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 2bpm_1_A DATA FIRST_RESID -3 DATA SEQUENCE PLVDMENFQK VEKIGEGTYG VVYKARNKLT GEVVALKKIR LDTETEGVPS DATA SEQUENCE TAIREISLLK ELNHPNIVKL LDVIHTENKL YLVFEFLHQD LKKFMDASAL DATA SEQUENCE TGIPLPLIKS YLFQLLQGLA FCHSHRVLHR DLKPQNLLIN TEGAIKLADF DATA SEQUENCE GLARAFGVPV RTYTHEVVTL WYRAPEILLG CKYYSTAVDI WSLGCIFAEM DATA SEQUENCE VTRRALFPGD SEIDQLFRIF RTLGTPDEVV WPGVTSMPDY KPSFPKWARQ DATA SEQUENCE DFSKVVPPLD EDGRSLLSQM LHYDPNKRIS AKAALAHPFF QDVTKPVPHL DATA SEQUENCE RL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -3 P HA 0.000 nan 4.420 nan 0.000 0.216 -3 P C 0.000 177.323 177.300 0.039 0.000 1.155 -3 P CA 0.000 63.129 63.100 0.048 0.000 0.800 -3 P CB 0.000 31.738 31.700 0.063 0.000 0.726 -2 L N 0.727 121.968 121.223 0.030 0.000 2.217 -2 L HA -0.020 4.320 4.340 -0.000 0.000 0.211 -2 L C 2.405 179.268 176.870 -0.012 0.000 1.107 -2 L CA 0.814 55.665 54.840 0.018 0.000 0.783 -2 L CB -0.269 41.802 42.059 0.021 0.000 0.919 -2 L HN -0.089 nan 8.230 nan 0.000 0.442 -1 V N -0.416 119.485 119.914 -0.020 0.000 2.379 -1 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 -1 V C 2.077 178.126 176.094 -0.075 0.000 1.044 -1 V CA 1.650 63.923 62.300 -0.044 0.000 1.036 -1 V CB -0.428 31.370 31.823 -0.041 0.000 0.664 -1 V HN 0.423 nan 8.190 nan 0.000 0.453 0 D N -0.160 120.202 120.400 -0.063 0.000 2.117 0 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 0 D C 2.164 178.402 176.300 -0.104 0.000 0.987 0 D CA 1.213 55.155 54.000 -0.096 0.000 0.829 0 D CB -0.184 40.605 40.800 -0.018 0.000 0.961 0 D HN 0.251 nan 8.370 nan 0.000 0.460 1 M N 0.711 120.284 119.600 -0.044 0.000 2.279 1 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 1 M C 1.819 178.090 176.300 -0.049 0.000 1.062 1 M CA 0.934 56.206 55.300 -0.048 0.000 1.099 1 M CB -0.609 31.894 32.600 -0.162 0.000 1.394 1 M HN -0.036 nan 8.290 nan 0.000 0.426 2 E N 0.253 120.406 120.200 -0.079 0.000 2.208 2 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 2 E C 1.408 177.935 176.600 -0.122 0.000 0.988 2 E CA 0.616 56.969 56.400 -0.079 0.000 0.828 2 E CB -0.316 29.343 29.700 -0.068 0.000 0.763 2 E HN 0.505 nan 8.360 nan 0.000 0.478 3 N N 0.046 118.609 118.700 -0.227 0.000 2.550 3 N HA -0.060 4.680 4.740 -0.000 0.000 0.186 3 N C -0.233 175.016 175.510 -0.435 0.000 1.110 3 N CA 0.375 53.217 53.050 -0.346 0.000 0.912 3 N CB -0.049 38.159 38.487 -0.465 0.000 0.968 3 N HN 0.012 nan 8.380 nan 0.000 0.448 4 F N 0.690 120.582 119.950 -0.096 0.000 2.420 4 F HA 0.317 4.844 4.527 -0.000 0.000 0.342 4 F C 0.608 176.350 175.800 -0.096 0.000 1.113 4 F CA -1.143 56.798 58.000 -0.098 0.000 1.059 4 F CB 1.330 40.254 39.000 -0.126 0.000 1.128 4 F HN -0.240 nan 8.300 nan 0.000 0.475 5 Q N 3.880 123.764 119.800 0.140 0.000 2.347 5 Q HA 0.297 4.637 4.340 -0.000 0.000 0.262 5 Q C -0.938 175.079 176.000 0.028 0.000 0.980 5 Q CA -0.518 55.312 55.803 0.044 0.000 0.867 5 Q CB 0.913 29.663 28.738 0.019 0.000 1.242 5 Q HN 0.471 nan 8.270 nan 0.000 0.453 6 K N 2.872 123.258 120.400 -0.025 0.000 2.368 6 K HA 0.116 4.436 4.320 -0.000 0.000 0.282 6 K C 0.167 176.759 176.600 -0.013 0.000 1.035 6 K CA -0.220 56.034 56.287 -0.056 0.000 0.973 6 K CB 1.095 33.489 32.500 -0.177 0.000 0.957 6 K HN 0.499 nan 8.250 nan 0.000 0.474 7 V N 2.418 122.340 119.914 0.013 0.000 2.391 7 V HA -0.064 4.056 4.120 -0.000 0.000 0.237 7 V C 0.323 176.448 176.094 0.051 0.000 1.046 7 V CA 1.049 63.354 62.300 0.009 0.000 1.053 7 V CB -0.189 31.612 31.823 -0.037 0.000 0.704 7 V HN 0.970 nan 8.190 nan 0.000 0.475 8 E N -0.775 119.490 120.200 0.109 0.000 2.396 8 E HA 0.311 4.661 4.350 -0.000 0.000 0.280 8 E C -1.146 175.591 176.600 0.228 0.000 1.065 8 E CA -0.885 55.608 56.400 0.155 0.000 0.831 8 E CB 1.551 31.302 29.700 0.085 0.000 1.272 8 E HN 0.087 nan 8.360 nan 0.000 0.443 9 K N 1.877 122.392 120.400 0.191 0.000 2.368 9 K HA 0.202 4.522 4.320 -0.000 0.000 0.282 9 K C 0.707 177.290 176.600 -0.029 0.000 1.035 9 K CA 0.030 56.292 56.287 -0.040 0.000 0.973 9 K CB 0.374 32.815 32.500 -0.099 0.000 0.957 9 K HN 0.642 nan 8.250 nan 0.000 0.474 10 I N 0.146 120.679 120.570 -0.061 0.000 4.154 10 I HA 0.424 4.594 4.170 -0.000 0.000 0.334 10 I C 0.422 176.521 176.117 -0.030 0.000 1.371 10 I CA -0.536 60.767 61.300 0.006 0.000 1.110 10 I CB 1.006 39.063 38.000 0.095 0.000 1.085 10 I HN 0.572 nan 8.210 nan 0.000 0.398 11 G N 0.692 109.439 108.800 -0.087 0.000 2.489 11 G HA2 0.450 4.410 3.960 -0.000 0.000 0.291 11 G HA3 0.450 4.410 3.960 -0.000 0.000 0.291 11 G C -1.935 172.915 174.900 -0.084 0.000 1.487 11 G CA -0.331 44.731 45.100 -0.064 0.000 0.795 11 G HN 0.089 nan 8.290 nan 0.000 0.513 12 E N -1.154 119.010 120.200 -0.060 0.000 2.586 12 E HA 0.871 5.221 4.350 -0.000 0.000 0.232 12 E C 0.456 176.988 176.600 -0.114 0.000 0.854 12 E CA 0.430 56.782 56.400 -0.080 0.000 0.938 12 E CB 1.832 31.480 29.700 -0.088 0.000 1.518 12 E HN 1.773 nan 8.360 nan 0.000 0.400 13 G N -1.540 107.120 108.800 -0.234 0.000 2.361 13 G HA2 0.054 4.014 3.960 -0.000 0.000 0.305 13 G HA3 0.054 4.014 3.960 -0.000 0.000 0.305 13 G C 0.173 174.753 174.900 -0.533 0.000 1.367 13 G CA 0.028 44.803 45.100 -0.540 0.000 0.951 13 G HN 0.372 nan 8.290 nan 0.000 0.615 14 T N 0.240 114.402 114.554 -0.652 0.000 2.732 14 T HA -0.027 4.323 4.350 -0.000 0.000 0.261 14 T C 2.151 176.692 174.700 -0.266 0.000 1.040 14 T CA 2.732 64.619 62.100 -0.355 0.000 1.145 14 T CB -0.516 68.205 68.868 -0.245 0.000 0.866 14 T HN 0.704 nan 8.240 nan 0.000 0.427 15 Y N 1.889 122.176 120.300 -0.022 0.000 2.241 15 Y HA 0.280 4.830 4.550 -0.000 0.000 0.286 15 Y C 1.363 177.245 175.900 -0.031 0.000 1.166 15 Y CA 0.050 58.137 58.100 -0.021 0.000 1.203 15 Y CB -1.146 37.307 38.460 -0.011 0.000 0.977 15 Y HN 0.375 nan 8.280 nan 0.000 0.529 16 G N -0.895 108.038 108.800 0.220 0.000 2.439 16 G HA2 0.293 4.253 3.960 -0.000 0.000 0.186 16 G HA3 0.293 4.253 3.960 -0.000 0.000 0.186 16 G C -1.739 173.242 174.900 0.135 0.000 1.260 16 G CA -0.406 44.788 45.100 0.158 0.000 1.020 16 G HN 0.183 nan 8.290 nan 0.000 0.470 17 V N 0.176 120.150 119.914 0.101 0.000 2.715 17 V HA 0.741 4.861 4.120 -0.000 0.000 0.310 17 V C -0.089 175.961 176.094 -0.072 0.000 1.054 17 V CA -0.724 61.551 62.300 -0.040 0.000 0.928 17 V CB 1.670 33.405 31.823 -0.148 0.000 1.007 17 V HN 0.797 nan 8.190 nan 0.000 0.437 18 V N 3.718 123.513 119.914 -0.197 0.000 2.495 18 V HA 0.557 4.677 4.120 -0.000 0.000 0.298 18 V C -1.200 174.715 176.094 -0.298 0.000 1.031 18 V CA -0.699 61.525 62.300 -0.126 0.000 0.871 18 V CB 1.483 33.276 31.823 -0.049 0.000 0.988 18 V HN 0.754 nan 8.190 nan 0.000 0.432 19 Y N 2.071 122.409 120.300 0.063 0.000 2.485 19 Y HA 0.514 5.064 4.550 -0.000 0.000 0.345 19 Y C 0.214 176.134 175.900 0.033 0.000 0.998 19 Y CA -0.891 57.236 58.100 0.046 0.000 1.059 19 Y CB 1.874 40.355 38.460 0.035 0.000 1.234 19 Y HN 0.496 nan 8.280 nan 0.000 0.461 20 K N 1.999 122.509 120.400 0.183 0.000 2.205 20 K HA 0.806 5.126 4.320 -0.000 0.000 0.279 20 K C -0.996 175.610 176.600 0.009 0.000 1.027 20 K CA -0.152 56.162 56.287 0.045 0.000 0.932 20 K CB 0.557 33.009 32.500 -0.081 0.000 1.032 20 K HN 0.842 nan 8.250 nan 0.000 0.466 21 A N 3.847 126.636 122.820 -0.051 0.000 2.583 21 A HA 0.625 4.945 4.320 -0.000 0.000 0.289 21 A C -1.495 176.090 177.584 0.002 0.000 1.151 21 A CA -0.906 51.115 52.037 -0.028 0.000 0.695 21 A CB 1.561 20.520 19.000 -0.069 0.000 1.290 21 A HN 0.802 nan 8.150 nan 0.000 0.419 22 R N 0.973 121.531 120.500 0.096 0.000 2.628 22 R HA 0.313 4.653 4.340 -0.000 0.000 0.288 22 R C -1.238 175.193 176.300 0.219 0.000 0.980 22 R CA -0.666 55.504 56.100 0.116 0.000 0.891 22 R CB 1.273 31.589 30.300 0.026 0.000 1.188 22 R HN 0.830 nan 8.270 nan 0.000 0.450 23 N N 3.492 122.303 118.700 0.185 0.000 2.431 23 N HA -0.006 4.734 4.740 -0.000 0.000 0.265 23 N C 0.074 175.546 175.510 -0.065 0.000 1.184 23 N CA 0.426 53.467 53.050 -0.016 0.000 0.943 23 N CB 1.103 39.570 38.487 -0.033 0.000 1.080 23 N HN 0.636 nan 8.380 nan 0.000 0.477 24 K N 3.097 123.427 120.400 -0.117 0.000 2.147 24 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 24 K C 1.494 178.044 176.600 -0.082 0.000 1.049 24 K CA 1.132 57.368 56.287 -0.084 0.000 0.936 24 K CB 0.240 32.685 32.500 -0.092 0.000 0.722 24 K HN 0.543 nan 8.250 nan 0.000 0.446 25 L N -0.100 121.056 121.223 -0.111 0.000 2.202 25 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 25 L C 2.452 179.284 176.870 -0.064 0.000 1.083 25 L CA 1.196 55.983 54.840 -0.087 0.000 0.790 25 L CB -0.291 41.705 42.059 -0.106 0.000 0.942 25 L HN 0.289 nan 8.230 nan 0.000 0.452 26 T N -4.706 109.810 114.554 -0.063 0.000 3.014 26 T HA 0.238 4.588 4.350 -0.000 0.000 0.250 26 T C 1.520 176.209 174.700 -0.018 0.000 1.060 26 T CA 0.579 62.657 62.100 -0.036 0.000 1.040 26 T CB 0.804 69.654 68.868 -0.031 0.000 0.971 26 T HN 0.382 nan 8.240 nan 0.000 0.497 27 G N 1.523 110.313 108.800 -0.016 0.000 2.179 27 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 27 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 27 G C -0.124 174.784 174.900 0.013 0.000 0.977 27 G CA 0.307 45.405 45.100 -0.003 0.000 0.641 27 G HN 0.895 nan 8.290 nan 0.000 0.533 28 E N 0.597 120.813 120.200 0.028 0.000 2.415 28 E HA 0.364 4.714 4.350 -0.000 0.000 0.263 28 E C 0.422 177.061 176.600 0.065 0.000 0.995 28 E CA -0.363 56.067 56.400 0.050 0.000 0.915 28 E CB 0.589 30.329 29.700 0.068 0.000 0.951 28 E HN 0.164 nan 8.360 nan 0.000 0.449 29 V N 5.816 125.750 119.914 0.033 0.000 2.498 29 V HA 0.299 4.419 4.120 -0.000 0.000 0.279 29 V C 0.357 176.475 176.094 0.041 0.000 1.048 29 V CA -0.196 62.091 62.300 -0.021 0.000 0.967 29 V CB 0.898 32.644 31.823 -0.128 0.000 0.988 29 V HN 0.586 nan 8.190 nan 0.000 0.473 30 V N 1.847 121.776 119.914 0.024 0.000 3.182 30 V HA 1.035 5.155 4.120 -0.000 0.000 0.308 30 V C -0.419 175.735 176.094 0.100 0.000 1.240 30 V CA -0.950 61.401 62.300 0.085 0.000 1.063 30 V CB 2.080 33.914 31.823 0.020 0.000 1.076 30 V HN 1.084 nan 8.190 nan 0.000 0.446 31 A N 1.993 124.916 122.820 0.171 0.000 2.304 31 A HA 0.844 5.164 4.320 -0.000 0.000 0.314 31 A C -0.800 176.877 177.584 0.155 0.000 1.187 31 A CA -0.569 51.582 52.037 0.190 0.000 0.810 31 A CB 0.693 19.812 19.000 0.198 0.000 1.183 31 A HN 0.964 nan 8.150 nan 0.000 0.487 32 L N 2.495 123.782 121.223 0.106 0.000 2.265 32 L HA 0.395 4.735 4.340 -0.000 0.000 0.289 32 L C 0.249 177.250 176.870 0.218 0.000 1.033 32 L CA -0.485 54.426 54.840 0.119 0.000 0.814 32 L CB 1.439 43.523 