000 0.620 253 M N 2.071 121.697 119.600 0.044 0.000 2.248 253 M HA 0.122 4.599 4.480 -0.004 0.000 0.337 253 M C 0.355 176.700 176.300 0.076 0.000 1.121 253 M CA 0.339 55.681 55.300 0.070 0.000 1.155 253 M CB 0.149 32.810 32.600 0.103 0.000 1.514 253 M HN 0.077 nan 8.290 nan 0.000 0.452 254 D N 2.687 123.127 120.400 0.067 0.000 2.435 254 D HA 0.153 4.790 4.640 -0.004 0.000 0.230 254 D C 0.657 177.014 176.300 0.095 0.000 1.215 254 D CA -0.199 53.838 54.000 0.062 0.000 0.947 254 D CB 0.607 41.428 40.800 0.035 0.000 1.048 254 D HN 0.336 nan 8.370 nan 0.000 0.512 255 V N 3.435 123.431 119.914 0.136 0.000 2.427 255 V HA -0.181 3.937 4.120 -0.004 0.000 0.248 255 V C 1.807 178.024 176.094 0.204 0.000 1.051 255 V CA 1.380 63.819 62.300 0.231 0.000 1.048 255 V CB -0.295 31.663 31.823 0.225 0.000 0.666 255 V HN 0.489 nan 8.190 nan 0.000 0.456 256 D N 1.146 121.618 120.400 0.120 0.000 2.097 256 D HA -0.132 4.506 4.640 -0.004 0.000 0.195 256 D C 2.242 178.577 176.300 0.059 0.000 0.989 256 D CA 1.823 55.879 54.000 0.092 0.000 0.827 256 D CB -0.542 40.288 40.800 0.049 0.000 0.966 256 D HN 0.491 nan 8.370 nan 0.000 0.456 257 G N 0.906 109.721 108.800 0.024 0.000 2.422 257 G HA2 -0.175 3.782 3.960 -0.004 0.000 0.218 257 G HA3 -0.175 3.782 3.960 -0.004 0.000 0.218 257 G C 1.863 176.703 174.900 -0.099 0.000 1.146 257 G CA 0.166 45.243 45.100 -0.039 0.000 0.769 257 G HN 0.215 nan 8.290 nan 0.000 0.547 258 L N -0.539 120.649 121.223 -0.058 0.000 2.017 258 L HA -0.056 4.282 4.340 -0.004 0.000 0.208 258 L C 2.745 179.515 176.870 -0.167 0.000 1.073 258 L CA 0.642 55.357 54.840 -0.209 0.000 0.745 258 L CB -0.398 41.600 42.059 -0.100 0.000 0.894 258 L HN 0.214 nan 8.230 nan 0.000 0.432 259 L N -0.018 121.324 121.223 0.198 0.000 2.042 259 L HA -0.197 4.141 4.340 -0.004 0.000 0.210 259 L C 2.633 179.625 176.870 0.203 0.000 1.076 259 L CA 2.064 57.180 54.840 0.459 0.000 0.749 259 L CB -0.671 41.687 42.059 0.498 0.000 0.893 259 L HN 0.184 nan 8.230 nan 0.000 0.432 260 A N -2.075 120.742 122.820 -0.005 0.000 1.933 260 A HA -0.196 4.121 4.320 -0.004 0.000 0.218 260 A C 2.279 179.679 177.584 -0.307 0.000 1.175 260 A CA 2.189 54.134 52.037 -0.152 0.000 0.628 260 A CB -1.089 17.834 19.000 -0.129 0.000 0.814 260 A HN 0.487 nan 8.150 nan 0.000 0.444 261 T N -0.591 113.700 114.554 -0.439 0.000 2.708 261 T HA -0.121 4.226 4.350 -0.004 0.000 0.266 261 T C 1.564 175.596 174.700 -1.113 0.000 1.037 261 T CA 1.632 63.229 62.100 -0.839 0.000 1.146 261 T CB -0.476 67.775 68.868 -1.029 0.000 0.865 261 T HN 0.494 nan 8.240 nan 0.000 0.435 262 F N 1.354 120.985 119.950 -0.532 0.000 2.134 262 F HA -0.087 4.443 4.527 0.004 0.000 0.299 262 F C 2.759 178.628 175.800 0.115 0.000 1.097 262 F CA 0.685 58.599 58.000 -0.142 0.000 1.264 262 F CB -0.366 38.869 39.000 0.392 0.000 1.001 262 F HN 0.137 nan 8.300 nan 0.000 0.479 263 A N 0.249 123.055 122.820 -0.023 0.000 1.933 263 A HA -0.093 4.224 4.320 -0.004 0.000 0.218 263 A C 2.408 179.889 177.584 -0.170 0.000 1.175 263 A CA 1.658 53.411 52.037 -0.472 0.000 0.628 263 A CB -1.552 16.736 19.000 -1.187 0.000 0.814 263 A HN 0.402 nan 8.150 nan 0.000 0.444 264 G N -1.878 106.778 108.800 -0.240 0.000 2.559 264 G HA2 -0.088 3.869 3.960 -0.004 0.000 0.216 264 G HA3 -0.088 3.869 3.960 -0.004 0.000 0.216 264 G C 1.228 176.160 174.900 0.052 0.000 1.126 264 G CA 0.535 45.544 45.100 -0.151 0.000 0.778 264 G HN 0.550 nan 8.290 nan 0.000 0.543 265 F N 1.156 121.184 119.950 0.129 0.000 2.604 265 F HA 0.241 4.763 4.527 -0.008 0.000 0.298 265 F C 1.931 177.930 175.800 0.331 0.000 1.131 265 F CA -0.267 57.808 58.000 0.125 0.000 1.457 265 F CB 0.328 39.285 39.000 -0.071 0.000 1.095 265 F HN 0.124 nan 8.300 nan 0.000 0.574 266 A N 0.823 124.014 122.820 0.619 0.000 2.302 266 A HA 0.199 4.517 4.320 -0.004 0.000 0.295 266 A C -0.728 177.038 177.584 0.302 0.000 1.235 266 A CA -0.184 52.177 52.037 0.541 0.000 0.876 266 A CB 0.009 19.244 19.000 0.391 0.000 1.133 266 A HN 0.117 nan 8.150 nan 0.000 0.533 267 D N 4.146 124.712 120.400 0.277 0.000 2.473 267 D HA 0.484 5.122 4.640 -0.004 0.000 0.253 267 D C -2.519 173.884 176.300 0.171 0.000 1.233 267 D CA -1.111 52.995 54.000 0.178 0.000 0.908 267 D CB 1.746 42.630 40.800 0.140 0.000 1.170 267 D HN 0.287 nan 8.370 nan 0.000 0.558 268 P HA 0.329 nan 4.420 nan 0.000 0.274 268 P C -0.671 176.708 177.300 0.133 0.000 1.260 268 P CA -0.613 62.559 63.100 0.120 0.000 0.793 268 P CB 0.408 32.166 31.700 0.097 0.000 1.048 269 A N 0.494 123.361 122.820 0.078 0.000 2.520 269 A HA 0.402 4.720 4.320 -0.004 0.000 0.235 269 A C 0.594 178.192 177.584 0.024 0.000 1.065 269 A CA 0.182 52.243 52.037 0.040 0.000 0.764 269 A CB -0.791 18.211 19.000 0.004 0.000 1.002 269 A HN 0.645 nan 8.150 nan 0.000 0.502 270 A N 1.292 124.078 122.820 -0.057 0.000 2.445 270 A HA 0.483 4.800 4.320 -0.004 0.000 0.242 270 A C 1.508 179.045 177.584 -0.079 0.000 1.075 270 A CA 0.327 52.244 52.037 -0.201 0.000 0.777 270 A CB -0.173 18.595 19.000 -0.388 0.000 1.013 270 A HN 2.041 nan 8.150 nan 0.000 0.493 271 A N 0.838 123.624 122.820 -0.055 0.000 2.015 271 A HA 0.117 4.435 4.320 -0.004 0.000 0.219 271 A C 0.949 178.581 177.584 0.081 0.000 1.163 271 A CA 1.985 54.035 52.037 0.021 0.000 0.646 271 A CB -0.360 18.661 19.000 0.035 0.000 0.806 271 A HN 1.052 nan 8.150 nan 0.000 0.448 272 H N -3.111 115.910 119.070 -0.082 0.000 2.856 272 H HA 0.546 5.100 4.556 -0.003 0.000 0.355 272 H C -1.968 173.347 175.328 -0.021 0.000 1.079 272 H CA -0.957 55.063 56.048 -0.047 0.000 1.240 272 H CB 1.183 30.904 29.762 -0.068 0.000 1.701 272 H HN 0.097 nan 8.280 nan 0.000 0.527 273 F N 4.249 123.920 119.950 -0.465 0.000 2.828 273 F HA 0.297 4.823 4.527 -0.001 0.000 0.355 273 F C -1.393 174.171 175.800 -0.393 0.000 1.200 273 F CA -0.316 57.491 58.000 -0.321 0.000 1.062 273 F CB 1.151 40.045 39.000 -0.178 0.000 1.351 273 F HN 0.605 nan 8.300 nan 0.000 0.504 274 E N 5.400 125.228 120.200 -0.620 0.000 2.216 274 E HA 0.159 4.506 4.350 -0.004 0.000 0.260 274 E C -1.214 175.141 176.600 -0.408 0.000 0.880 274 E CA -0.590 55.554 56.400 -0.427 0.000 0.765 274 E CB 1.325 30.843 29.700 -0.303 0.000 1.174 274 E HN 0.721 nan 8.360 nan 0.000 0.417 275 E N 3.501 123.524 120.200 -0.296 0.000 2.129 275 E HA 0.033 4.380 4.350 -0.004 0.000 0.283 275 E C 0.689 177.176 176.600 -0.188 0.000 1.080 275 E CA 0.102 56.344 56.400 -0.264 0.000 0.867 275 E CB 0.691 30.306 29.700 -0.142 0.000 1.056 275 E HN 0.669 nan 8.360 nan 0.000 0.404 276 T N 2.393 116.836 114.554 -0.184 0.000 3.023 276 T HA 0.043 4.391 4.350 -0.004 0.000 0.266 276 T C 0.178 174.878 174.700 -0.000 0.000 1.093 276 T CA 0.110 62.154 62.100 -0.093 0.000 1.129 276 T CB -0.010 68.800 68.868 -0.095 0.000 0.899 276 T HN 0.347 nan 8.240 nan 0.000 0.491 277 F N 0.451 120.258 119.950 -0.239 0.000 2.672 277 F HA 0.605 5.130 4.527 -0.004 0.000 0.311 277 F C -1.329 174.285 175.800 -0.310 0.000 1.113 277 F CA -1.301 56.544 58.000 -0.259 0.000 0.996 277 F CB 1.591 40.419 39.000 -0.286 0.000 1.286 277 F HN -0.049 nan 8.300 nan 0.000 0.441 278 R N 3.276 123.111 120.500 -1.108 0.000 2.564 278 R HA 0.714 5.052 4.340 -0.004 0.000 0.284 278 R C -1.507 174.149 176.300 -1.073 0.000 1.031 278 R CA -0.769 54.858 56.100 -0.788 0.000 0.904 278 R CB 1.966 32.010 30.300 -0.426 0.000 1.199 278 R HN 0.955 nan 8.270 nan 0.000 0.443 279 G N 4.012 112.358 108.800 -0.757 0.000 2.566 279 G HA2 0.572 4.529 3.960 -0.004 0.000 0.311 279 G HA3 0.572 4.529 3.960 -0.004 0.000 0.311 279 G C -2.875 172.022 174.900 -0.005 0.000 1.322 279 G CA -1.527 43.235 45.100 -0.563 0.000 0.969 279 G HN 0.341 nan 8.290 nan 0.000 0.490 280 P HA 0.225 nan 4.420 nan 0.000 0.274 280 P C 0.517 178.052 177.300 0.392 0.000 1.246 280 P CA -0.425 62.825 63.100 0.249 0.000 0.795 280 P CB 0.988 32.796 31.700 0.179 0.000 1.006 281 S N 0.892 116.705 115.700 0.188 0.000 2.634 281 S HA 0.427 4.894 4.470 -0.004 0.000 0.261 281 S C -0.350 