42.059 0.042 0.000 1.203 32 L HN 0.733 nan 8.230 nan 0.000 0.423 33 K N 4.513 125.053 120.400 0.234 0.000 2.248 33 K HA 0.259 4.579 4.320 -0.000 0.000 0.281 33 K C -0.542 176.135 176.600 0.129 0.000 1.054 33 K CA -0.473 55.897 56.287 0.138 0.000 0.903 33 K CB 0.883 33.447 32.500 0.106 0.000 1.077 33 K HN 0.331 nan 8.250 nan 0.000 0.474 34 K N 5.406 125.872 120.400 0.110 0.000 2.159 34 K HA 0.371 4.691 4.320 -0.000 0.000 0.266 34 K C -1.025 175.532 176.600 -0.072 0.000 0.975 34 K CA -0.599 55.660 56.287 -0.046 0.000 0.865 34 K CB 0.781 33.347 32.500 0.110 0.000 1.087 34 K HN 0.590 nan 8.250 nan 0.000 0.446 35 I N 4.840 125.288 120.570 -0.203 0.000 2.439 35 I HA 0.303 4.473 4.170 -0.000 0.000 0.283 35 I C -0.176 175.861 176.117 -0.134 0.000 1.023 35 I CA -0.816 60.421 61.300 -0.105 0.000 1.100 35 I CB 1.717 39.662 38.000 -0.093 0.000 1.238 35 I HN 0.483 nan 8.210 nan 0.000 0.445 36 R N 5.976 126.436 120.500 -0.065 0.000 2.296 36 R HA 0.307 4.647 4.340 -0.000 0.000 0.323 36 R C 0.546 176.827 176.300 -0.032 0.000 1.067 36 R CA -0.242 55.828 56.100 -0.050 0.000 0.946 36 R CB 0.941 31.232 30.300 -0.015 0.000 0.991 36 R HN 0.658 nan 8.270 nan 0.000 0.448 37 L N 2.242 123.447 121.223 -0.030 0.000 2.612 37 L HA 0.035 4.375 4.340 -0.000 0.000 0.230 37 L C 0.494 177.369 176.870 0.009 0.000 1.140 37 L CA 0.465 55.300 54.840 -0.007 0.000 0.896 37 L CB 0.038 42.101 42.059 0.007 0.000 1.065 37 L HN 0.544 nan 8.230 nan 0.000 0.447 38 D N -1.348 119.056 120.400 0.007 0.000 2.398 38 D HA 0.031 4.671 4.640 -0.000 0.000 0.210 38 D C 1.641 177.946 176.300 0.008 0.000 1.094 38 D CA 0.373 54.380 54.000 0.011 0.000 0.839 38 D CB 0.736 41.545 40.800 0.014 0.000 0.963 38 D HN 0.124 nan 8.370 nan 0.000 0.506 39 T N 0.487 115.043 114.554 0.004 0.000 3.055 39 T HA -0.020 4.330 4.350 -0.000 0.000 0.265 39 T C 1.380 176.081 174.700 0.002 0.000 1.111 39 T CA 0.863 62.964 62.100 0.002 0.000 1.118 39 T CB 0.510 69.377 68.868 -0.001 0.000 0.909 39 T HN 0.067 nan 8.240 nan 0.000 0.501 40 E N -0.054 120.148 120.200 0.005 0.000 2.568 40 E HA 0.066 4.416 4.350 -0.000 0.000 0.220 40 E C 0.796 177.401 176.600 0.009 0.000 0.869 40 E CA 0.620 57.024 56.400 0.005 0.000 1.268 40 E CB 0.207 29.910 29.700 0.006 0.000 1.252 40 E HN 0.570 nan 8.360 nan 0.000 0.606 41 T N 0.438 114.999 114.554 0.012 0.000 3.795 41 T HA -0.234 4.116 4.350 -0.000 0.000 0.370 41 T C 0.391 175.100 174.700 0.016 0.000 0.761 41 T CA 1.446 63.555 62.100 0.015 0.000 1.923 41 T CB -1.649 67.227 68.868 0.013 0.000 1.795 41 T HN 0.051 nan 8.240 nan 0.000 0.762 42 E N 0.153 120.363 120.200 0.017 0.000 2.758 42 E HA 0.507 4.857 4.350 -0.000 0.000 0.215 42 E C 1.221 177.835 176.600 0.023 0.000 0.985 42 E CA 0.919 57.330 56.400 0.018 0.000 1.102 42 E CB 0.547 30.256 29.700 0.015 0.000 1.042 42 E HN 1.315 nan 8.360 nan 0.000 0.480 43 G N -0.427 108.391 108.800 0.030 0.000 2.615 43 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 43 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 43 G C -0.564 174.359 174.900 0.038 0.000 1.339 43 G CA -0.476 44.649 45.100 0.042 0.000 0.884 43 G HN 0.200 nan 8.290 nan 0.000 0.559 44 V N 2.851 122.793 119.914 0.047 0.000 2.521 44 V HA 0.368 4.488 4.120 -0.000 0.000 0.286 44 V C -1.279 174.823 176.094 0.014 0.000 1.034 44 V CA -0.342 61.968 62.300 0.016 0.000 1.045 44 V CB 0.986 32.821 31.823 0.020 0.000 0.974 44 V HN 0.633 nan 8.190 nan 0.000 0.480 45 P HA 0.074 nan 4.420 nan 0.000 0.264 45 P C 0.902 178.218 177.300 0.026 0.000 1.183 45 P CA 0.316 63.429 63.100 0.022 0.000 0.763 45 P CB 0.555 32.274 31.700 0.032 0.000 0.807 46 S N 1.369 117.086 115.700 0.029 0.000 2.374 46 S HA -0.214 4.256 4.470 -0.000 0.000 0.227 46 S C 2.000 176.623 174.600 0.038 0.000 1.037 46 S CA 2.065 60.282 58.200 0.029 0.000 1.024 46 S CB -0.901 62.314 63.200 0.026 0.000 0.861 46 S HN 0.685 nan 8.310 nan 0.000 0.456 47 T N 1.615 116.199 114.554 0.051 0.000 2.720 47 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 47 T C 1.826 176.560 174.700 0.057 0.000 1.037 47 T CA 1.599 63.738 62.100 0.066 0.000 1.144 47 T CB -0.454 68.472 68.868 0.098 0.000 0.864 47 T HN 0.421 nan 8.240 nan 0.000 0.444 48 A N 1.435 124.280 122.820 0.041 0.000 1.897 48 A HA 0.101 4.421 4.320 -0.000 0.000 0.215 48 A C 2.306 179.896 177.584 0.010 0.000 1.181 48 A CA 1.157 53.204 52.037 0.016 0.000 0.620 48 A CB -0.580 18.413 19.000 -0.012 0.000 0.821 48 A HN 0.537 nan 8.150 nan 0.000 0.443 49 I N 0.098 120.677 120.570 0.015 0.000 2.118 49 I HA -0.282 3.888 4.170 -0.000 0.000 0.241 49 I C 2.624 178.753 176.117 0.020 0.000 1.070 49 I CA 1.830 63.139 61.300 0.016 0.000 1.327 49 I CB -1.283 36.730 38.000 0.022 0.000 1.034 49 I HN 0.385 nan 8.210 nan 0.000 0.405 50 R N 0.201 120.720 120.500 0.032 0.000 2.066 50 R HA -0.176 4.164 4.340 -0.000 0.000 0.232 50 R C 2.216 178.546 176.300 0.051 0.000 1.131 50 R CA 1.354 57.479 56.100 0.042 0.000 0.955 50 R CB -0.358 29.973 30.300 0.051 0.000 0.851 50 R HN 0.458 nan 8.270 nan 0.000 0.432 51 E N 1.194 121.430 120.200 0.060 0.000 2.058 51 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 51 E C 1.906 178.511 176.600 0.008 0.000 0.997 51 E CA 1.294 57.741 56.400 0.078 0.000 0.801 51 E CB -0.034 29.727 29.700 0.102 0.000 0.746 51 E HN 0.278 nan 8.360 nan 0.000 0.450 52 I N 1.011 121.574 120.570 -0.011 0.000 2.163 52 I HA -0.263 3.907 4.170 -0.000 0.000 0.240 52 I C 2.753 178.839 176.117 -0.051 0.000 1.081 52 I CA 1.363 62.630 61.300 -0.054 0.000 1.353 52 I CB -0.456 37.513 38.000 -0.051 0.000 1.054 52 I HN 0.228 nan 8.210 nan 0.000 0.407 53 S N 1.319 117.006 115.700 -0.022 0.000 2.382 53 S HA -0.113 4.357 4.470 -0.000 0.000 0.228 53 S C 1.943 176.533 174.600 -0.018 0.000 1.027 53 S CA 1.009 59.201 58.200 -0.015 0.000 0.991 53 S CB -0.790 62.412 63.200 0.003 0.000 0.823 53 S HN 0.400 nan 8.310 nan 0.000 0.469 54 L N -0.265 120.951 121.223 -0.013 0.000 2.162 54 L HA 0.136 4.476 4.340 -0.000 0.000 0.205 54 L C 2.523 179.337 176.870 -0.094 0.000 1.086 54 L CA 0.339 55.173 54.840 -0.010 0.000 0.778 54 L CB -0.507 41.587 42.059 0.059 0.000 0.928 54 L HN 0.260 nan 8.230 nan 0.000 0.446 55 L N 1.055 122.173 121.223 -0.174 0.000 2.056 55 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 55 L C 2.534 179.298 176.870 -0.177 0.000 1.078 55 L CA 1.757 56.419 54.840 -0.295 0.000 0.749 55 L CB -0.706 41.176 42.059 -0.294 0.000 0.901 55 L HN 0.328 nan 8.230 nan 0.000 0.433 56 K N -1.183 119.144 120.400 -0.121 0.000 2.574 56 K HA -0.116 4.204 4.320 -0.000 0.000 0.193 56 K C 1.260 177.832 176.600 -0.046 0.000 1.035 56 K CA 1.107 57.342 56.287 -0.086 0.000 0.982 56 K CB -0.133 32.323 32.500 -0.074 0.000 0.795 56 K HN 0.414 nan 8.250 nan 0.000 0.491 57 E N 0.627 120.805 120.200 -0.037 0.000 2.460 57 E HA 0.160 4.510 4.350 -0.000 0.000 0.200 57 E C -0.167 176.449 176.600 0.026 0.000 1.011 57 E CA -0.109 56.295 56.400 0.007 0.000 0.912 57 E CB 0.427 30.138 29.700 0.018 0.000 0.953 57 E HN 0.255 nan 8.360 nan 0.000 0.494 58 L N 2.287 123.507 121.223 -0.005 0.000 2.407 58 L HA 0.275 4.614 4.340 -0.000 0.000 0.261 58 L C -0.201 176.683 176.870 0.024 0.000 1.108 58 L CA -0.225 54.658 54.840 0.072 0.000 0.995 58 L CB 0.164 42.217 42.059 -0.011 0.000 1.349 58 L HN -0.014 nan 8.230 nan 0.000 0.423 59 N N 2.588 121.315 118.700 0.044 0.000 2.462 59 N HA 0.200 4.940 4.740 -0.000 0.000 0.242 59 N C -1.101 174.228 175.510 -0.302 0.000 1.010 59 N CA -0.326 52.671 53.050 -0.089 0.000 0.939 59 N CB 0.615 39.072 38.487 -0.051 0.000 1.127 59 N HN 0.470 nan 8.380 nan 0.000 0.509 60 H N 4.048 122.856 119.070 -0.436 0.000 3.038 60 H HA 0.211 4.767 4.556 -0.000 0.000 0.362 60 H C -2.256 172.884 175.328 -0.314 0.000 1.167 60 H CA -1.312 54.376 56.048 -0.600 0.000 1.197 60 H CB 2.557 31.742 29.762 -0.962 0.000 1.840 60 H HN 0.400 nan 8.280 nan 0.000 0.540 61 P HA -0.086 nan 4.420 nan 0.000 0.221 61 P C 0.001 177.242 177.300 -0.099 0.000 1.145 61 P CA 1.143 64.062 63.100 -0.302 0.000 0.795 61 P CB 0.352 31.842 31.700 -0.350 0.000 0.775 62 N N -0.735 118.034 118.700 0.114 0.000 2.273 62 N HA 0.246 4.986 4.740 -0.000 0.000 0.231 62 N C -0.005 175.560 175.510 0.092 0.000 1.134 62 N CA -0.135 52.982 53.050 0.112 0.000 0.856 62 N CB 0.262 38.818 38.487 0.114 0.000 1.068 62 N HN 0.161 nan 8.380 nan 0.000 0.510 63 I N 0.655 121.280 120.570 0.092 0.000 2.466 63 I HA 0.190 4.360 4.170 -0.000 0.000 0.289 63 I C -0.110 176.041 176.117 0.057 0.000 1.026 63 I CA -1.100 60.263 61.300 0.104 0.000 1.078 63 I CB 2.230 40.285 38.000 0.091 0.000 1.249 63 I HN -0.190 nan 8.210 nan 0.000 0.429 64 V N 6.848 126.820 119.914 0.096 0.000 2.720 64 V HA -0.074 4.046 4.120 -0.000 0.000 0.307 64 V C 0.377 176.521 176.094 0.085 0.000 1.071 64 V CA 0.627 62.977 62.300 0.084 0.000 1.199 64 V CB 0.756 32.641 31.823 0.104 0.000 0.900 64 V HN 0.742 nan 8.190 nan 0.000 0.494 65 K N 5.408 125.858 120.400 0.083 0.000 2.201 65 K HA 0.431 4.751 4.320 -0.000 0.000 0.278 65 K C -0.812 175.805 176.600 0.027 0.000 1.027 65 K CA -0.808 55.497 56.287 0.029 0.000 0.909 65 K CB 1.170 33.667 32.500 -0.005 0.000 1.062 65 K HN 0.626 nan 8.250 nan 0.000 0.465 66 L N 6.647 127.794 121.223 -0.126 0.000 2.261 66 L HA 0.207 4.547 4.340 -0.000 0.000 0.289 66 L C 0.148 176.877 176.870 -0.235 0.000 1.059 66 L CA 0.260 54.871 54.840 -0.382 0.000 0.816 66 L CB 0.716 42.517 42.059 -0.430 0.000 1.191 66 L HN 0.849 nan 8.230 nan 0.000 0.431 67 L N 2.918 124.015 121.223 -0.210 0.000 2.202 67 L HA 0.263 4.603 4.340 -0.000 0.000 0.205 67 L C 0.350 177.168 176.870 -0.088 0.000 1.083 67 L CA 0.522 55.303 54.840 -0.098 0.000 0.790 67 L CB -0.057 41.986 42.059 -0.028 0.000 0.942 67 L HN 0.640 nan 8.230 nan 0.000 0.452 68 D N -2.162 118.161 120.400 -0.127 0.000 2.665 68 D HA 0.435 5.075 4.640 -0.000 0.000 0.287 68 D C -1.563 174.678 176.300 -0.099 0.000 1.266 68 D CA -0.212 53.746 54.000 -0.070 0.000 0.830 68 D CB 2.895 43.708 40.800 0.021 0.000 1.356 68 D HN -0.359 nan 8.370 nan 0.000 0.437 69 V N 1.827 121.721 119.914 -0.034 0.000 2.612 69 V HA 0.470 4.590 4.120 -0.000 0.000 0.301 69 V C -0.689 175.443 176.094 0.065 0.000 1.059 69 V CA -0.582 61.712 62.300 -0.011 0.000 0.886 69 V CB 1.589 33.395 31.823 -0.029 0.000 1.007 69 V HN 0.367 nan 8.190 nan 0.000 0.426 70 I N 4.524 125.167 120.570 0.123 0.000 2.382 70 I HA 0.431 4.601 4.170 -0.000 0.000 0.285 70 I C -0.268 175.992 176.117 0.238 0.000 1.007 70 I CA -0.286 61.123 61.300 0.181 0.000 1.142 70 I CB 1.191 39.308 38.000 0.195 0.000 1.289 70 I HN 0.545 nan 