174.184 174.600 -0.110 0.000 1.271 281 S CA -0.485 57.773 58.200 0.095 0.000 0.985 281 S CB 0.057 63.241 63.200 -0.026 0.000 0.968 281 S HN 0.400 nan 8.310 nan 0.000 0.568 282 L N 1.387 122.359 121.223 -0.419 0.000 2.342 282 L HA 0.649 4.987 4.340 -0.004 0.000 0.276 282 L C -2.858 173.824 176.870 -0.314 0.000 0.997 282 L CA -1.865 52.690 54.840 -0.475 0.000 0.838 282 L CB 1.631 43.113 42.059 -0.961 0.000 1.224 282 L HN 0.470 nan 8.230 nan 0.000 0.416 283 P HA 0.521 nan 4.420 nan 0.000 0.302 283 P C -1.345 175.892 177.300 -0.105 0.000 1.307 283 P CA -0.526 62.520 63.100 -0.091 0.000 0.754 283 P CB 1.033 32.730 31.700 -0.006 0.000 1.298 284 S N -2.664 113.013 115.700 -0.038 0.000 2.667 284 S HA 0.879 5.347 4.470 -0.004 0.000 0.292 284 S C -0.053 174.548 174.600 0.001 0.000 1.126 284 S CA -0.096 58.089 58.200 -0.025 0.000 0.881 284 S CB 1.213 64.419 63.200 0.010 0.000 1.132 284 S HN 0.926 nan 8.310 nan 0.000 0.492 285 G N 0.937 109.741 108.800 0.007 0.000 2.447 285 G HA2 0.070 4.028 3.960 -0.004 0.000 0.220 285 G HA3 0.070 4.028 3.960 -0.004 0.000 0.220 285 G C -1.120 173.794 174.900 0.024 0.000 1.261 285 G CA -0.259 44.852 45.100 0.019 0.000 1.000 285 G HN 1.280 nan 8.290 nan 0.000 0.515 286 D N -0.235 120.184 120.400 0.031 0.000 2.368 286 D HA 0.225 4.862 4.640 -0.004 0.000 0.240 286 D C 1.700 178.035 176.300 0.058 0.000 1.169 286 D CA 0.003 54.027 54.000 0.040 0.000 0.906 286 D CB 1.384 42.206 40.800 0.036 0.000 1.187 286 D HN 0.592 nan 8.370 nan 0.000 0.435 287 I N 1.753 122.367 120.570 0.073 0.000 2.248 287 I HA -0.255 3.912 4.170 -0.004 0.000 0.248 287 I C 2.330 178.511 176.117 0.107 0.000 1.107 287 I CA 1.900 63.269 61.300 0.115 0.000 1.373 287 I CB -0.713 37.356 38.000 0.115 0.000 1.055 287 I HN 0.596 nan 8.210 nan 0.000 0.418 288 A N 0.364 123.227 122.820 0.071 0.000 1.902 288 A HA -0.257 4.060 4.320 -0.004 0.000 0.217 288 A C 2.581 180.201 177.584 0.060 0.000 1.181 288 A CA 1.941 54.013 52.037 0.058 0.000 0.623 288 A CB -0.735 18.289 19.000 0.041 0.000 0.818 288 A HN 0.519 nan 8.150 nan 0.000 0.443 289 R N -0.366 120.168 120.500 0.056 0.000 2.066 289 R HA -0.055 4.282 4.340 -0.004 0.000 0.232 289 R C 2.290 178.631 176.300 0.069 0.000 1.131 289 R CA 1.496 57.627 56.100 0.052 0.000 0.955 289 R CB -0.473 29.851 30.300 0.040 0.000 0.851 289 R HN 0.394 nan 8.270 nan 0.000 0.432 290 A N 1.286 124.159 122.820 0.087 0.000 1.883 290 A HA -0.211 4.107 4.320 -0.004 0.000 0.217 290 A C 1.931 179.625 177.584 0.183 0.000 1.186 290 A CA 1.833 53.943 52.037 0.122 0.000 0.624 290 A CB -0.511 18.569 19.000 0.134 0.000 0.822 290 A HN 0.575 nan 8.150 nan 0.000 0.444 291 E N -0.839 119.463 120.200 0.171 0.000 2.106 291 E HA -0.185 4.163 4.350 -0.004 0.000 0.192 291 E C 2.078 178.724 176.600 0.077 0.000 0.984 291 E CA 0.905 57.377 56.400 0.120 0.000 0.806 291 E CB -0.181 29.560 29.700 0.069 0.000 0.750 291 E HN 0.676 nan 8.360 nan 0.000 0.458 292 E N 1.517 121.757 120.200 0.066 0.000 2.077 292 E HA -0.194 4.153 4.350 -0.004 0.000 0.193 292 E C 2.036 178.667 176.600 0.052 0.000 0.989 292 E CA 0.944 57.373 56.400 0.048 0.000 0.800 292 E CB 0.123 29.847 29.700 0.041 0.000 0.746 292 E HN 0.074 nan 8.360 nan 0.000 0.452 293 R N 0.437 120.975 120.500 0.063 0.000 2.092 293 R HA -0.069 4.269 4.340 -0.004 0.000 0.231 293 R C 2.565 178.903 176.300 0.065 0.000 1.119 293 R CA 1.090 57.227 56.100 0.062 0.000 0.970 293 R CB -0.742 29.595 30.300 0.061 0.000 0.864 293 R HN 0.226 nan 8.270 nan 0.000 0.440 294 R N 0.870 121.421 120.500 0.084 0.000 2.081 294 R HA -0.039 4.298 4.340 -0.004 0.000 0.235 294 R C 2.365 178.696 176.300 0.051 0.000 1.131 294 R CA 1.120 57.271 56.100 0.084 0.000 0.960 294 R CB -0.242 30.139 30.300 0.134 0.000 0.856 294 R HN 0.140 nan 8.270 nan 0.000 0.436 295 L N 0.192 121.440 121.223 0.042 0.000 2.083 295 L HA -0.124 4.214 4.340 -0.004 0.000 0.209 295 L C 2.686 179.572 176.870 0.027 0.000 1.083 295 L CA 1.202 56.058 54.840 0.026 0.000 0.752 295 L CB -0.551 41.521 42.059 0.021 0.000 0.899 295 L HN 0.336 nan 8.230 nan 0.000 0.433 296 A N 0.087 122.928 122.820 0.035 0.000 1.902 296 A HA -0.138 4.179 4.320 -0.004 0.000 0.217 296 A C 2.525 180.131 177.584 0.036 0.000 1.181 296 A CA 1.656 53.716 52.037 0.038 0.000 0.623 296 A CB -0.580 18.448 19.000 0.047 0.000 0.818 296 A HN 0.395 nan 8.150 nan 0.000 0.443 297 A N -0.595 122.246 122.820 0.035 0.000 1.930 297 A HA -0.118 4.199 4.320 -0.004 0.000 0.217 297 A C 2.258 179.843 177.584 0.002 0.000 1.175 297 A CA 1.502 53.551 52.037 0.021 0.000 0.627 297 A CB -0.473 18.541 19.000 0.024 0.000 0.815 297 A HN 0.407 nan 8.150 nan 0.000 0.443 298 R N 0.380 120.885 120.500 0.008 0.000 2.081 298 R HA -0.146 4.191 4.340 -0.004 0.000 0.235 298 R C 1.061 177.355 176.300 -0.008 0.000 1.131 298 R CA 1.954 58.053 56.100 -0.002 0.000 0.960 298 R CB -0.677 29.625 30.300 0.003 0.000 0.856 298 R HN 0.476 nan 8.270 nan 0.000 0.436 299 D N 0.064 120.465 120.400 0.003 0.000 2.178 299 D HA -0.102 4.535 4.640 -0.004 0.000 0.202 299 D C 1.959 178.259 176.300 0.001 0.000 0.974 299 D CA 0.897 54.900 54.000 0.006 0.000 0.841 299 D CB 0.022 40.833 40.800 0.018 0.000 0.953 299 D HN 0.086 nan 8.370 nan 0.000 0.478 300 V N 1.457 121.370 119.914 -0.001 0.000 2.379 300 V HA -0.181 3.937 4.120 -0.004 0.000 0.245 300 V C 2.571 178.605 176.094 -0.099 0.000 1.044 300 V CA 1.613 63.902 62.300 -0.019 0.000 1.036 300 V CB -0.689 31.132 31.823 -0.003 0.000 0.664 300 V HN 0.159 nan 8.190 nan 0.000 0.453 301 A N -0.047 122.713 122.820 -0.099 0.000 1.908 301 A HA -0.268 4.050 4.320 -0.004 0.000 0.218 301 A C 2.001 179.520 177.584 -0.108 0.000 1.181 301 A CA 2.102 54.057 52.037 -0.137 0.000 0.627 301 A CB -0.634 18.305 19.000 -0.101 0.000 0.818 301 A HN 0.541 nan 8.150 nan 0.000 0.445 302 D N 0.059 120.421 120.400 -0.062 0.000 2.117 302 D HA -0.070 4.568 4.640 -0.004 0.000 0.197 302 D C 2.211 178.486 176.300 -0.042 0.000 0.987 302 D CA 1.576 55.550 54.000 -0.042 0.000 0.829 302 D CB -0.465 40.323 40.800 -0.021 0.000 0.961 302 D HN 0.432 nan 8.370 nan 0.000 0.460 303 A N 0.401 123.199 122.820 -0.037 0.000 2.019 303 A HA -0.071 4.247 4.320 -0.004 0.000 0.219 303 A C 2.159 179.712 177.584 -0.052 0.000 1.164 303 A CA 0.768 52.793 52.037 -0.020 0.000 0.644 303 A CB -0.476 18.537 19.000 0.021 0.000 0.805 303 A HN 0.233 nan 8.150 nan 0.000 0.449 304 L N -0.802 120.349 121.223 -0.121 0.000 2.607 304 L HA 0.080 4.418 4.340 -0.004 0.000 0.228 304 L C -0.298 176.496 176.870 -0.128 0.000 1.123 304 L CA 0.018 54.758 54.840 -0.167 0.000 0.890 304 L CB -0.239 41.632 42.059 -0.313 0.000 1.103 304 L HN 0.317 nan 8.230 nan 0.000 0.468 305 D N 0.960 121.306 120.400 -0.090 0.000 2.772 305 D HA -0.170 4.467 4.640 -0.004 0.000 0.233 305 D C -0.117 176.136 176.300 -0.077 0.000 1.143 305 D CA 0.777 54.739 54.000 -0.063 0.000 0.700 305 D CB -1.172 39.606 40.800 -0.037 0.000 1.076 305 D HN 0.295 nan 8.370 nan 0.000 0.430 306 L N 1.077 122.225 121.223 -0.125 0.000 2.289 306 L HA 0.381 4.719 4.340 -0.004 0.000 0.285 306 L C -1.595 175.239 176.870 -0.060 0.000 1.049 306 L CA -1.647 53.107 54.840 -0.145 0.000 0.804 306 L CB 1.060 42.910 42.059 -0.349 0.000 1.195 306 L HN -0.245 nan 8.230 nan 0.000 0.428 307 P HA 0.149 nan 4.420 nan 0.000 0.271 307 P C -0.489 176.834 177.300 0.038 0.000 1.220 307 P CA -0.036 63.082 63.100 0.029 0.000 0.768 307 P CB 0.916 32.650 31.700 0.057 0.000 0.848 308 I N 2.333 122.918 120.570 0.025 0.000 2.416 308 I HA 0.275 4.442 4.170 -0.004 0.000 0.288 308 I C 1.388 177.534 176.117 0.048 0.000 1.051 308 I CA 0.050 61.368 61.300 0.031 0.000 1.375 308 I CB 0.819 38.827 38.000 0.014 0.000 1.407 308 I HN 0.388 nan 8.210 nan 0.000 0.516 309 G N 5.011 113.850 108.800 0.065 0.000 2.491 309 G HA2 0.301 4.258 3.960 -0.004 0.000 0.327 309 G HA3 0.301 4.258 3.960 -0.004 0.000 0.327 309 G C -0.319 174.613 174.900 0.053 0.000 1.189 309 G CA -0.727 44.413 45.100 0.067 0.000 0.956 309 G