8.210 nan 0.000 0.453 71 H N 5.924 125.055 119.070 0.102 0.000 2.700 71 H HA 0.386 4.942 4.556 -0.000 0.000 0.269 71 H C 0.169 175.545 175.328 0.080 0.000 1.222 71 H CA -0.349 55.745 56.048 0.078 0.000 1.254 71 H CB 0.504 30.290 29.762 0.041 0.000 1.413 71 H HN 0.751 nan 8.280 nan 0.000 0.507 72 T N -0.245 114.520 114.554 0.351 0.000 2.900 72 T HA 0.066 4.416 4.350 -0.000 0.000 0.326 72 T C 1.378 176.206 174.700 0.214 0.000 1.145 72 T CA -0.261 61.976 62.100 0.229 0.000 0.963 72 T CB 0.993 69.988 68.868 0.212 0.000 1.512 72 T HN 0.611 nan 8.240 nan 0.000 0.552 73 E N 0.821 121.095 120.200 0.124 0.000 2.046 73 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 73 E C 1.568 178.231 176.600 0.104 0.000 0.982 73 E CA 1.283 57.734 56.400 0.085 0.000 0.800 73 E CB -0.120 29.611 29.700 0.052 0.000 0.756 73 E HN 0.770 nan 8.360 nan 0.000 0.449 74 N N 0.034 118.789 118.700 0.091 0.000 2.205 74 N HA 0.073 4.813 4.740 -0.000 0.000 0.201 74 N C -0.435 175.094 175.510 0.033 0.000 1.128 74 N CA -0.030 53.058 53.050 0.063 0.000 0.867 74 N CB 0.768 39.283 38.487 0.047 0.000 0.996 74 N HN -0.043 nan 8.380 nan 0.000 0.503 75 K N 0.166 120.590 120.400 0.040 0.000 2.477 75 K HA 0.490 4.810 4.320 -0.000 0.000 0.255 75 K C -1.828 174.689 176.600 -0.138 0.000 0.952 75 K CA -0.819 55.410 56.287 -0.097 0.000 0.826 75 K CB 2.583 34.993 32.500 -0.150 0.000 1.331 75 K HN -0.079 nan 8.250 nan 0.000 0.437 76 L N 2.348 123.372 121.223 -0.331 0.000 2.406 76 L HA 0.467 4.807 4.340 -0.000 0.000 0.272 76 L C -1.958 174.714 176.870 -0.330 0.000 0.980 76 L CA -0.340 54.320 54.840 -0.300 0.000 0.831 76 L CB 0.971 42.812 42.059 -0.364 0.000 1.253 76 L HN 0.524 nan 8.230 nan 0.000 0.406 77 Y N 5.159 125.436 120.300 -0.038 0.000 2.352 77 Y HA 0.630 5.180 4.550 -0.000 0.000 0.339 77 Y C -0.419 175.446 175.900 -0.058 0.000 0.992 77 Y CA -0.768 57.319 58.100 -0.021 0.000 1.100 77 Y CB 1.757 40.214 38.460 -0.004 0.000 1.192 77 Y HN 0.339 nan 8.280 nan 0.000 0.458 78 L N 4.511 125.785 121.223 0.086 0.000 2.307 78 L HA 0.624 4.964 4.340 -0.000 0.000 0.284 78 L C -0.867 175.948 176.870 -0.093 0.000 1.023 78 L CA -1.143 53.645 54.840 -0.086 0.000 0.810 78 L CB 1.442 43.450 42.059 -0.086 0.000 1.231 78 L HN 0.325 nan 8.230 nan 0.000 0.423 79 V N 3.512 123.275 119.914 -0.252 0.000 2.370 79 V HA 0.470 4.590 4.120 -0.000 0.000 0.283 79 V C -0.328 175.599 176.094 -0.278 0.000 1.023 79 V CA -0.304 61.893 62.300 -0.172 0.000 0.857 79 V CB 1.273 33.019 31.823 -0.129 0.000 0.985 79 V HN 0.408 nan 8.190 nan 0.000 0.443 80 F N 1.747 121.670 119.950 -0.046 0.000 2.594 80 F HA 0.544 5.071 4.527 -0.000 0.000 0.335 80 F C 0.751 176.551 175.800 -0.000 0.000 1.058 80 F CA -1.143 56.839 58.000 -0.029 0.000 0.981 80 F CB 1.160 40.137 39.000 -0.038 0.000 1.289 80 F HN 0.603 nan 8.300 nan 0.000 0.490 81 E N 0.439 120.769 120.200 0.216 0.000 2.392 81 E HA 0.241 4.591 4.350 -0.000 0.000 0.259 81 E C -1.387 175.306 176.600 0.155 0.000 1.108 81 E CA -0.423 56.062 56.400 0.141 0.000 0.916 81 E CB 0.960 30.707 29.700 0.078 0.000 0.989 81 E HN 0.467 nan 8.360 nan 0.000 0.432 82 F N 1.512 121.449 119.950 -0.021 0.000 2.443 82 F HA 0.506 5.033 4.527 -0.000 0.000 0.335 82 F C -1.509 174.199 175.800 -0.153 0.000 1.104 82 F CA -0.942 57.011 58.000 -0.079 0.000 1.013 82 F CB 0.916 39.861 39.000 -0.091 0.000 1.136 82 F HN 0.354 nan 8.300 nan 0.000 0.470 83 L N 5.384 125.925 121.223 -1.136 0.000 2.370 83 L HA 0.355 4.695 4.340 -0.000 0.000 0.266 83 L C 0.326 176.440 176.870 -1.260 0.000 1.002 83 L CA -0.503 53.811 54.840 -0.876 0.000 0.818 83 L CB 2.058 43.871 42.059 -0.409 0.000 1.325 83 L HN 0.691 nan 8.230 nan 0.000 0.418 84 H N -0.572 118.192 119.070 -0.510 0.000 2.423 84 H HA 0.035 4.591 4.556 -0.000 0.000 0.297 84 H C 0.227 175.451 175.328 -0.173 0.000 1.075 84 H CA 0.740 56.646 56.048 -0.238 0.000 1.342 84 H CB 0.109 29.872 29.762 0.002 0.000 1.395 84 H HN 0.435 nan 8.280 nan 0.000 0.530 85 Q N 0.450 120.210 119.800 -0.067 0.000 2.511 85 Q HA 0.260 4.600 4.340 -0.000 0.000 0.289 85 Q C -1.899 174.042 176.000 -0.097 0.000 1.021 85 Q CA -0.960 54.814 55.803 -0.048 0.000 0.785 85 Q CB 1.916 30.658 28.738 0.008 0.000 1.472 85 Q HN 0.268 nan 8.270 nan 0.000 0.411 86 D N 0.478 120.845 120.400 -0.054 0.000 2.269 86 D HA 0.239 4.879 4.640 -0.000 0.000 0.244 86 D C 0.382 176.680 176.300 -0.003 0.000 0.992 86 D CA -0.731 53.228 54.000 -0.068 0.000 0.894 86 D CB 0.900 41.661 40.800 -0.066 0.000 1.248 86 D HN 0.489 nan 8.370 nan 0.000 0.468 87 L N 1.243 122.449 121.223 -0.029 0.000 2.127 87 L HA -0.115 4.225 4.340 -0.000 0.000 0.211 87 L C 2.061 179.007 176.870 0.127 0.000 1.089 87 L CA 1.892 56.773 54.840 0.069 0.000 0.757 87 L CB -0.698 41.355 42.059 -0.010 0.000 0.899 87 L HN 0.706 nan 8.230 nan 0.000 0.434 88 K N -0.457 119.976 120.400 0.056 0.000 2.026 88 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 88 K C 2.099 178.742 176.600 0.072 0.000 1.048 88 K CA 1.708 58.031 56.287 0.059 0.000 0.929 88 K CB -0.061 32.455 32.500 0.026 0.000 0.713 88 K HN 0.325 nan 8.250 nan 0.000 0.439 89 K N -0.370 120.075 120.400 0.075 0.000 2.148 89 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 89 K C 1.980 178.649 176.600 0.116 0.000 1.050 89 K CA 1.131 57.462 56.287 0.074 0.000 0.942 89 K CB -0.204 32.334 32.500 0.063 0.000 0.724 89 K HN 0.122 nan 8.250 nan 0.000 0.446 90 F N 1.757 121.710 119.950 0.005 0.000 2.146 90 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 90 F C 1.976 177.794 175.800 0.029 0.000 1.096 90 F CA 1.382 59.394 58.000 0.020 0.000 1.275 90 F CB -0.154 38.879 39.000 0.054 0.000 1.008 90 F HN -0.102 nan 8.300 nan 0.000 0.480 91 M N -0.218 119.353 119.600 -0.048 0.000 2.086 91 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 91 M C 2.206 178.425 176.300 -0.135 0.000 1.067 91 M CA 2.091 57.313 55.300 -0.129 0.000 1.116 91 M CB -0.813 31.798 32.600 0.018 0.000 1.348 91 M HN 0.181 nan 8.290 nan 0.000 0.407 92 D N 0.563 120.928 120.400 -0.059 0.000 2.104 92 D HA -0.145 4.495 4.640 -0.000 0.000 0.194 92 D C 1.780 178.027 176.300 -0.089 0.000 0.994 92 D CA 1.732 55.703 54.000 -0.047 0.000 0.830 92 D CB 0.174 40.969 40.800 -0.007 0.000 0.959 92 D HN 0.334 nan 8.370 nan 0.000 0.452 93 A N -0.190 122.561 122.820 -0.115 0.000 2.168 93 A HA -0.015 4.305 4.320 -0.000 0.000 0.215 93 A C 2.096 179.546 177.584 -0.223 0.000 1.152 93 A CA 0.973 52.928 52.037 -0.138 0.000 0.716 93 A CB -0.016 18.924 19.000 -0.099 0.000 0.794 93 A HN 0.206 nan 8.150 nan 0.000 0.465 94 S N -0.609 114.900 115.700 -0.318 0.000 2.557 94 S HA 0.396 4.866 4.470 -0.000 0.000 0.223 94 S C 1.822 176.311 174.600 -0.185 0.000 0.969 94 S CA 0.306 58.311 58.200 -0.326 0.000 0.927 94 S CB 0.247 63.110 63.200 -0.563 0.000 0.806 94 S HN 0.711 nan 8.310 nan 0.000 0.489 95 A N 2.134 124.873 122.820 -0.135 0.000 1.884 95 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 95 A C 2.048 179.590 177.584 -0.069 0.000 1.197 95 A CA 1.647 53.631 52.037 -0.087 0.000 0.637 95 A CB -0.810 18.153 19.000 -0.062 0.000 0.827 95 A HN 0.470 nan 8.150 nan 0.000 0.450 96 L N 0.110 121.298 121.223 -0.059 0.000 2.012 96 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 96 L C 2.681 179.530 176.870 -0.036 0.000 1.073 96 L CA 3.160 57.976 54.840 -0.040 0.000 0.748 96 L CB -0.740 41.303 42.059 -0.027 0.000 0.891 96 L HN 0.605 nan 8.230 nan 0.000 0.431 97 T N -3.513 111.017 114.554 -0.040 0.000 3.040 97 T HA 0.452 4.802 4.350 -0.000 0.000 0.252 97 T C 1.005 175.682 174.700 -0.038 0.000 1.064 97 T CA 0.251 62.335 62.100 -0.027 0.000 1.110 97 T CB -0.510 68.357 68.868 -0.002 0.000 0.921 97 T HN 0.814 nan 8.240 nan 0.000 0.480 98 G N 1.572 110.331 108.800 -0.068 0.000 2.999 98 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.686 98 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.686 98 G C -0.512 174.351 174.900 -0.061 0.000 1.057 98 G CA -0.688 44.370 45.100 -0.070 0.000 0.784 98 G HN 0.666 nan 8.290 nan 0.000 0.575 99 I N 3.845 124.372 120.570 -0.073 0.000 2.668 99 I HA 0.112 4.282 4.170 -0.000 0.000 0.285 99 I C -1.359 174.777 176.117 0.031 0.000 1.168 99 I CA -1.134 60.160 61.300 -0.010 0.000 1.424 99 I CB 0.547 38.584 38.000 0.062 0.000 1.377 99 I HN 0.272 nan 8.210 nan 0.000 0.560 100 P HA 0.027 nan 4.420 nan 0.000 0.266 100 P C 0.791 178.111 177.300 0.033 0.000 1.195 100 P CA -0.115 63.001 63.100 0.027 0.000 0.768 100 P CB 0.606 32.318 31.700 0.021 0.000 0.838 101 L N 4.627 125.874 121.223 0.040 0.000 2.043 101 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 101 L C -0.608 176.287 176.870 0.041 0.000 1.075 101 L CA 2.238 57.120 54.840 0.069 0.000 0.752 101 L CB -1.744 40.355 42.059 0.067 0.000 0.891 101 L HN 0.474 nan 8.230 nan 0.000 0.432 102 P HA -0.184 nan 4.420 nan 0.000 0.218 102 P C 1.643 178.908 177.300 -0.059 0.000 1.149 102 P CA 1.004 64.076 63.100 -0.047 0.000 0.817 102 P CB 0.080 31.749 31.700 -0.052 0.000 0.785 103 L N -0.935 120.240 121.223 -0.079 0.000 2.109 103 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 103 L C 2.065 178.800 176.870 -0.224 0.000 1.086 103 L CA 1.555 56.263 54.840 -0.219 0.000 0.760 103 L CB -1.051 40.873 42.059 -0.225 0.000 0.910 103 L HN -0.125 nan 8.230 nan 0.000 0.437 104 I N -0.524 120.045 120.570 -0.001 0.000 2.252 104 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 104 I C 2.512 178.773 176.117 0.239 0.000 1.102 104 I CA 1.377 62.781 61.300 0.173 0.000 1.385 104 I CB -0.341 37.822 38.000 0.272 0.000 1.064 104 I HN 0.295 nan 8.210 nan 0.000 0.414 105 K N 0.665 121.179 120.400 0.189 0.000 2.026 105 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 105 K C 2.378 179.147 176.600 0.281 0.000 1.048 105 K CA 1.892 58.307 56.287 0.213 0.000 0.929 105 K CB -0.158 32.283 32.500 -0.097 0.000 0.713 105 K HN 0.131 nan 8.250 nan 0.000 0.439 106 S N -0.502 115.278 115.700 0.133 0.000 2.359 106 S HA -0.179 4.291 4.470 -0.000 0.000 0.224 106 S C 1.971 176.763 174.600 0.320 0.000 1.035 106 S CA 1.148 59.448 58.200 0.167 0.000 1.018 106 S CB -0.443 62.776 63.200 0.033 0.000 0.876 106 S HN 0.415 nan 8.310 nan 0.000 0.448 107 Y N 1.071 121.455 120.300 0.140 0.000 2.181 107 Y HA 0.004 4.554 4.550 -0.000 0.000 0.288 107 Y C 2.328 178.283 175.900 0.093 0.000 1.146 107 Y CA 0.627 58.786 58.100 0.098 0.000 1.164 107 Y CB -1.268 37.253 38.460 0.101 0.000 0.982 107 Y HN 0.317 nan 8.280 nan 0.000 0.515 108 L N -0.885 120.526 121.223 0.314 0.000 2.056 108 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 108 L C 2.263 179.212 176.870 0.132 0.000 1.078 108 L CA 1.447 56.405 54.840 0.198 0.000 0.749 108 L CB -1.171 40.969 42.059 0.134 0.000 0.901 108 L HN 0.109 nan 8.230 nan 0.000 0.433 109 F N 0.442 120.351 119.950 -0.068 0.000 2.069 109 F HA -0.289 4.237 4.527 -0.000 0.000 0.298 109 F C 2.499 178.154 175.800 -0.242 0.000 1.113 109 F CA 2.203 59.904 58.000 -0.498 0.000 1.214 109 F CB -0.494 38.258 39.000 -0.413 0.000 0.978 109 F HN 0.245 nan 8.300 nan 0.000 0.474 110 Q N -0.053 119.702 119.800 -0.075 0.000 2.119 110 Q HA -0.167 4.173 4.340 -0.000 0.000 0.201 110 Q C 2.366 178.280 176.000 -0.143 0.000 0.972 110 Q CA 1.770 57.494 55.803 -0.131 0.000 0.847 110 Q CB -0.314 28.443 28.738 0.032 0.000 0.903 110 Q HN 0.466 nan 8.270 nan 0.000 0.433 111 L N 0.238 121.405 121.223 -0.093 0.000 2.083 111 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 111 L C 2.216 178.998 176.870 -0.147 0.000 1.083 111 L CA 0.904 55.680 54.840 -0.107 0.000 0.752 111 L CB -0.318 41.699 42.059 -0.070 0.000 0.899 111 L HN 0.250 nan 8.230 nan 0.000 0.433 112 L N -0.931 120.188 121.223 -0.173 0.000 2.141 112 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 112 L C 2.633 179.364 176.870 -0.233 0.000 1.094 112 L CA 1.054 55.787 54.840 -0.179 0.000 0.763 112 L CB -0.375 41.580 42.059 -0.173 0.000 0.908 112 L HN 0.353 nan 8.230 nan 0.000 0.437 113 Q N -0.467 119.142 119.800 -0.318 0.000 2.083 113 Q HA -0.111 4.229 4.340 -0.000 0.000 0.198 113 Q C 2.322 178.115 176.000 -0.345 0.000 0.969 113 Q CA 1.375 57.002 55.803 -0.293 0.000 0.838 113 Q CB -0.290 28.273 28.738 -0.292 0.000 0.900 113 Q HN 0.586 nan 8.270 nan 0.000 0.436 114 G N 0.933 109.557 108.800 -0.295 0.000 2.402 114 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 114 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 114 G C 1.366 176.148 174.900 -0.197 0.000 1.162 114 G CA 0.435 45.341 45.100 -0.323 0.000 0.777 114 G HN 0.216 nan 8.290 nan 0.000 0.539 115 L N 1.320 122.427 121.223 -0.193 0.000 2.093 115 L HA 0.215 4.555 4.340 -0.000 0.000 0.208 115 L C 3.047 179.731 176.870 -0.311 0.000 1.085 115 L CA 1.953 56.632 54.840 -0.269 0.000 0.755 115 L CB -0.648 41.241 42.059 -0.282 0.000 0.904 115 L HN 0.227 nan 8.230 nan 0.000 0.435 116 A N -1.083 121.637 122.820 -0.167 0.000 1.902 116 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 116 A C 2.262 179.877 177.584 0.051 0.000 1.181 116 A CA 1.851 53.866 52.037 -0.036 0.000 0.623 116 A CB -1.151 17.843 19.000 -0.011 0.000 0.818 116 A HN 0.493 nan 8.150 nan 0.000 0.443 117 F N 0.338 120.183 119.950 -0.175 0.000 2.134 117 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 117 F C 2.573 178.395 175.800 0.036 0.000 1.097 117 F CA 1.508 59.439 58.000 -0.115 0.000 1.264 117 F CB -0.590 38.149 39.000 -0.436 0.000 1.001 117 F HN 0.325 nan 8.300 nan 0.000 0.479 118 C N -0.224 119.157 119.300 0.134 0.000 2.413 118 C HA -0.242 4.218 4.460 -0.000 0.000 0.278 118 C C 2.708 177.880 174.990 0.304 0.000 1.224 118 C CA 1.687 60.824 59.018 0.199 0.000 1.732 118 C CB -1.670 26.200 27.740 0.216 0.000 2.050 118 C HN 0.536 nan 8.230 nan 0.000 0.463 119 H N 0.706 119.909 119.070 0.222 0.000 2.352 119 H HA -0.139 4.417 4.556 -0.000 0.000 0.299 119 H C 2.343 177.781 175.328 0.183 0.000 1.097 119 H CA 1.555 57.783 56.048 0.301 0.000 1.311 119 H CB -0.186 29.718 29.762 0.236 0.000 1.377 119 H HN 0.588 nan 8.280 nan 0.000 0.504 120 S N 0.204 116.026 115.700 0.204 0.000 2.603 120 S HA -0.095 4.375 4.470 -0.000 0.000 0.229 120 S C 0.550 175.006 174.600 -0.240 0.000 0.972 120 S CA 0.680 58.879 58.200 -0.001 0.000 0.935 120 S CB -0.196 62.989 63.200 -0.026 0.000 0.769 120 S HN 0.466 nan 8.310 nan 0.000 0.536 121 H N 1.225 120.190 119.070 -0.176 0.000 2.510 121 H HA 0.352 4.908 4.556 -0.000 0.000 0.266 121 H C 0.333 175.536 175.328 -0.210 0.000 1.146 121 H CA -0.215 55.695 56.048 -0.230 0.000 0.993 121 H CB 0.310 29.894 29.762 -0.297 0.000 1.727 121 H HN 0.475 nan 8.280 nan 0.000 0.590 122 R N -1.421 118.906 120.500 -0.289 0.000 3.502 122 R HA -0.149 4.191 4.340 -0.000 0.000 0.266 122 R C -1.555 174.573 176.300 -0.286 0.000 1.077 122 R CA 0.610 56.196 56.100 -0.857 0.000 0.718 122 R CB -3.227 26.570 30.300 -0.839 0.000 1.120 122 R HN 0.109 nan 8.270 nan 0.000 0.457 123 V N 1.221 121.305 119.914 0.283 0.000 2.487 123 V HA 0.472 4.592 4.120 -0.000 0.000 0.298 123 V C 0.387 176.846 176.094 0.608 0.000 1.028 123 V CA -0.830 61.728 62.300 0.429 0.000 0.860 123 V CB 1.829 33.842 31.823 0.316 0.000 0.991 123 V HN 0.304 nan 8.190 nan 0.000 0.427 124 L N 4.234 125.733 121.223 0.461 0.000 2.295 124 L HA 0.474 4.814 4.340 -0.000 0.000 0.285 124 L C 1.331 178.304 176.870 0.172 0.000 1.035 124 L CA -0.610 54.396 54.840 0.276 0.000 0.806 124 L CB 1.293 43.373 42.059 0.035 0.000 1.214 124 L HN 0.756 nan 8.230 nan 0.000 0.426 125 H N 4.787 123.900 119.070 0.071 0.000 2.284 125 H HA 0.009 4.565 4.556 -0.000 0.000 0.304 125 H C 0.721 175.974 175.328 -0.125 0.000 1.069 125 H CA 1.535 57.500 56.048 -0.139 0.000 1.327 125 H CB 0.546 30.156 29.762 -0.253 0.000 1.387 125 H HN 0.603 nan 8.280 nan 0.000 0.498 126 R N -0.258 120.321 120.500 0.131 0.000 3.994 126 R HA -0.179 4.161 4.340 -0.000 0.000 0.403 126 R C -0.608 175.772 176.300 0.134 0.000 1.126 126 R CA 1.073 57.209 56.100 0.060 0.000 1.143 126 R CB -1.680 28.509 30.300 -0.185 0.000 1.695 126 R HN 0.347 nan 8.270 nan 0.000 0.555 127 D N 0.297 120.889 120.400 0.320 0.000 3.216 127 D HA 0.208 4.848 4.640 -0.000 0.000 0.348 127 D C -0.666 175.717 176.300 0.138 0.000 1.407 127 D CA -0.193 53.932 54.000 0.209 0.000 0.744 127 D CB 0.313 41.180 40.800 0.112 0.000 1.264 127 D HN 0.114 nan 8.370 nan 0.000 0.543 128 L N 2.201 123.425 121.223 0.001 0.000 2.325 128 L HA 0.333 4.673 4.340 -0.000 0.000 0.284 128 L C 0.357 177.069 176.870 -0.265 0.000 1.089 128 L CA 0.139 54.834 54.840 -0.240 0.000 0.836 128 L CB 0.227 42.145 42.059 -0.235 0.000 1.184 128 L HN 0.068 nan 8.230 nan 0.000 0.444 129 K N 2.392 122.577 120.400 -0.358 0.000 2.532 129 K HA 0.493 4.813 4.320 -0.000 0.000 0.265 129 K C -2.694 173.671 176.600 -0.392 0.000 0.948 129 K CA -1.795 54.112 56.287 -0.635 0.000 0.842 129 K CB 1.758 33.962 32.500 -0.493 0.000 1.392 129 K HN -0.128 nan 8.250 nan 0.000 0.436 130 P HA -0.350 nan 4.420 nan 0.000 0.220 130 P C 1.257 178.491 177.300 -0.110 0.000 1.155 130 P CA 1.639 64.648 63.100 -0.151 0.000 0.880 130 P CB 0.164 31.838 31.700 -0.043 0.000 0.790 131 Q N -1.121 118.617 119.800 -0.102 0.000 2.226 131 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 131 Q C 0.811 176.761 176.000 -0.082 0.000 0.975 131 Q CA 1.202 56.962 55.803 -0.072 0.000 0.866 131 Q CB -0.323 28.381 28.738 -0.056 0.000 0.915 131 Q HN 0.207 nan 8.270 nan 0.000 0.440 132 N N -0.105 118.531 118.700 -0.106 0.000 2.268 132 N HA 0.172 4.912 4.740 -0.000 0.000 0.204 132 N C -0.958 174.477 175.510 -0.125 0.000 1.124 132 N CA 0.264 53.259 53.050 -0.092 0.000 0.838 132 N CB 0.503 38.953 38.487 -0.060 0.000 0.994 132 N HN 0.181 nan 8.380 nan 0.000 0.489 133 L N 1.092 122.228 121.223 -0.144 0.000 2.305 133 L HA 0.474 4.814 4.340 -0.000 0.000 0.284 133 L C -0.299 176.470 176.870 -0.169 0.000 1.013 133 L CA -0.556 54.185 54.840 -0.166 0.000 0.819 133 L CB 1.796 43.741 42.059 -0.189 0.000 1.227 133 L HN -0.224 nan 8.230 nan 0.000 0.417 134 L N 5.131 126.251 121.223 -0.172 0.000 2.325 134 L HA 0.633 4.973 4.340 -0.000 0.000 0.279 134 L C -0.150 176.585 176.870 -0.226 0.000 1.054 134 L CA -0.617 54.109 54.840 -0.190 0.000 0.804 134 L CB 1.705 43.652 42.059 -0.186 0.000 1.200 134 L HN 0.560 nan 8.230 nan 0.000 0.436 135 I N -0.323 120.113 120.570 -0.224 0.000 2.828 135 I HA 0.627 4.797 4.170 -0.000 0.000 0.302 135 I C -1.066 174.990 176.117 -0.101 0.000 1.101 135 I CA -0.778 60.385 61.300 -0.229 0.000 1.031 135 I CB 2.229 40.014 38.000 -0.358 0.000 1.231 135 I HN 0.586 nan 8.210 nan 0.000 0.427 136 N N 1.070 119.754 118.700 -0.027 0.000 2.815 136 N HA 0.369 5.109 4.740 -0.000 0.000 0.315 136 N C 0.594 176.105 175.510 0.002 0.000 1.320 136 N CA -0.114 53.019 53.050 0.138 0.000 0.846 136 N CB 0.597 39.185 38.487 0.169 0.000 1.344 136 N HN 0.744 nan 8.380 nan 0.000 0.593 137 T N -3.352 111.145 114.554 -0.095 0.000 3.035 137 T HA 0.007 4.357 4.350 -0.000 0.000 0.268 137 T C 0.797 175.471 174.700 -0.043 0.000 1.109 137 T CA 0.980 62.990 62.100 -0.150 0.000 1.119 137 T CB -0.404 68.305 68.868 -0.264 0.000 0.900 137 T HN 0.609 nan 8.240 nan 0.000 0.503 138 E N 0.941 121.144 120.200 0.005 0.000 2.435 138 E HA 0.290 4.640 4.350 -0.000 0.000 0.195 138 E C 1.515 178.133 176.600 0.030 0.000 1.029 138 E CA 0.258 56.669 56.400 0.019 0.000 0.865 138 E CB -0.066 29.654 29.700 0.033 0.000 0.833 138 E HN 0.702 nan 8.360 nan 0.000 0.510 139 G N 0.783 109.613 108.800 0.050 0.000 2.154 139 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.186 139 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.186 139 G C 0.142 175.151 174.900 0.182 0.000 1.000 139 G CA -0.114 45.049 45.100 0.105 0.000 0.664 139 G HN 0.411 nan 8.290 nan 0.000 0.513 140 A N -0.232 122.648 122.820 0.100 0.000 2.293 140 A HA 0.886 5.206 4.320 -0.000 0.000 0.302 140 A C -0.103 177.456 177.584 -0.041 0.000 1.119 140 A CA -0.180 51.890 52.037 0.055 0.000 0.823 140 A CB 1.159 20.166 19.000 0.010 0.000 1.097 140 A HN 1.376 nan 8.150 nan 0.000 0.491 141 I N 0.428 120.936 120.570 -0.103 0.000 2.647 141 I HA 0.567 4.737 4.170 -0.000 0.000 0.295 141 I C -1.057 174.971 176.117 -0.148 0.000 1.078 141 I CA -0.610 60.527 61.300 -0.270 0.000 1.048 141 I CB 1.841 39.519 38.000 -0.537 0.000 1.239 141 I HN 0.723 nan 8.210 nan 0.000 0.421 142 K N 7.213 127.528 120.400 -0.142 0.000 2.469 142 K HA 0.529 4.849 4.320 -0.000 0.000 0.254 142 K C -1.459 175.108 176.600 -0.055 0.000 0.939 142 K CA -0.844 55.402 56.287 -0.068 0.000 0.812 142 K CB 2.553 35.031 32.500 -0.038 0.000 1.301 142 K HN 0.493 nan 8.250 nan 0.000 0.433 143 L N 1.988 123.217 121.223 0.010 0.000 2.416 143 L HA 0.474 4.814 4.340 -0.000 0.000 0.272 143 L C 0.193 177.193 176.870 0.218 0.000 1.161 143 L CA -0.075 54.782 54.840 0.027 0.000 0.845 143 L CB 0.813 42.911 42.059 0.064 0.000 1.119 143 L HN 0.810 nan 8.230 nan 0.000 0.464 144 A N 1.730 124.641 122.820 0.152 0.000 2.552 144 A HA 0.558 4.878 4.320 -0.000 0.000 0.288 144 A C -0.773 176.953 177.584 0.236 0.000 1.193 144 A CA -0.423 51.759 52.037 0.241 0.000 0.713 144 A CB 1.300 20.308 19.000 0.013 0.000 1.305 144 A HN 0.714 nan 8.150 nan 0.000 0.424 145 D N -1.440 119.078 