HN 0.561 nan 8.290 nan 0.000 0.491 310 N N 0.004 118.734 118.700 0.050 0.000 2.453 310 N HA 0.320 5.058 4.740 -0.004 0.000 0.253 310 N C 0.697 176.232 175.510 0.042 0.000 1.252 310 N CA 0.061 53.137 53.050 0.044 0.000 0.917 310 N CB 1.166 39.679 38.487 0.044 0.000 1.117 310 N HN 0.684 nan 8.380 nan 0.000 0.442 311 A N 0.806 123.659 122.820 0.055 0.000 2.520 311 A HA 0.300 4.618 4.320 -0.004 0.000 0.235 311 A C 0.585 178.176 177.584 0.012 0.000 1.065 311 A CA -0.369 51.706 52.037 0.063 0.000 0.764 311 A CB 0.007 19.097 19.000 0.149 0.000 1.002 311 A HN 0.502 nan 8.150 nan 0.000 0.502 312 V N -0.772 119.093 119.914 -0.082 0.000 2.994 312 V HA 0.518 4.635 4.120 -0.004 0.000 0.318 312 V C 0.233 176.239 176.094 -0.146 0.000 1.085 312 V CA -0.522 61.652 62.300 -0.210 0.000 0.998 312 V CB 1.818 33.221 31.823 -0.700 0.000 1.063 312 V HN 0.812 nan 8.190 nan 0.000 0.447 313 D N 0.684 121.042 120.400 -0.069 0.000 2.305 313 D HA 0.104 4.742 4.640 -0.004 0.000 0.206 313 D C 0.741 177.099 176.300 0.096 0.000 0.974 313 D CA 0.934 54.970 54.000 0.060 0.000 0.871 313 D CB 0.135 41.010 40.800 0.125 0.000 0.947 313 D HN 0.681 nan 8.370 nan 0.000 0.516 314 F N -0.425 119.558 119.950 0.056 0.000 2.403 314 F HA 0.424 4.948 4.527 -0.004 0.000 0.320 314 F C 0.114 175.879 175.800 -0.059 0.000 1.176 314 F CA -1.662 56.352 58.000 0.024 0.000 1.206 314 F CB 0.207 39.191 39.000 -0.026 0.000 1.235 314 F HN -0.208 nan 8.300 nan 0.000 0.565 315 W N 2.043 123.391 121.300 0.079 0.000 2.512 315 W HA 0.598 5.255 4.660 -0.005 0.000 0.335 315 W C -0.773 175.665 176.519 -0.135 0.000 1.088 315 W CA -0.027 57.208 57.345 -0.182 0.000 1.236 315 W CB 1.640 31.119 29.460 0.032 0.000 1.307 315 W HN 0.950 nan 8.180 nan 0.000 0.567 316 T N 0.470 114.221 114.554 -1.339 0.000 2.843 316 T HA 0.300 4.648 4.350 -0.004 0.000 0.302 316 T C -0.017 173.898 174.700 -1.308 0.000 1.232 316 T CA -0.719 60.847 62.100 -0.891 0.000 1.009 316 T CB 1.824 70.497 68.868 -0.324 0.000 1.254 316 T HN 0.561 nan 8.240 nan 0.000 0.504 317 E N 0.223 120.019 120.200 -0.674 0.000 2.511 317 E HA 0.126 4.474 4.350 -0.004 0.000 0.196 317 E C 2.024 178.631 176.600 0.011 0.000 1.066 317 E CA 0.410 56.600 56.400 -0.350 0.000 0.871 317 E CB -0.163 29.519 29.700 -0.030 0.000 0.863 317 E HN 0.722 nan 8.360 nan 0.000 0.520 318 A N 1.406 124.247 122.820 0.036 0.000 2.019 318 A HA -0.211 4.106 4.320 -0.004 0.000 0.219 318 A C 2.342 180.008 177.584 0.137 0.000 1.164 318 A CA 1.674 53.812 52.037 0.169 0.000 0.644 318 A CB -0.480 18.582 19.000 0.103 0.000 0.805 318 A HN 0.349 nan 8.150 nan 0.000 0.449 319 S N 0.240 115.956 115.700 0.026 0.000 2.399 319 S HA -0.126 4.341 4.470 -0.004 0.000 0.231 319 S C 1.827 176.503 174.600 0.126 0.000 1.022 319 S CA 1.475 59.701 58.200 0.044 0.000 0.983 319 S CB -0.730 62.567 63.200 0.162 0.000 0.803 319 S HN 0.494 nan 8.310 nan 0.000 0.480 320 L N -0.708 120.585 121.223 0.118 0.000 2.056 320 L HA 0.048 4.386 4.340 -0.004 0.000 0.207 320 L C 2.524 179.407 176.870 0.022 0.000 1.078 320 L CA 1.372 56.242 54.840 0.050 0.000 0.749 320 L CB -0.722 41.306 42.059 -0.052 0.000 0.901 320 L HN 0.233 nan 8.230 nan 0.000 0.433 321 F N -0.268 119.738 119.950 0.094 0.000 2.134 321 F HA -0.222 4.303 4.527 -0.004 0.000 0.299 321 F C 3.012 178.951 175.800 0.232 0.000 1.097 321 F CA 1.653 59.742 58.000 0.147 0.000 1.264 321 F CB -0.521 38.469 39.000 -0.017 0.000 1.001 321 F HN 0.004 nan 8.300 nan 0.000 0.479 322 S N -0.062 115.826 115.700 0.313 0.000 2.368 322 S HA -0.168 4.299 4.470 -0.004 0.000 0.225 322 S C 2.256 176.951 174.600 0.158 0.000 1.030 322 S CA 1.122 59.447 58.200 0.209 0.000 0.999 322 S CB -0.518 62.747 63.200 0.108 0.000 0.844 322 S HN 0.291 nan 8.310 nan 0.000 0.459 323 A N 0.322 123.219 122.820 0.129 0.000 2.067 323 A HA 0.189 4.507 4.320 -0.004 0.000 0.219 323 A C 2.088 179.726 177.584 0.091 0.000 1.158 323 A CA 1.439 53.530 52.037 0.089 0.000 0.661 323 A CB -1.090 17.955 19.000 0.075 0.000 0.801 323 A HN 0.615 nan 8.150 nan 0.000 0.452 324 G N -2.054 106.833 108.800 0.145 0.000 2.920 324 G HA2 0.357 4.314 3.960 -0.004 0.000 0.208 324 G HA3 0.357 4.314 3.960 -0.004 0.000 0.208 324 G C 1.074 176.021 174.900 0.078 0.000 1.159 324 G CA 0.538 45.723 45.100 0.140 0.000 0.784 324 G HN 1.596 nan 8.290 nan 0.000 0.535 325 G N -1.694 107.158 108.800 0.087 0.000 2.179 325 G HA2 -0.238 3.719 3.960 -0.004 0.000 0.220 325 G HA3 -0.238 3.719 3.960 -0.004 0.000 0.220 325 G C 0.032 174.918 174.900 -0.024 0.000 0.990 325 G CA -0.154 44.937 45.100 -0.015 0.000 0.646 325 G HN 0.378 nan 8.290 nan 0.000 0.517 326 Y N 1.219 121.606 120.300 0.144 0.000 2.352 326 Y HA 0.600 5.147 4.550 -0.005 0.000 0.326 326 Y C 1.230 177.199 175.900 0.115 0.000 1.166 326 Y CA -0.165 58.029 58.100 0.156 0.000 1.182 326 Y CB 1.367 39.967 38.460 0.233 0.000 1.216 326 Y HN 0.009 nan 8.280 nan 0.000 0.474 327 T N 2.873 117.583 114.554 0.261 0.000 2.851 327 T HA 0.578 4.926 4.350 -0.004 0.000 0.298 327 T C -0.287 174.498 174.700 0.141 0.000 0.977 327 T CA -0.244 61.951 62.100 0.158 0.000 1.126 327 T CB 0.105 69.048 68.868 0.125 0.000 0.916 327 T HN 0.719 nan 8.240 nan 0.000 0.529 328 A N 3.112 125.985 122.820 0.089 0.000 2.539 328 A HA 0.864 5.182 4.320 -0.004 0.000 0.296 328 A C -1.373 176.214 177.584 0.005 0.000 1.073 328 A CA -0.923 51.132 52.037 0.029 0.000 0.700 328 A CB 1.183 20.227 19.000 0.073 0.000 1.296 328 A HN 0.765 nan 8.150 nan 0.000 0.405 329 L N -1.223 119.985 121.223 -0.025 0.000 2.479 329 L HA 0.912 5.250 4.340 -0.004 0.000 0.255 329 L C -1.048 175.845 176.870 0.038 0.000 1.026 329 L CA -0.955 53.887 54.840 0.004 0.000 0.842 329 L CB 1.213 43.262 42.059 -0.018 0.000 1.444 329 L HN 0.389 nan 8.230 nan 0.000 0.409 330 V N 1.314 121.286 119.914 0.097 0.000 2.435 330 V HA 0.625 4.742 4.120 -0.004 0.000 0.290 330 V C -1.325 174.918 176.094 0.249 0.000 1.030 330 V CA -0.302 62.087 62.300 0.147 0.000 0.881 330 V CB 1.187 33.101 31.823 0.151 0.000 0.983 330 V HN 0.798 nan 8.190 nan 0.000 0.445 331 Y N 2.919 123.270 120.300 0.085 0.000 2.348 331 Y HA 0.721 5.268 4.550 -0.005 0.000 0.321 331 Y C -0.131 175.855 175.900 0.143 0.000 1.163 331 Y CA -0.277 57.904 58.100 0.136 0.000 1.070 331 Y CB 1.840 40.397 38.460 0.161 0.000 1.250 331 Y HN 0.867 nan 8.280 nan 0.000 0.425 332 G N 5.702 114.265 108.800 -0.394 0.000 2.601 332 G HA2 0.508 4.466 3.960 -0.004 0.000 0.291 332 G HA3 0.508 4.466 3.960 -0.004 0.000 0.291 332 G C -3.591 170.951 174.900 -0.596 0.000 1.456 332 G CA -1.389 43.309 45.100 -0.669 0.000 0.804 332 G HN 0.293 nan 8.290 nan 0.000 0.499 333 P HA 0.556 nan 4.420 nan 0.000 0.276 333 P C 0.613 177.762 177.300 -0.251 0.000 1.244 333 P CA 0.985 63.864 63.100 -0.369 0.000 0.801 333 P CB 1.653 33.145 31.700 -0.347 0.000 1.006 334 G N 0.787 109.496 108.800 -0.151 0.000 2.756 334 G HA2 -0.108 3.850 3.960 -0.004 0.000 0.678 334 G HA3 -0.108 3.850 3.960 -0.004 0.000 0.678 334 G C -1.554 173.263 174.900 -0.138 0.000 1.349 334 G CA -0.549 44.466 45.100 -0.143 0.000 0.847 334 G HN 0.708 nan 8.290 nan 0.000 0.548 335 D N -0.692 119.607 120.400 -0.169 0.000 2.362 335 D HA 0.464 5.101 4.640 -0.004 0.000 0.247 335 D C 1.472 177.636 176.300 -0.226 0.000 1.050 335 D CA -0.689 53.222 54.000 -0.148 0.000 0.839 335 D CB 1.840 42.575 40.800 -0.109 0.000 1.283 335 D HN 0.349 nan 8.370 nan 0.000 0.477 336 I N 3.843 124.280 120.570 -0.222 0.000 2.530 336 I HA -0.213 3.954 4.170 -0.004 0.000 0.257 336 I C 2.061 178.006 176.117 -0.287 0.000 1.179 336 I CA 1.445 62.529 61.300 -0.359 0.000 1.440 336 I CB -0.088 37.657 38.000 -0.424 0.000 1.087 336 I HN 0.537 nan 8.210 nan 0.000 0.440 337 A N -0.724 121.977 122.820 -0.198 0.000 2.024 337 A HA -0.239 4.078 4.320 -0.004 0.000 0.220 337 A C 2.131 179.572 177.584 -0.237 0.000 1.164 337 A CA 1.729 53.664 52.037 -0.170 0.000 0.643 337 A CB -0.469 18.464 19.000 -0.113 0.000 0.806 337 A HN 0.525 nan 8.150 nan 0.000 0.451 338 