120.400 0.197 0.000 3.620 145 D HA -0.142 4.498 4.640 -0.000 0.000 0.237 145 D C -0.895 175.420 176.300 0.026 0.000 1.111 145 D CA 0.647 54.713 54.000 0.111 0.000 1.070 145 D CB -1.069 39.767 40.800 0.060 0.000 0.891 145 D HN 0.427 nan 8.370 nan 0.000 0.412 146 F N 0.354 120.259 119.950 -0.075 0.000 2.798 146 F HA 0.358 4.885 4.527 -0.000 0.000 0.291 146 F C 2.196 177.928 175.800 -0.113 0.000 1.174 146 F CA 0.196 58.087 58.000 -0.182 0.000 1.392 146 F CB 0.504 39.460 39.000 -0.074 0.000 0.966 146 F HN 0.341 nan 8.300 nan 0.000 0.509 147 G N -0.295 108.533 108.800 0.046 0.000 2.509 147 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.218 147 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.218 147 G C 1.304 176.223 174.900 0.031 0.000 1.124 147 G CA 0.557 45.700 45.100 0.073 0.000 0.776 147 G HN 0.432 nan 8.290 nan 0.000 0.547 148 L N 0.014 121.205 121.223 -0.053 0.000 3.016 148 L HA 0.407 4.747 4.340 -0.000 0.000 0.267 148 L C 1.338 178.143 176.870 -0.109 0.000 1.182 148 L CA -0.525 54.280 54.840 -0.058 0.000 0.997 148 L CB 0.422 42.448 42.059 -0.055 0.000 1.354 148 L HN 0.161 nan 8.230 nan 0.000 0.569 149 A N 1.155 123.902 122.820 -0.122 0.000 2.466 149 A HA 0.522 4.842 4.320 -0.000 0.000 0.238 149 A C 0.087 177.686 177.584 0.026 0.000 1.074 149 A CA 0.307 52.305 52.037 -0.065 0.000 0.774 149 A CB 0.325 19.378 19.000 0.089 0.000 1.015 149 A HN 0.248 nan 8.150 nan 0.000 0.498 150 R N -0.101 120.437 120.500 0.063 0.000 2.626 150 R HA 0.555 4.895 4.340 -0.000 0.000 0.274 150 R C -0.710 175.697 176.300 0.178 0.000 1.031 150 R CA -0.357 55.797 56.100 0.090 0.000 0.898 150 R CB 2.090 32.415 30.300 0.042 0.000 1.222 150 R HN 0.920 nan 8.270 nan 0.000 0.455 151 A N 2.433 125.341 122.820 0.147 0.000 2.363 151 A HA 0.459 4.779 4.320 -0.000 0.000 0.270 151 A C 0.023 177.728 177.584 0.202 0.000 1.121 151 A CA -0.295 51.823 52.037 0.136 0.000 0.800 151 A CB -0.227 18.802 19.000 0.049 0.000 1.052 151 A HN 0.639 nan 8.150 nan 0.000 0.493 152 F N 1.140 121.109 119.950 0.032 0.000 2.879 152 F HA 0.503 5.030 4.527 -0.000 0.000 0.354 152 F C 1.012 176.811 175.800 -0.000 0.000 1.291 152 F CA -0.587 57.425 58.000 0.019 0.000 1.238 152 F CB -0.150 38.864 39.000 0.022 0.000 1.005 152 F HN 0.457 nan 8.300 nan 0.000 0.508 153 G N 0.320 109.055 108.800 -0.108 0.000 2.471 153 G HA2 0.112 4.072 3.960 -0.000 0.000 0.219 153 G HA3 0.112 4.072 3.960 -0.000 0.000 0.219 153 G C 0.163 175.048 174.900 -0.025 0.000 1.125 153 G CA 0.775 45.800 45.100 -0.125 0.000 0.775 153 G HN 0.312 nan 8.290 nan 0.000 0.548 154 V N 0.737 120.670 119.914 0.030 0.000 2.709 154 V HA 0.377 4.497 4.120 -0.000 0.000 0.308 154 V C -2.230 173.910 176.094 0.076 0.000 1.062 154 V CA -1.750 60.569 62.300 0.033 0.000 0.901 154 V CB 2.560 34.397 31.823 0.023 0.000 1.003 154 V HN -0.046 nan 8.190 nan 0.000 0.425 155 P HA -0.035 nan 4.420 nan 0.000 0.261 155 P C -0.812 176.569 177.300 0.135 0.000 1.158 155 P CA 0.376 63.451 63.100 -0.041 0.000 0.758 155 P CB 0.185 31.607 31.700 -0.463 0.000 0.763 156 V N 5.708 125.763 119.914 0.235 0.000 2.383 156 V HA 0.242 4.362 4.120 -0.000 0.000 0.275 156 V C 0.897 177.271 176.094 0.467 0.000 1.036 156 V CA -0.395 62.081 62.300 0.293 0.000 0.889 156 V CB 0.796 32.746 31.823 0.212 0.000 0.985 156 V HN 0.458 nan 8.190 nan 0.000 0.459 157 R N 2.485 123.220 120.500 0.391 0.000 2.490 157 R HA 0.399 4.739 4.340 -0.000 0.000 0.278 157 R C 0.173 176.669 176.300 0.327 0.000 1.069 157 R CA -0.436 55.838 56.100 0.290 0.000 1.080 157 R CB 0.613 31.009 30.300 0.161 0.000 1.030 157 R HN 0.620 nan 8.270 nan 0.000 0.491 158 T N 2.386 117.052 114.554 0.186 0.000 2.901 158 T HA 0.078 4.428 4.350 -0.000 0.000 0.301 158 T C -1.017 173.846 174.700 0.273 0.000 1.012 158 T CA 0.440 62.664 62.100 0.207 0.000 1.135 158 T CB 0.155 68.967 68.868 -0.093 0.000 0.936 158 T HN 0.348 nan 8.240 nan 0.000 0.539 159 Y N 1.732 122.131 120.300 0.165 0.000 2.361 159 Y HA 0.289 4.839 4.550 -0.000 0.000 0.328 159 Y C 1.239 177.162 175.900 0.038 0.000 1.044 159 Y CA -1.028 57.119 58.100 0.078 0.000 1.085 159 Y CB 1.147 39.670 38.460 0.105 0.000 1.194 159 Y HN 0.671 nan 8.280 nan 0.000 0.438 160 T N 3.556 117.872 114.554 -0.395 0.000 2.649 160 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 160 T C 1.369 175.714 174.700 -0.592 0.000 1.036 160 T CA 2.446 64.242 62.100 -0.506 0.000 1.157 160 T CB -0.202 68.310 68.868 -0.592 0.000 0.861 160 T HN 0.714 nan 8.240 nan 0.000 0.445 161 H N 1.042 119.605 119.070 -0.845 0.000 2.436 161 H HA 0.150 4.706 4.556 -0.000 0.000 0.294 161 H C 0.905 176.122 175.328 -0.184 0.000 1.048 161 H CA 0.725 56.479 56.048 -0.489 0.000 1.353 161 H CB 0.009 29.477 29.762 -0.491 0.000 1.414 161 H HN 0.507 nan 8.280 nan 0.000 0.536 162 E N 1.776 122.001 120.200 0.042 0.000 2.079 162 E HA 0.330 4.680 4.350 -0.000 0.000 0.252 162 E C -0.658 176.032 176.600 0.151 0.000 0.992 162 E CA -0.360 56.151 56.400 0.186 0.000 0.829 162 E CB 0.825 30.724 29.700 0.332 0.000 1.158 162 E HN 0.046 nan 8.360 nan 0.000 0.435 163 V N -0.853 119.126 119.914 0.108 0.000 3.012 163 V HA 0.404 4.524 4.120 -0.000 0.000 0.307 163 V C 0.108 176.272 176.094 0.116 0.000 1.166 163 V CA -1.285 61.101 62.300 0.142 0.000 0.974 163 V CB 1.463 33.363 31.823 0.129 0.000 1.040 163 V HN 0.231 nan 8.190 nan 0.000 0.428 164 V N 2.130 122.134 119.914 0.151 0.000 2.999 164 V HA 0.224 4.344 4.120 -0.000 0.000 0.307 164 V C 1.148 177.330 176.094 0.145 0.000 1.084 164 V CA 1.247 63.639 62.300 0.153 0.000 1.155 164 V CB 1.439 33.389 31.823 0.212 0.000 0.975 164 V HN 1.364 nan 8.190 nan 0.000 0.490 165 T N 5.091 119.728 114.554 0.138 0.000 2.937 165 T HA 0.008 4.358 4.350 -0.000 0.000 0.316 165 T C 0.954 175.742 174.700 0.147 0.000 1.079 165 T CA 0.347 62.502 62.100 0.093 0.000 1.131 165 T CB 0.309 69.203 68.868 0.043 0.000 1.000 165 T HN 0.668 nan 8.240 nan 0.000 0.549 166 L N 4.924 126.194 121.223 0.079 0.000 2.011 166 L HA -0.151 4.189 4.340 -0.000 0.000 0.225 166 L C 1.986 179.009 176.870 0.255 0.000 1.084 166 L CA 2.220 57.143 54.840 0.138 0.000 0.791 166 L CB -1.004 41.129 42.059 0.123 0.000 0.898 166 L HN 0.842 nan 8.230 nan 0.000 0.440 167 W N -1.339 119.909 121.300 -0.086 0.000 2.321 167 W HA -0.223 4.437 4.660 -0.000 0.000 0.285 167 W C 2.125 178.387 176.519 -0.427 0.000 1.213 167 W CA 1.025 58.181 57.345 -0.315 0.000 1.205 167 W CB -1.174 27.928 29.460 -0.596 0.000 1.134 167 W HN 0.319 nan 8.180 nan 0.000 0.549 168 Y N -1.333 119.218 120.300 0.419 0.000 2.531 168 Y HA 0.276 4.826 4.550 -0.000 0.000 0.249 168 Y C 1.200 177.358 175.900 0.429 0.000 1.168 168 Y CA -0.854 57.487 58.100 0.402 0.000 1.226 168 Y CB -0.452 38.174 38.460 0.277 0.000 1.177 168 Y HN -0.333 nan 8.280 nan 0.000 0.527 169 R N 1.989 122.715 120.500 0.376 0.000 2.401 169 R HA 0.485 4.825 4.340 -0.000 0.000 0.299 169 R C 0.216 176.507 176.300 -0.016 0.000 1.064 169 R CA -0.129 56.095 56.100 0.206 0.000 1.000 169 R CB 0.375 30.746 30.300 0.118 0.000 0.973 169 R HN 0.241 nan 8.270 nan 0.000 0.438 170 A N 6.612 129.292 122.820 -0.234 0.000 2.425 170 A HA 0.198 4.518 4.320 -0.000 0.000 0.242 170 A C -1.478 175.718 177.584 -0.648 0.000 1.077 170 A CA -1.263 50.226 52.037 -0.914 0.000 0.781 170 A CB 0.170 18.880 19.000 -0.484 0.000 1.020 170 A HN 0.733 nan 8.150 nan 0.000 0.494 171 P HA -0.195 nan 4.420 nan 0.000 0.216 171 P C 0.614 177.963 177.300 0.082 0.000 1.150 171 P CA 1.631 64.573 63.100 -0.264 0.000 0.837 171 P CB 0.126 31.753 31.700 -0.122 0.000 0.786 172 E N 0.220 120.483 120.200 0.104 0.000 2.085 172 E HA -0.141 4.208 4.350 -0.000 0.000 0.194 172 E C 2.249 178.882 176.600 0.054 0.000 0.994 172 E CA 1.044 57.610 56.400 0.277 0.000 0.801 172 E CB -1.122 28.687 29.700 0.181 0.000 0.743 172 E HN 0.319 nan 8.360 nan 0.000 0.453 173 I N 0.378 120.902 120.570 -0.076 0.000 2.202 173 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 173 I C 2.176 178.249 176.117 -0.072 0.000 1.091 173 I CA 0.957 62.178 61.300 -0.131 0.000 1.368 173 I CB -0.272 37.639 38.000 -0.148 0.000 1.058 173 I HN 0.073 nan 8.210 nan 0.000 0.410 174 L N 0.230 121.418 121.223 -0.058 0.000 2.079 174 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 174 L C 2.164 179.038 176.870 0.006 0.000 1.081 174 L CA 1.292 56.105 54.840 -0.046 0.000 0.752 174 L CB -0.399 41.607 42.059 -0.089 0.000 0.896 174 L HN 0.275 nan 8.230 nan 0.000 0.433 175 L N -0.102 121.160 121.223 0.064 0.000 2.645 175 L HA 0.103 4.443 4.340 -0.000 0.000 0.235 175 L C 1.233 178.127 176.870 0.041 0.000 1.150 175 L CA 0.398 55.302 54.840 0.106 0.000 0.911 175 L CB -0.589 41.555 42.059 0.142 0.000 1.077 175 L HN 0.498 nan 8.230 nan 0.000 0.438 176 G N 0.218 109.017 108.800 -0.002 0.000 2.160 176 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.244 176 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.244 176 G C 0.505 175.369 174.900 -0.059 0.000 1.022 176 G CA 0.030 45.107 45.100 -0.037 0.000 0.741 176 G HN 0.511 nan 8.290 nan 0.000 0.508 177 C N -1.101 118.167 119.300 -0.053 0.000 2.746 177 C HA 0.537 4.997 4.460 -0.000 0.000 0.403 177 C C 2.010 176.919 174.990 -0.134 0.000 1.270 177 C CA 0.541 59.524 59.018 -0.057 0.000 1.978 177 C CB 0.961 28.696 27.740 -0.008 0.000 2.724 177 C HN 0.625 nan 8.230 nan 0.000 0.678 178 K N 0.504 120.802 120.400 -0.169 0.000 2.098 178 K HA 0.072 4.392 4.320 -0.000 0.000 0.203 178 K C -0.226 176.087 176.600 -0.478 0.000 1.051 178 K CA 0.856 56.922 56.287 -0.368 0.000 0.957 178 K CB 0.011 32.203 32.500 -0.513 0.000 0.738 178 K HN 0.801 nan 8.250 nan 0.000 0.447 179 Y N -0.715 119.577 120.300 -0.014 0.000 2.468 179 Y HA 0.280 4.830 4.550 -0.000 0.000 0.342 179 Y C -0.369 175.509 175.900 -0.036 0.000 1.021 179 Y CA -1.237 56.874 58.100 0.018 0.000 1.079 179 Y CB 0.864 39.352 38.460 0.048 0.000 1.226 179 Y HN -0.112 nan 8.280 nan 0.000 0.460 180 Y N 1.027 121.433 120.300 0.177 0.000 2.299 180 Y HA 0.448 4.998 4.550 -0.000 0.000 0.335 180 Y C 0.664 176.552 175.900 -0.020 0.000 1.287 180 Y CA 0.428 58.564 58.100 0.060 0.000 1.424 180 Y CB 1.302 39.784 38.460 0.036 0.000 1.326 180 Y HN 0.619 nan 8.280 nan 0.000 0.567 181 S N -2.020 113.725 115.700 0.076 0.000 2.596 181 S HA 0.192 4.662 4.470 -0.000 0.000 0.270 181 S C 0.473 174.942 174.600 -0.218 0.000 1.155 181 S CA -0.231 57.888 58.200 -0.136 0.000 0.827 181 S CB 0.819 63.980 63.200 -0.066 0.000 1.130 181 S HN 0.742 nan 8.310 nan 0.000 0.467 182 T N -0.625 113.657 114.554 -0.453 0.000 2.822 182 T HA -0.098 4.252 4.350 -0.000 0.000 0.270 182 T C 2.026 176.647 174.700 -0.132 0.000 1.064 182 T CA 1.602 63.363 62.100 -0.565 0.000 1.131 182 T CB -1.077 67.292 68.868 -0.833 0.000 0.858 182 T HN 1.215 nan 8.240 nan 0.000 0.483 183 A N 1.856 124.650 122.820 -0.043 0.000 2.024 183 A HA 0.024 4.344 4.320 -0.000 0.000 0.220 183 A C 2.728 180.408 177.584 0.160 0.000 1.164 183 A CA 1.825 53.905 52.037 0.072 0.000 0.643 183 A CB -1.150 17.872 19.000 0.037 0.000 0.806 183 A HN 0.896 nan 8.150 nan 0.000 0.451 184 V N -2.099 117.905 119.914 0.150 0.000 2.490 184 V HA -0.197 3.923 4.120 -0.000 0.000 0.250 184 V C 1.623 177.892 176.094 0.292 0.000 1.061 184 V CA 2.417 64.851 62.300 0.223 0.000 1.064 184 V CB -0.735 31.245 31.823 0.263 0.000 0.670 184 V HN 0.413 nan 8.190 nan 0.000 0.461 185 D N 0.488 121.047 120.400 0.265 0.000 2.162 185 D HA 0.008 4.648 4.640 -0.000 0.000 0.203 185 D C 2.234 178.674 176.300 0.234 0.000 0.967 185 D CA 1.239 55.390 54.000 0.252 0.000 0.840 185 D CB -0.017 40.959 40.800 0.294 0.000 0.972 185 D HN 0.418 nan 8.370 nan 0.000 0.482 186 I N 0.557 121.283 120.570 0.260 0.000 2.315 186 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 186 I C 2.364 178.622 176.117 0.234 0.000 1.117 186 I CA 0.684 62.113 61.300 0.214 0.000 1.404 186 I CB -0.872 37.250 38.000 0.203 0.000 1.071 186 I HN 0.266 nan 8.210 nan 0.000 0.419 187 W N 2.155 123.529 121.300 0.124 0.000 2.333 187 W HA -0.239 4.421 4.660 -0.000 0.000 0.316 187 W C 2.567 179.197 176.519 0.184 0.000 1.215 187 W CA 1.885 59.313 57.345 0.138 0.000 1.278 187 W CB -0.386 29.145 29.460 0.119 0.000 1.154 187 W HN 0.085 nan 8.180 nan 0.000 0.486 188 S N 1.332 117.289 115.700 0.428 0.000 2.365 188 S HA -0.240 4.230 4.470 -0.000 0.000 0.225 188 S C 1.737 176.449 174.600 0.186 0.000 1.039 188 S CA 1.717 60.132 58.200 0.357 0.000 1.033 188 S CB -0.832 62.535 63.200 0.277 0.000 0.887 188 S HN 0.138 nan 8.310 nan 0.000 0.447 189 L N 1.543 122.837 121.223 0.118 0.000 2.083 189 L HA -0.017 4.323 4.340 -0.000 0.000 0.209 189 L C 2.455 179.386 176.870 0.102 0.000 1.083 189 L CA 1.662 56.548 54.840 0.076 0.000 0.752 189 L CB -1.398 40.694 42.059 0.054 0.000 0.899 189 L HN 0.389 nan 8.230 nan 0.000 0.433 190 G N -1.964 106.865 108.800 0.048 0.000 2.402 190 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 190 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 190 G C 1.651 176.512 174.900 -0.064 0.000 1.162 190 G CA 0.922 46.025 45.100 0.005 0.000 0.777 190 G HN 0.475 nan 8.290 nan 0.000 0.539 191 C N 0.294 119.531 119.300 -0.105 0.000 2.435 191 C HA 0.115 4.575 4.460 -0.000 0.000 0.279 191 C C 2.794 177.833 174.990 0.083 0.000 1.321 191 C CA 0.225 59.195 59.018 -0.080 0.000 1.752 191 C CB -0.888 26.911 27.740 0.099 0.000 1.959 191 C HN 0.458 nan 8.230 nan 0.000 0.500 192 I N -0.008 120.673 120.570 0.184 0.000 2.286 192 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 192 I C 2.447 178.679 176.117 0.193 0.000 1.104 192 I CA 1.290 62.700 61.300 0.183 0.000 1.397 192 I CB -0.525 37.531 38.000 0.093 0.000 1.072 192 I HN 0.242 nan 8.210 nan 0.000 0.417 193 F N 2.377 122.329 119.950 0.003 0.000 2.069 193 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 193 F C 2.453 178.218 175.800 -0.057 0.000 1.113 193 F CA 1.468 59.466 58.000 -0.004 0.000 1.214 193 F CB -0.878 38.100 39.000 -0.036 0.000 0.978 193 F HN 0.026 nan 8.300 nan 0.000 0.474 194 A N -0.128 122.542 122.820 -0.251 0.000 1.902 194 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 194 A C 2.297 179.723 177.584 -0.263 0.000 1.181 194 A CA 1.697 53.474 52.037 -0.433 0.000 0.623 194 A CB -1.075 17.634 19.000 -0.486 0.000 0.818 194 A HN 0.569 nan 8.150 nan 0.000 0.443 195 E N -0.702 119.417 120.200 -0.136 0.000 2.077 195 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 195 E C 2.073 178.659 176.600 -0.024 0.000 0.989 195 E CA 1.359 57.717 56.400 -0.070 0.000 0.800 195 E CB -0.182 29.546 29.700 0.046 0.000 0.746 195 E HN 0.664 nan 8.360 nan 0.000 0.452 196 M N -0.141 119.485 119.600 0.043 0.000 2.086 196 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 196 M C 2.338 178.654 176.300 0.027 0.000 1.067 196 M CA 1.051 56.403 55.300 0.087 0.000 1.116 196 M CB -0.074 32.653 32.600 0.213 0.000 1.348 196 M HN 0.089 nan 8.290 nan 0.000 0.407 197 V N 0.237 120.133 119.914 -0.030 0.000 2.295 197 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 197 V C 2.556 178.584 176.094 -0.110 0.000 1.049 197 V CA 2.366 64.616 62.300 -0.084 0.000 1.024 197 V CB -1.154 30.530 31.823 -0.231 0.000 0.648 197 V HN 0.650 nan 8.190 nan 0.000 0.447 198 T N -3.459 111.005 114.554 -0.150 0.000 3.051 198 T HA 0.055 4.405 4.350 -0.000 0.000 0.255 198 T C 1.156 175.787 174.700 -0.115 0.000 1.085 198 T CA 0.438 62.447 62.100 -0.150 0.000 1.109 198 T CB 0.010 68.754 68.868 -0.208 0.000 0.921 198 T HN 0.491 nan 8.240 nan 0.000 0.488 199 R N 0.343 120.786 120.500 -0.094 0.000 3.854 199 R HA -0.125 4.215 4.340 -0.000 0.000 0.430 199 R C -0.427 175.827 176.300 -0.077 0.000 1.068 199 R CA 1.068 57.125 56.100 -0.072 0.000 1.104 199 R CB -2.036 28.222 30.300 -0.070 0.000 1.729 199 R HN 0.750 nan 8.270 nan 0.000 0.533 200 R N -0.669 119.765 120.500 -0.111 0.000 2.698 200 R HA 0.779 5.119 4.340 -0.000 0.000 0.275 200 R C -0.546 175.641 176.300 -0.188 0.000 1.001 200 R CA -0.365 55.654 56.100 -0.136 0.000 0.896 200 R CB 1.472 31.673 30.300 -0.164 0.000 1.218 200 R HN 0.076 nan 8.270 nan 0.000 0.462 201 A N 2.339 125.028 122.820 -0.219 0.000 2.540 201 A HA 0.087 4.407 4.320 -0.000 0.000 0.239 201 A C 0.742 178.046 177.584 -0.466 0.000 1.061 201 A CA -0.454 51.389 52.037 -0.323 0.000 0.758 201 A CB 0.189 18.834 19.000 -0.592 0.000 0.991 201 A HN 0.817 nan 8.150 nan 0.000 0.502 202 L N 1.743 122.643 121.223 -0.539 0.000 2.072 202 L HA 0.198 4.538 4.340 -0.000 0.000 0.205 202 L C -0.053 176.275 176.870 -0.903 0.000 1.079 202 L CA 1.754 56.104 54.840 -0.818 0.000 0.752 202 L CB -0.182 41.218 42.059 -1.098 0.000 0.906 202 L HN 0.601 nan 8.230 nan 0.000 0.436 203 F N 0.982 120.692 119.950 -0.401 0.000 2.769 203 F HA 0.398 4.925 4.527 -0.000 0.000 0.358 203 F C -2.228 173.173 175.800 -0.665 0.000 1.285 203 F CA -2.693 55.076 58.000 -0.385 0.000 1.199 203 F CB 0.411 39.303 39.000 -0.181 0.000 1.558 203 F HN -0.029 nan 8.300 nan 0.000 0.583 204 P HA 0.179 nan 4.420 nan 0.000 0.225 204 P C 0.509 177.500 177.300 -0.515 0.000 1.830 204 P CA 0.213 62.410 63.100 -1.506 0.000 1.051 204 P CB 0.590 31.447 31.700 -1.406 0.000 1.929 205 G N 1.855 110.557 108.800 -0.163 0.000 2.483 205 G HA2 0.049 4.009 3.960 -0.000 0.000 0.248 205 G HA3 0.049 4.009 3.960 -0.000 0.000 0.248 205 G C 0.523 175.555 174.900 0.219 0.000 1.248 205 G CA -0.325 44.810 45.100 0.058 0.000 0.838 205 G HN 0.231 nan 8.290 nan 0.000 0.566 206 D N -0.736 119.724 120.400 0.100 0.000 2.327 206 D HA 0.064 4.704 4.640 -0.000 0.000 0.205 206 D C 1.366 177.693 176.300 0.046 0.000 0.989 206 D CA 1.192 55.248 54.000 0.094 0.000 0.873 206 D CB 0.532 41.361 40.800 0.048 0.000 0.955 206 D HN 0.477 nan 8.370 nan 0.000 0.515 207 S N -1.195 114.509 115.700 0.007 0.000 2.672 207 S HA 0.260 4.730 4.470 -0.000 0.000 0.271 207 S C 0.685 175.245 174.600 -0.067 0.000 1.171 207 S CA -0.798 57.383 58.200 -0.031 0.000 0.817 207 S CB 2.144 65.310 63.200 -0.057 0.000 1.150 207 S HN -0.180 nan 8.310 nan 0.000 0.478 208 E N -0.123 120.027 120.200 -0.084 0.000 2.058 208 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 208 E C 1.716 178.190 176.600 -0.209 0.000 0.997 208 E CA 1.549 57.881 56.400 -0.113 0.000 0.801 208 E CB -0.318 29.326 29.700 -0.094 0.000 0.746 208 E HN 0.547 nan 8.360 nan 0.000 0.450 209 I N 1.804 122.217 120.570 -0.262 0.000 2.226 209 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 209 I C 1.906 177.635 176.117 -0.646 0.000 1.100 209 I CA 1.660 62.665 61.300 -0.492 0.000 1.374 209 I CB -0.185 37.535 38.000 -0.467 0.000 1.057 209 I HN -0.024 nan 8.210 nan 0.000 0.413 210 D N -0.675 119.503 120.400 -0.370 0.000 2.178 210 D HA -0.259 4.381 4.640 -0.000 0.000 0.202 210 D C 2.133 178.316 176.300 -0.196 0.000 0.974 210 D CA 1.065 54.922 54.000 -0.238 0.000 0.841 210 D CB -0.078 40.659 40.800 -0.104 0.000 0.953 210 D HN 0.378 nan 8.370 nan 0.000 0.478 211 Q N 0.017 119.704 119.800 -0.188 0.000 2.050 211 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 211 Q C 2.173 177.997 176.000 -0.293 0.000 0.980 211 Q CA 1.305 57.012 55.803 -0.159 0.000 0.840 211 Q CB -0.466 28.221 28.738 -0.085 0.000 0.898 211 Q HN 0.406 nan 8.270 nan 0.000 0.424 212 L N -0.700 120.272 121.223 -0.418 0.000 2.017 212 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 212 L C 2.092 178.485 176.870 -0.795 0.000 1.073 212 L CA 0.923 55.334 54.840 -0.714 0.000 0.745 212 L CB -0.430 41.134 42.059 -0.824 0.000 0.894 212 L HN 0.268 nan 8.230 nan 0.000 0.432 213 F N 0.268 119.838 119.950 -0.634 0.000 2.171 213 F HA -0.158 4.369 4.527 -0.000 0.000 0.300 213 F C 2.703 178.216 175.800 -0.478 0.000 1.090 213 F CA 1.099 58.855 58.000 -0.405 0.000 1.293 213 F CB -0.906 38.018 39.000 -0.126 0.000 1.013 213 F HN 0.005 nan 8.300 nan 0.000 0.486 214 R N 0.004 120.395 120.500 -0.183 0.000 2.092 214 R HA -0.117 4.223 4.340 -0.000 0.000 0.231 214 R C 2.279 178.456 176.300 -0.206 0.000 1.119 214 R CA 1.317 57.308 56.100 -0.181 0.000 0.970 214 R CB -0.435 29.813 30.300 -0.086 0.000 0.864 214 R HN 0.259 nan 8.270 nan 0.000 0.440 215 I N -0.052 120.264 120.570 -0.423 0.000 2.163 215 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 215 I C 1.782 177.902 176.117 0.005 0.000 1.081 215 I CA 1.107 62.041 61.300 -0.610 0.000 1.353 215 I CB -0.301 37.347 38.000 -0.587 0.000 1.054 215 I HN 0.038 nan 8.210 nan 0.000 0.407 216 F N 1.115 121.060 119.950 -0.009 0.000 2.091 216 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 216 F C 2.702 178.494 175.800 -0.013 0.000 1.103 216 F CA 1.341 59.421 58.000 0.133 0.000 1.228 216 F CB -1.265 37.884 39.000 0.248 0.000 0.984 216 F HN 0.019 nan 8.300 nan 0.000 0.477 217 R N -0.512 119.837 120.500 -0.252 0.000 2.120 217 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 217 R C 2.000 178.204 176.300 -0.160 0.000 1.123 217 R CA 1.868 57.606 56.100 -0.603 0.000 0.975 217 R CB -0.235 29.507 30.300 -0.929 0.000 0.866 217 R HN 0.232 nan 8.270 nan 0.000 0.446 218 T N 0.114 114.671 114.554 0.005 0.000 2.901 218 T HA 0.076 4.426 4.350 -0.000 0.000 0.252 218 T C 1.476 176.288 174.700 0.187 0.000 1.035 218 T CA 0.626 62.787 62.100 0.101 0.000 1.142 218 T CB 0.170 69.186 