Q N -0.600 118.996 119.800 -0.340 0.000 2.402 338 Q HA 0.413 4.751 4.340 -0.004 0.000 0.206 338 Q C 0.884 176.700 176.000 -0.307 0.000 0.919 338 Q CA 0.593 56.141 55.803 -0.426 0.000 0.923 338 Q CB -0.218 28.072 28.738 -0.748 0.000 1.048 338 Q HN 0.585 nan 8.270 nan 0.000 0.515 339 A N 0.771 123.397 122.820 -0.323 0.000 2.520 339 A HA 0.128 4.445 4.320 -0.004 0.000 0.245 339 A C -0.525 176.915 177.584 -0.239 0.000 1.072 339 A CA 0.017 51.849 52.037 -0.342 0.000 0.761 339 A CB -0.258 18.375 19.000 -0.612 0.000 1.004 339 A HN 0.558 nan 8.150 nan 0.000 0.499 340 H N -0.435 118.602 119.070 -0.055 0.000 3.080 340 H HA -0.158 4.396 4.556 -0.005 0.000 0.254 340 H C 0.615 175.941 175.328 -0.004 0.000 1.179 340 H CA 1.213 57.257 56.048 -0.006 0.000 1.144 340 H CB -2.739 27.007 29.762 -0.027 0.000 1.261 340 H HN 1.091 nan 8.280 nan 0.000 0.333 341 T N -2.817 111.763 114.554 0.043 0.000 2.943 341 T HA 0.825 5.173 4.350 -0.004 0.000 0.284 341 T C 0.744 175.298 174.700 -0.242 0.000 1.015 341 T CA -0.441 61.615 62.100 -0.074 0.000 1.042 341 T CB 2.693 71.471 68.868 -0.150 0.000 1.055 341 T HN 0.587 nan 8.240 nan 0.000 0.500 342 A N 1.525 124.113 122.820 -0.386 0.000 2.462 342 A HA 0.427 4.745 4.320 -0.004 0.000 0.243 342 A C 0.591 177.485 177.584 -1.150 0.000 1.076 342 A CA -0.215 51.229 52.037 -0.987 0.000 0.773 342 A CB -0.830 17.880 19.000 -0.484 0.000 1.010 342 A HN 0.981 nan 8.150 nan 0.000 0.493 343 D N 0.064 119.181 120.400 -2.140 0.000 2.723 343 D HA -0.152 4.485 4.640 -0.004 0.000 0.236 343 D C 0.301 176.285 176.300 -0.527 0.000 1.138 343 D CA 1.558 54.886 54.000 -1.120 0.000 0.676 343 D CB -1.100 39.438 40.800 -0.436 0.000 1.069 343 D HN 0.924 nan 8.370 nan 0.000 0.430 344 E N 0.324 120.176 120.200 -0.579 0.000 2.502 344 E HA 0.140 4.487 4.350 -0.004 0.000 0.261 344 E C 0.010 176.623 176.600 0.021 0.000 0.974 344 E CA 0.158 56.459 56.400 -0.164 0.000 0.936 344 E CB 0.339 30.076 29.700 0.063 0.000 0.926 344 E HN 0.270 nan 8.360 nan 0.000 0.459 345 F N 2.048 121.960 119.950 -0.063 0.000 2.664 345 F HA 0.709 5.233 4.527 -0.004 0.000 0.317 345 F C -1.708 174.066 175.800 -0.044 0.000 1.108 345 F CA -1.200 56.776 58.000 -0.039 0.000 0.957 345 F CB 1.263 40.231 39.000 -0.054 0.000 1.365 345 F HN 0.177 nan 8.300 nan 0.000 0.475 346 V N 1.382 121.458 119.914 0.270 0.000 2.851 346 V HA 0.621 4.739 4.120 -0.004 0.000 0.307 346 V C -0.603 175.622 176.094 0.218 0.000 1.129 346 V CA -0.019 62.371 62.300 0.150 0.000 0.932 346 V CB 2.144 33.968 31.823 0.002 0.000 1.024 346 V HN 1.315 nan 8.190 nan 0.000 0.426 347 T N 4.230 118.899 114.554 0.192 0.000 2.899 347 T HA 0.357 4.704 4.350 -0.004 0.000 0.295 347 T C 1.315 176.057 174.700 0.070 0.000 1.033 347 T CA -0.354 61.817 62.100 0.119 0.000 1.084 347 T CB 1.044 69.971 68.868 0.099 0.000 0.979 347 T HN 0.599 nan 8.240 nan 0.000 0.532 348 L N 1.575 122.831 121.223 0.054 0.000 2.131 348 L HA -0.055 4.283 4.340 -0.004 0.000 0.210 348 L C 3.118 180.020 176.870 0.053 0.000 1.092 348 L CA 1.433 56.304 54.840 0.052 0.000 0.759 348 L CB -1.038 41.050 42.059 0.050 0.000 0.903 348 L HN 0.959 nan 8.230 nan 0.000 0.435 349 A N -0.660 122.187 122.820 0.045 0.000 1.902 349 A HA -0.227 4.090 4.320 -0.004 0.000 0.217 349 A C 2.291 179.898 177.584 0.039 0.000 1.181 349 A CA 1.359 53.416 52.037 0.033 0.000 0.623 349 A CB -0.361 18.654 19.000 0.024 0.000 0.818 349 A HN 0.356 nan 8.150 nan 0.000 0.443 350 Q N -0.984 118.841 119.800 0.041 0.000 2.046 350 Q HA -0.104 4.233 4.340 -0.004 0.000 0.200 350 Q C 2.116 178.145 176.000 0.049 0.000 0.975 350 Q CA 1.049 56.872 55.803 0.033 0.000 0.836 350 Q CB -0.497 28.246 28.738 0.009 0.000 0.896 350 Q HN 0.512 nan 8.270 nan 0.000 0.428 351 L N 1.234 122.485 121.223 0.047 0.000 2.012 351 L HA -0.203 4.134 4.340 -0.004 0.000 0.210 351 L C 2.497 179.430 176.870 0.105 0.000 1.073 351 L CA 1.778 56.660 54.840 0.070 0.000 0.748 351 L CB -0.994 41.097 42.059 0.054 0.000 0.891 351 L HN 