68.868 0.247 0.000 0.869 218 T HN 0.134 nan 8.240 nan 0.000 0.442 219 L N 0.511 121.892 121.223 0.264 0.000 2.585 219 L HA 0.378 4.718 4.340 -0.000 0.000 0.226 219 L C 1.095 178.198 176.870 0.388 0.000 1.113 219 L CA -0.245 54.786 54.840 0.318 0.000 0.876 219 L CB -0.332 41.866 42.059 0.231 0.000 1.072 219 L HN 0.422 nan 8.230 nan 0.000 0.468 220 G N 0.262 109.274 108.800 0.353 0.000 2.785 220 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 220 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 220 G C -0.278 174.768 174.900 0.244 0.000 1.155 220 G CA -0.856 44.422 45.100 0.297 0.000 0.760 220 G HN -0.066 nan 8.290 nan 0.000 0.624 221 T N 4.954 119.547 114.554 0.065 0.000 2.834 221 T HA 0.487 4.837 4.350 -0.000 0.000 0.298 221 T C -1.249 173.242 174.700 -0.349 0.000 0.966 221 T CA 0.212 62.077 62.100 -0.392 0.000 1.141 221 T CB 1.197 69.843 68.868 -0.369 0.000 0.905 221 T HN 0.655 nan 8.240 nan 0.000 0.535 222 P HA 0.285 nan 4.420 nan 0.000 0.275 222 P C -0.975 176.211 177.300 -0.191 0.000 1.227 222 P CA -0.488 62.358 63.100 -0.424 0.000 0.781 222 P CB 0.899 32.177 31.700 -0.703 0.000 0.906 223 D N 0.266 120.611 120.400 -0.093 0.000 2.553 223 D HA 0.185 4.825 4.640 -0.000 0.000 0.249 223 D C 0.967 177.232 176.300 -0.058 0.000 1.062 223 D CA -0.655 53.298 54.000 -0.079 0.000 1.085 223 D CB 0.339 41.110 40.800 -0.049 0.000 1.350 223 D HN 0.121 nan 8.370 nan 0.000 0.575 224 E N -0.437 119.711 120.200 -0.086 0.000 2.209 224 E HA -0.087 4.263 4.350 -0.000 0.000 0.196 224 E C 2.018 178.625 176.600 0.012 0.000 0.993 224 E CA 0.663 57.023 56.400 -0.066 0.000 0.819 224 E CB -0.177 29.470 29.700 -0.088 0.000 0.745 224 E HN 0.367 nan 8.360 nan 0.000 0.477 225 V N 0.594 120.521 119.914 0.021 0.000 2.379 225 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 225 V C 2.472 178.624 176.094 0.097 0.000 1.044 225 V CA 1.147 63.476 62.300 0.049 0.000 1.036 225 V CB -0.328 31.515 31.823 0.034 0.000 0.664 225 V HN 0.065 nan 8.190 nan 0.000 0.453 226 V N -2.191 117.789 119.914 0.111 0.000 2.407 226 V HA -0.077 4.043 4.120 -0.000 0.000 0.245 226 V C 0.844 177.118 176.094 0.301 0.000 1.041 226 V CA 1.103 63.507 62.300 0.172 0.000 1.040 226 V CB -0.160 31.743 31.823 0.135 0.000 0.671 226 V HN 0.715 nan 8.190 nan 0.000 0.455 227 W N 1.977 123.293 121.300 0.027 0.000 2.387 227 W HA 0.477 5.137 4.660 -0.000 0.000 0.285 227 W C -3.196 173.318 176.519 -0.008 0.000 1.011 227 W CA -3.596 53.775 57.345 0.043 0.000 1.576 227 W CB 0.527 30.002 29.460 0.024 0.000 1.540 227 W HN 0.086 nan 8.180 nan 0.000 0.383 228 P HA 0.159 nan 4.420 nan 0.000 0.258 228 P C 0.894 178.189 177.300 -0.008 0.000 1.172 228 P CA 2.732 65.887 63.100 0.091 0.000 0.762 228 P CB 0.578 32.346 31.700 0.112 0.000 0.764 229 G N 2.066 110.775 108.800 -0.152 0.000 2.213 229 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.236 229 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.236 229 G C 1.049 175.668 174.900 -0.468 0.000 0.991 229 G CA 0.131 45.088 45.100 -0.239 0.000 0.629 229 G HN 0.500 nan 8.290 nan 0.000 0.517 230 V N 1.979 121.468 119.914 -0.709 0.000 2.332 230 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 230 V C 3.061 178.654 176.094 -0.834 0.000 1.055 230 V CA 4.040 65.751 62.300 -0.982 0.000 1.038 230 V CB -0.598 30.641 31.823 -0.974 0.000 0.651 230 V HN 1.151 nan 8.190 nan 0.000 0.450 231 T N -3.389 110.624 114.554 -0.901 0.000 3.098 231 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 231 T C 1.595 175.895 174.700 -0.667 0.000 1.145 231 T CA 1.381 62.696 62.100 -1.309 0.000 1.092 231 T CB -0.195 68.159 68.868 -0.857 0.000 0.908 231 T HN 0.467 nan 8.240 nan 0.000 0.526 232 S N 0.477 115.920 115.700 -0.428 0.000 2.535 232 S HA 0.398 4.868 4.470 -0.000 0.000 0.214 232 S C 0.676 175.174 174.600 -0.170 0.000 0.980 232 S CA -0.352 57.707 58.200 -0.235 0.000 0.907 232 S CB -0.258 62.831 63.200 -0.184 0.000 0.790 232 S HN 0.513 nan 8.310 nan 0.000 0.510 233 M N 2.101 121.580 119.600 -0.202 0.000 2.249 233 M HA 0.105 4.585 4.480 -0.000 0.000 0.340 233 M C -1.604 174.681 176.300 -0.026 0.000 1.166 233 M CA -1.494 53.737 55.300 -0.115 0.000 1.115 233 M CB -0.062 32.445 32.600 -0.155 0.000 1.606 233 M HN -0.116 nan 8.290 nan 0.000 0.448 234 P HA -0.210 nan 4.420 nan 0.000 0.218 234 P C 0.145 177.449 177.300 0.007 0.000 1.154 234 P CA 1.477 64.566 63.100 -0.017 0.000 0.872 234 P CB 0.134 31.815 31.700 -0.031 0.000 0.790 235 D N -3.586 116.839 120.400 0.042 0.000 2.402 235 D HA 0.040 4.680 4.640 -0.000 0.000 0.216 235 D C 0.156 176.534 176.300 0.131 0.000 1.128 235 D CA -0.251 53.790 54.000 0.068 0.000 0.833 235 D CB -0.229 40.614 40.800 0.072 0.000 0.971 235 D HN 0.222 nan 8.370 nan 0.000 0.503 236 Y N 2.140 122.432 120.300 -0.013 0.000 2.346 236 Y HA 0.198 4.748 4.550 -0.000 0.000 0.330 236 Y C -0.083 175.533 175.900 -0.474 0.000 1.178 236 Y CA -0.049 58.002 58.100 -0.082 0.000 1.331 236 Y CB 0.603 39.011 38.460 -0.085 0.000 1.253 236 Y HN -0.376 nan 8.280 nan 0.000 0.529 237 K N 7.792 126.994 120.400 -1.997 0.000 2.397 237 K HA 0.241 4.561 4.320 -0.000 0.000 0.253 237 K C -2.177 173.646 176.600 -1.296 0.000 0.932 237 K CA -1.927 53.560 56.287 -1.334 0.000 0.795 237 K CB 2.153 33.992 32.500 -1.101 0.000 1.159 237 K HN 0.410 nan 8.250 nan 0.000 0.424 238 P HA -0.172 nan 4.420 nan 0.000 0.225 238 P C 0.805 177.988 177.300 -0.196 0.000 1.148 238 P CA 1.150 64.166 63.100 -0.139 0.000 0.779 238 P CB 0.254 31.938 31.700 -0.027 0.000 0.780 239 S N -2.025 113.518 115.700 -0.261 0.000 2.603 239 S HA 0.025 4.495 4.470 -0.000 0.000 0.220 239 S C 0.626 175.211 174.600 -0.025 0.000 0.967 239 S CA -0.507 57.618 58.200 -0.126 0.000 0.920 239 S CB -1.067 62.084 63.200 -0.082 0.000 0.773 239 S HN -0.190 nan 8.310 nan 0.000 0.529 240 F N 3.476 123.327 119.950 -0.165 0.000 2.572 240 F HA 0.385 4.912 4.527 -0.000 0.000 0.370 240 F C -1.990 173.632 175.800 -0.298 0.000 1.103 240 F CA -2.714 55.202 58.000 -0.139 0.000 1.286 240 F CB -0.669 38.245 39.000 -0.144 0.000 1.105 240 F HN 0.053 nan 8.300 nan 0.000 0.583 241 P HA 0.012 nan 4.420 nan 0.000 0.269 241 P C -0.601 176.312 177.300 -0.644 0.000 1.209 241 P CA -0.067 62.583 63.100 -0.750 0.000 0.776 241 P CB 0.486 31.228 31.700 -1.596 0.000 0.876 242 K N 3.016 123.101 120.400 -0.525 0.000 2.296 242 K HA 0.206 4.526 4.320 -0.000 0.000 0.257 242 K C -0.464 175.979 176.600 -0.260 0.000 1.088 242 K CA -0.056 56.053 56.287 -0.298 0.000 0.980 242 K CB 0.349 32.742 32.500 -0.179 0.000 1.430 242 K HN 0.518 nan 8.250 nan 0.000 0.441 243 W N 0.890 122.146 121.300 -0.074 0.000 2.381 243 W HA 0.387 5.047 4.660 -0.000 0.000 0.329 243 W C 0.500 177.019 176.519 -0.002 0.000 1.157 243 W CA -0.965 56.364 57.345 -0.027 0.000 1.240 243 W CB 1.231 30.694 29.460 0.005 0.000 1.199 243 W HN 0.380 nan 8.180 nan 0.000 0.579 244 A N 3.131 126.110 122.820 0.266 0.000 2.302 244 A HA 0.456 4.776 4.320 -0.000 0.000 0.285 244 A C 0.166 177.858 177.584 0.179 0.000 1.105 244 A CA -0.730 51.408 52.037 0.168 0.000 0.816 244 A CB 0.491 19.561 19.000 0.118 0.000 1.067 244 A HN 0.660 nan 8.150 nan 0.000 0.489 245 R N 1.484 122.076 120.500 0.153 0.000 2.421 245 R HA 0.075 4.415 4.340 -0.000 0.000 0.305 245 R C -0.335 176.045 176.300 0.133 0.000 1.039 245 R CA -0.229 55.968 56.100 0.162 0.000 1.003 245 R CB 0.247 30.638 30.300 0.152 0.000 0.959 245 R HN 0.742 nan 8.270 nan 0.000 0.427 246 Q N 2.129 122.003 119.800 0.123 0.000 2.421 246 Q HA -0.036 4.304 4.340 -0.000 0.000 0.255 246 Q C -0.602 175.465 176.000 0.112 0.000 1.013 246 Q CA 0.204 56.056 55.803 0.081 0.000 0.895 246 Q CB 0.634 29.387 28.738 0.026 0.000 1.271 246 Q HN 0.577 nan 8.270 nan 0.000 0.460 247 D N 0.272 120.717 120.400 0.076 0.000 2.417 247 D HA -0.037 4.603 4.640 -0.000 0.000 0.250 247 D C 0.345 176.714 176.300 0.114 0.000 1.166 247 D CA 0.084 54.142 54.000 0.097 0.000 0.881 247 D CB 0.239 41.070 40.800 0.051 0.000 1.164 247 D HN 0.328 nan 8.370 nan 0.000 0.467 248 F N 2.100 122.025 119.950 -0.041 0.000 2.202 248 F HA -0.173 4.354 4.527 -0.000 0.000 0.301 248 F C 2.597 178.346 175.800 -0.086 0.000 1.082 248 F CA 1.500 59.457 58.000 -0.071 0.000 1.313 248 F CB -0.312 38.644 39.000 -0.074 0.000 1.024 248 F HN 0.497 nan 8.300 nan 0.000 0.495 249 S N -1.183 114.561 115.700 0.074 0.000 2.507 249 S HA -0.118 4.352 4.470 -0.000 0.000 0.235 249 S C 1.679 176.239 174.600 -0.066 0.000 0.988 249 S CA 0.721 58.919 58.200 -0.003 0.000 0.944 249 S CB -0.396 62.814 63.200 0.017 0.000 0.762 249 S HN 0.420 nan 8.310 nan 0.000 0.526 250 K N 0.237 120.587 120.400 -0.082 0.000 2.352 250 K HA 0.276 4.596 4.320 -0.000 0.000 0.194 250 K C 1.467 177.961 176.600 -0.176 0.000 1.038 250 K CA 0.334 56.558 56.287 -0.104 0.000 1.023 250 K CB 0.272 32.731 32.500 -0.068 0.000 0.840 250 K HN 0.232 nan 8.250 nan 0.000 0.519 251 V N 1.000 120.751 119.914 -0.272 0.000 2.379 251 V HA -0.072 4.048 4.120 -0.000 0.000 0.243 251 V C 1.093 176.935 176.094 -0.419 0.000 1.035 251 V CA 0.957 63.017 62.300 -0.401 0.000 1.035 251 V CB 0.523 31.953 31.823 -0.655 0.000 0.673 251 V HN 0.108 nan 8.190 nan 0.000 0.457 252 V N -2.938 116.725 119.914 -0.418 0.000 2.361 252 V HA 0.427 4.547 4.120 -0.000 0.000 0.252 252 V C -1.886 174.074 176.094 -0.225 0.000 0.986 252 V CA -1.542 60.545 62.300 -0.356 0.000 1.033 252 V CB 0.316 31.867 31.823 -0.453 0.000 1.282 252 V HN 0.216 nan 8.190 nan 0.000 0.514 253 P HA -0.108 nan 4.420 nan 0.000 0.216 253 P C -0.883 176.368 177.300 -0.082 0.000 1.154 253 P CA 2.106 65.140 63.100 -0.110 0.000 0.865 253 P CB -0.801 30.838 31.700 -0.101 0.000 0.789 254 P HA 0.001 nan 4.420 nan 0.000 0.233 254 P C 0.290 177.572 177.300 -0.029 0.000 1.167 254 P CA 0.542 63.611 63.100 -0.052 0.000 0.770 254 P CB 0.033 31.702 31.700 -0.052 0.000 0.837 255 L N 2.387 123.576 121.223 -0.057 0.000 2.417 255 L HA 0.158 4.498 4.340 -0.000 0.000 0.268 255 L C 0.926 177.808 176.870 0.020 0.000 1.158 255 L CA -0.074 54.754 54.840 -0.020 0.000 0.819 255 L CB 0.200 42.191 42.059 -0.113 0.000 1.112 255 L HN 0.015 nan 8.230 nan 0.000 0.458 256 D N 1.824 122.269 120.400 0.076 0.000 2.478 256 D HA 0.021 4.661 4.640 -0.000 0.000 0.269 256 D C 0.652 176.999 176.300 0.079 0.000 1.232 256 D CA -0.437 53.611 54.000 0.080 0.000 1.059 256 D CB 0.395 41.261 40.800 0.111 0.000 1.104 256 D HN 0.645 nan 8.370 nan 0.000 0.566 257 E N -0.330 119.917 120.200 0.079 0.000 2.038 257 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 257 E C 1.148 177.812 176.600 0.107 0.000 1.000 