0.322 nan 8.230 nan 0.000 0.431 352 Q N -0.704 119.144 119.800 0.081 0.000 2.061 352 Q HA -0.267 4.070 4.340 -0.004 0.000 0.204 352 Q C 2.456 178.500 176.000 0.073 0.000 0.984 352 Q CA 1.858 57.708 55.803 0.077 0.000 0.846 352 Q CB -0.075 28.702 28.738 0.064 0.000 0.902 352 Q HN 0.384 nan 8.270 nan 0.000 0.421 353 R N -0.835 119.709 120.500 0.073 0.000 2.073 353 R HA -0.214 4.123 4.340 -0.004 0.000 0.234 353 R C 2.242 178.609 176.300 0.113 0.000 1.134 353 R CA 1.710 57.858 56.100 0.080 0.000 0.952 353 R CB -0.462 29.885 30.300 0.078 0.000 0.850 353 R HN 0.381 nan 8.270 nan 0.000 0.433 354 Y N 0.306 120.601 120.300 -0.008 0.000 2.163 354 Y HA -0.186 4.362 4.550 -0.004 0.000 0.288 354 Y C 2.091 177.999 175.900 0.013 0.000 1.136 354 Y CA 1.693 59.772 58.100 -0.035 0.000 1.147 354 Y CB -0.495 37.876 38.460 -0.148 0.000 0.987 354 Y HN -0.061 nan 8.280 nan 0.000 0.509 355 V N 0.682 120.622 119.914 0.043 0.000 2.407 355 V HA -0.273 3.844 4.120 -0.004 0.000 0.248 355 V C 1.933 177.989 176.094 -0.062 0.000 1.055 355 V CA 2.560 64.836 62.300 -0.040 0.000 1.049 355 V CB -0.396 31.463 31.823 0.061 0.000 0.662 355 V HN 0.581 nan 8.190 nan 0.000 0.455 356 E N -0.434 119.761 120.200 -0.010 0.000 2.110 356 E HA -0.193 4.154 4.350 -0.004 0.000 0.193 356 E C 2.356 178.947 176.600 -0.016 0.000 0.988 356 E CA 1.425 57.826 56.400 0.003 0.000 0.804 356 E CB -0.261 29.454 29.700 0.026 0.000 0.745 356 E HN 0.621 nan 8.360 nan 0.000 0.458 357 S N 0.611 116.294 115.700 -0.028 0.000 2.355 357 S HA -0.132 4.335 4.470 -0.004 0.000 0.222 357 S C 2.288 176.858 174.600 -0.050 0.000 1.031 357 S CA 1.367 59.562 58.200 -0.008 0.000 0.993 357 S CB -0.178 63.081 63.200 0.098 0.000 0.859 357 S HN 0.266 nan 8.310 nan 0.000 0.453 358 V N 0.752 120.556 119.914 -0.184 0.000 2.667 358 V HA 0.014 4.132 4.120 -0.004 0.000 0.252 358 V C 2.084 178.124 176.094 -0.089 0.000 1.065 358 V CA 2.203 64.392 62.300 -0.184 0.000 1.083 358 V CB -1.426 30.093 31.823 -0.506 0.000 0.692 358 V HN 0.516 nan 8.190 nan 0.000 0.468 359 N N 1.133 119.791 118.700 -0.070 0.000 2.244 359 N HA -0.183 4.555 4.740 -0.004 0.000 0.183 359 N C 2.080 177.602 175.510 0.021 0.000 1.016 359 N CA 1.807 54.853 53.050 -0.007 0.000 0.866 359 N CB -0.424 38.066 38.487 0.005 0.000 0.980 359 N HN 0.587 nan 8.380 nan 0.000 0.430 360 R N 0.201 120.709 120.500 0.014 0.000 2.066 360 R HA 0.006 4.343 4.340 -0.004 0.000 0.232 360 R C 2.040 178.367 176.300 0.045 0.000 1.131 360 R CA 1.269 57.385 56.100 0.026 0.000 0.955 360 R CB -0.311 29.999 30.300 0.016 0.000 0.851 360 R HN 0.282 nan 8.270 nan 0.000 0.432 361 I N 0.537 121.140 120.570 0.056 0.000 2.208 361 I HA -0.310 3.858 4.170 -0.004 0.000 0.245 361 I C 2.208 178.414 176.117 0.149 0.000 1.097 361 I CA 1.423 62.783 61.300 0.100 0.000 1.363 361 I CB -0.157 37.938 38.000 0.158 0.000 1.051 361 I HN 0.254 nan 8.210 nan 0.000 0.413 362 I N 0.317 120.973 120.570 0.143 0.000 2.296 362 I HA -0.181 3.986 4.170 -0.004 0.000 0.242 362 I C 1.663 177.835 176.117 0.092 0.000 1.087 362 I CA 1.208 62.594 61.300 0.144 0.000 1.393 362 I CB -0.226 37.859 38.000 0.143 0.000 1.093 362 I HN 0.249 nan 8.210 nan 0.000 0.421 363 N N 0.510 119.253 118.700 0.070 0.000 2.220 363 N HA 0.115 4.852 4.740 -0.004 0.000 0.195 363 N C 0.722 176.258 175.510 0.043 0.000 1.123 363 N CA 0.161 53.243 53.050 0.052 0.000 0.874 363 N CB 0.503 39.020 38.487 0.050 0.000 0.995 363 N HN 0.185 nan 8.380 nan 0.000 0.498 364 G N 0.952 109.779 108.800 0.045 0.000 2.544 364 G HA2 0.251 4.209 3.960 -0.004 0.000 0.242 364 G HA3 0.251 4.209 3.960 -0.004 0.000 0.242 364 G C 0.572 175.493 174.900 0.035 0.000 1.247 364 G CA -0.208 44.914 45.100 0.037 0.000 0.840 364 G HN 0.191 nan 8.290 nan 0.000 0.578 365 S N 0.000 115.717 115.700 0.028 0.000 2.498 365 S HA 0.000 4.467 4.470 -0.004 0.000 0.327 365 S CA 0.000 58.215 58.200 0.025 0.000 1.107 365 S CB 0.000 63.212 63.200 0.021 0.000 0.593 365 S HN 0.000 nan 8.310 nan 0.000 0.517