257 E CA 1.580 58.025 56.400 0.076 0.000 0.803 257 E CB 0.012 29.751 29.700 0.065 0.000 0.750 257 E HN 0.344 nan 8.360 nan 0.000 0.448 258 D N -0.423 120.079 120.400 0.169 0.000 2.123 258 D HA -0.130 4.510 4.640 -0.000 0.000 0.196 258 D C 1.827 178.192 176.300 0.109 0.000 0.992 258 D CA 1.372 55.542 54.000 0.284 0.000 0.833 258 D CB -0.735 40.291 40.800 0.377 0.000 0.954 258 D HN 0.391 nan 8.370 nan 0.000 0.455 259 G N 0.707 109.527 108.800 0.033 0.000 2.421 259 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 259 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 259 G C 1.715 176.489 174.900 -0.210 0.000 1.171 259 G CA 0.411 45.291 45.100 -0.366 0.000 0.775 259 G HN 0.214 nan 8.290 nan 0.000 0.543 260 R N 0.285 120.755 120.500 -0.050 0.000 2.081 260 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 260 R C 2.938 179.214 176.300 -0.039 0.000 1.131 260 R CA 1.420 57.553 56.100 0.055 0.000 0.960 260 R CB -0.555 29.814 30.300 0.116 0.000 0.856 260 R HN 0.436 nan 8.270 nan 0.000 0.436 261 S N 1.135 116.816 115.700 -0.031 0.000 2.353 261 S HA -0.156 4.314 4.470 -0.000 0.000 0.222 261 S C 1.966 176.527 174.600 -0.065 0.000 1.035 261 S CA 1.233 59.434 58.200 0.003 0.000 1.025 261 S CB -0.226 63.093 63.200 0.197 0.000 0.902 261 S HN 0.237 nan 8.310 nan 0.000 0.440 262 L N 1.303 122.340 121.223 -0.310 0.000 2.012 262 L HA 0.042 4.382 4.340 -0.000 0.000 0.210 262 L C 2.253 179.035 176.870 -0.147 0.000 1.073 262 L CA 1.915 56.462 54.840 -0.487 0.000 0.748 262 L CB -1.037 40.477 42.059 -0.909 0.000 0.891 262 L HN 0.494 nan 8.230 nan 0.000 0.431 263 L N -0.566 120.634 121.223 -0.038 0.000 2.046 263 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 263 L C 2.751 179.643 176.870 0.036 0.000 1.077 263 L CA 2.175 57.066 54.840 0.085 0.000 0.747 263 L CB -0.972 41.124 42.059 0.061 0.000 0.896 263 L HN 0.591 nan 8.230 nan 0.000 0.432 264 S N -1.428 114.191 115.700 -0.136 0.000 2.399 264 S HA -0.261 4.209 4.470 -0.000 0.000 0.231 264 S C 1.857 176.378 174.600 -0.131 0.000 1.022 264 S CA 1.314 59.288 58.200 -0.376 0.000 0.983 264 S CB -0.725 62.011 63.200 -0.774 0.000 0.803 264 S HN 0.695 nan 8.310 nan 0.000 0.480 265 Q N 0.253 120.030 119.800 -0.039 0.000 2.230 265 Q HA 0.179 4.519 4.340 -0.000 0.000 0.202 265 Q C 2.088 178.146 176.000 0.097 0.000 0.963 265 Q CA 1.116 56.962 55.803 0.073 0.000 0.866 265 Q CB -0.317 28.478 28.738 0.095 0.000 0.931 265 Q HN 0.639 nan 8.270 nan 0.000 0.452 266 M N -0.160 119.474 119.600 0.056 0.000 2.492 266 M HA -0.009 4.470 4.480 -0.000 0.000 0.262 266 M C 0.977 177.306 176.300 0.049 0.000 1.090 266 M CA 0.899 56.241 55.300 0.070 0.000 1.110 266 M CB 0.423 33.055 32.600 0.054 0.000 1.407 266 M HN 0.121 nan 8.290 nan 0.000 0.470 267 L N -0.955 120.265 121.223 -0.006 0.000 2.965 267 L HA 0.196 4.536 4.340 -0.000 0.000 0.254 267 L C 0.462 177.397 176.870 0.109 0.000 1.220 267 L CA -0.430 54.356 54.840 -0.090 0.000 1.023 267 L CB -0.419 41.491 42.059 -0.247 0.000 1.355 267 L HN 0.179 nan 8.230 nan 0.000 0.545 268 H N -0.252 118.852 119.070 0.058 0.000 2.928 268 H HA -0.055 4.501 4.556 -0.000 0.000 0.338 268 H C 0.456 175.786 175.328 0.003 0.000 1.047 268 H CA 0.769 56.831 56.048 0.023 0.000 1.435 268 H CB 0.931 30.702 29.762 0.015 0.000 1.428 268 H HN 0.084 nan 8.280 nan 0.000 0.590 269 Y N 1.584 121.931 120.300 0.079 0.000 2.145 269 Y HA -0.185 4.365 4.550 -0.000 0.000 0.286 269 Y C 1.456 176.835 175.900 -0.868 0.000 1.145 269 Y CA 1.521 59.466 58.100 -0.258 0.000 1.148 269 Y CB -0.037 38.362 38.460 -0.101 0.000 0.981 269 Y HN 0.595 nan 8.280 nan 0.000 0.507 270 D N 1.500 121.692 120.400 -0.347 0.000 2.349 270 D HA -0.007 4.633 4.640 -0.000 0.000 0.266 270 D C -1.696 174.403 176.300 -0.335 0.000 1.293 270 D CA -1.652 51.983 54.000 -0.608 0.000 0.926 270 D CB 1.018 41.737 40.800 -0.135 0.000 1.090 270 D HN 0.106 nan 8.370 nan 0.000 0.502 271 P HA -0.169 nan 4.420 nan 0.000 0.217 271 P C 0.832 178.089 177.300 -0.071 0.000 1.148 271 P CA 0.864 63.890 63.100 -0.123 0.000 0.828 271 P CB 0.411 32.080 31.700 -0.053 0.000 0.783 272 N N -0.242 118.424 118.700 -0.056 0.000 2.381 272 N HA -0.092 4.648 4.740 -0.000 0.000 0.182 272 N C 1.489 176.942 175.510 -0.095 0.000 1.025 272 N CA 0.944 53.971 53.050 -0.039 0.000 0.888 272 N CB -0.165 38.323 38.487 0.002 0.000 0.965 272 N HN 0.218 nan 8.380 nan 0.000 0.438 273 K N 0.725 121.004 120.400 -0.201 0.000 2.352 273 K HA 0.087 4.407 4.320 -0.000 0.000 0.194 273 K C 0.641 177.034 176.600 -0.345 0.000 1.038 273 K CA -0.157 55.903 56.287 -0.380 0.000 1.023 273 K CB 0.371 32.394 32.500 -0.796 0.000 0.840 273 K HN 0.127 nan 8.250 nan 0.000 0.519 274 R N 1.791 122.192 120.500 -0.164 0.000 2.522 274 R HA 0.065 4.405 4.340 -0.000 0.000 0.284 274 R C 0.233 176.550 176.300 0.028 0.000 1.032 274 R CA -0.026 56.078 56.100 0.008 0.000 1.049 274 R CB 0.098 30.450 30.300 0.087 0.000 0.956 274 R HN 0.062 nan 8.270 nan 0.000 0.422 275 I N 3.434 124.045 120.570 0.069 0.000 2.872 275 I HA -0.119 4.051 4.170 -0.000 0.000 0.291 275 I C 0.365 176.544 176.117 0.104 0.000 1.216 275 I CA 0.650 62.002 61.300 0.086 0.000 1.424 275 I CB 0.670 38.739 38.000 0.115 0.000 1.351 275 I HN 0.829 nan 8.210 nan 0.000 0.592 276 S N 5.692 121.456 115.700 0.107 0.000 2.652 276 S HA 0.455 4.925 4.470 -0.000 0.000 0.270 276 S C 0.948 175.633 174.600 0.142 0.000 1.243 276 S CA -0.221 58.057 58.200 0.130 0.000 0.999 276 S CB 1.718 64.989 63.200 0.118 0.000 0.973 276 S HN 0.793 nan 8.310 nan 0.000 0.544 277 A N 1.544 124.458 122.820 0.157 0.000 1.902 277 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 277 A C 2.157 179.793 177.584 0.085 0.000 1.181 277 A CA 1.738 53.835 52.037 0.100 0.000 0.623 277 A CB -0.965 18.062 19.000 0.044 0.000 0.818 277 A HN 0.949 nan 8.150 nan 0.000 0.443 278 K N -0.281 120.178 120.400 0.099 0.000 2.020 278 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 278 K C 2.138 178.803 176.600 0.107 0.000 1.050 278 K CA 1.538 57.878 56.287 0.088 0.000 0.929 278 K CB -0.355 32.201 32.500 0.093 0.000 0.714 278 K HN 0.375 nan 8.250 nan 0.000 0.443 279 A N 0.733 123.626 122.820 0.121 0.000 1.969 279 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 279 A C 2.253 179.957 177.584 0.199 0.000 1.169 279 A CA 1.590 53.711 52.037 0.140 0.000 0.635 279 A CB -0.566 18.506 19.000 0.121 0.000 0.810 279 A HN 0.501 nan 8.150 nan 0.000 0.445 280 A N -0.041 122.903 122.820 0.207 0.000 1.933 280 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 280 A C 2.043 179.884 177.584 0.429 0.000 1.175 280 A CA 1.437 53.653 52.037 0.297 0.000 0.628 280 A CB -0.598 18.543 19.000 0.236 0.000 0.814 280 A HN 0.475 nan 8.150 nan 0.000 0.444 281 L N -1.083 120.294 121.223 0.257 0.000 2.353 281 L HA -0.148 4.192 4.340 -0.000 0.000 0.220 281 L C 2.638 179.721 176.870 0.355 0.000 1.133 281 L CA 0.806 55.777 54.840 0.218 0.000 0.798 281 L CB -0.249 41.831 42.059 0.034 0.000 0.922 281 L HN 0.447 nan 8.230 nan 0.000 0.445 282 A N -2.469 120.537 122.820 0.310 0.000 2.238 282 A HA -0.027 4.293 4.320 -0.000 0.000 0.210 282 A C 0.952 178.706 177.584 0.283 0.000 1.179 282 A CA -0.177 52.013 52.037 0.255 0.000 0.827 282 A CB -0.429 18.670 19.000 0.165 0.000 0.856 282 A HN 0.285 nan 8.150 nan 0.000 0.488 283 H N 1.501 120.751 119.070 0.299 0.000 2.897 283 H HA 0.052 4.608 4.556 -0.000 0.000 0.347 283 H C -1.476 173.980 175.328 0.212 0.000 1.068 283 H CA -0.743 55.445 56.048 0.232 0.000 1.426 283 H CB 1.191 31.085 29.762 0.220 0.000 1.410 283 H HN 0.113 nan 8.280 nan 0.000 0.597 284 P HA -0.183 nan 4.420 nan 0.000 0.225 284 P C 1.548 178.975 177.300 0.212 0.000 1.148 284 P CA 0.735 63.891 63.100 0.093 0.000 0.779 284 P CB -0.210 31.468 31.700 -0.036 0.000 0.780 285 F N 0.800 120.897 119.950 0.244 0.000 2.202 285 F HA -0.134 4.393 4.527 -0.000 0.000 0.301 285 F C 1.401 177.042 175.800 -0.264 0.000 1.082 285 F CA 1.310 59.242 58.000 -0.113 0.000 1.313 285 F CB -0.745 37.985 39.000 -0.450 0.000 1.024 285 F HN -0.266 nan 8.300 nan 0.000 0.495 286 F N 0.282 120.271 119.950 0.066 0.000 2.731 286 F HA 0.119 4.646 4.527 -0.000 0.000 0.304 286 F C 2.066 177.743 175.800 -0.205 0.000 1.133 286 F CA 0.057 57.951 58.000 -0.177 0.000 1.380 286 F CB -1.110 37.871 39.000 -0.033 0.000 1.079 286 F HN 0.010 nan 8.300 nan 0.000 0.550 287 Q N 1.821 121.619 119.800 -0.002 0.000 2.062 287 Q HA -0.255 4.085 4.340 -0.000 0.000 0.209 287 Q C 0.926 176.879 176.000 -0.079 0.000 0.996 287 Q CA 2.458 58.248 55.803 -0.022 0.000 0.859 287 Q CB -0.320 28.405 28.738 -0.021 0.000 0.920 287 Q HN 0.532 nan 8.270 nan 0.000 0.415 288 D N -1.533 118.790 120.400 -0.129 0.000 2.525 288 D HA 0.128 4.768 4.640 -0.000 0.000 0.229 288 D C -0.291 175.904 176.300 -0.175 0.000 1.202 288 D CA -0.331 53.590 54.000 -0.133 0.000 0.828 288 D CB 0.062 40.794 40.800 -0.114 0.000 1.008 288 D HN 0.101 nan 8.370 nan 0.000 0.493 289 V N 1.332 121.104 119.914 -0.238 0.000 2.694 289 V HA 0.274 4.394 4.120 -0.000 0.000 0.306 289 V C 0.484 176.450 176.094 -0.213 0.000 1.054 289 V CA 0.987 63.121 62.300 -0.278 0.000 1.161 289 V CB 0.705 32.205 31.823 -0.539 0.000 0.916 289 V HN 0.645 nan 8.190 nan 0.000 0.490 290 T N 3.340 117.809 114.554 -0.141 0.000 2.742 290 T HA 0.485 4.835 4.350 -0.000 0.000 0.282 290 T C -0.488 174.183 174.700 -0.047 0.000 1.025 290 T CA -0.855 61.194 62.100 -0.085 0.000 1.020 290 T CB 1.612 70.440 68.868 -0.068 0.000 1.317 290 T HN 0.647 nan 8.240 nan 0.000 0.538 291 K N 1.921 122.307 120.400 -0.022 0.000 2.606 291 K HA 0.419 4.739 4.320 -0.000 0.000 0.196 291 K C -2.582 174.010 176.600 -0.014 0.000 1.048 291 K CA -1.749 54.539 56.287 0.002 0.000 1.017 291 K CB 0.243 32.760 32.500 0.028 0.000 1.413 291 K HN 0.418 nan 8.250 nan 0.000 0.568 292 P HA 0.024 nan 4.420 nan 0.000 0.274 292 P C -0.770 176.506 177.300 -0.040 0.000 1.246 292 P CA -0.696 62.378 63.100 -0.044 0.000 0.795 292 P CB 0.797 32.459 31.700 -0.063 0.000 1.006 293 V N -1.569 118.332 119.914 -0.023 0.000 2.483 293 V HA 0.656 4.776 4.120 -0.000 0.000 0.295 293 V C -2.224 173.870 176.094 0.000 0.000 1.035 293 V CA -2.152 60.142 62.300 -0.011 0.000 0.896 293 V CB 0.928 32.750 31.823 -0.003 0.000 0.986 293 V HN 0.482 nan 8.190 nan 0.000 0.447 294 P HA 0.207 nan 4.420 nan 0.000 0.274 294 P C -0.788 176.617 177.300 0.175 0.000 1.246 294 P CA -0.235 62.895 63.100 0.049 0.000 0.795 294 P CB 0.505 32.070 31.700 -0.224 0.000 1.006 295 H N 1.686 120.882 119.070 0.210 0.000 2.908 295 H HA 0.317 4.873 4.556 -0.000 0.000 0.269 295 H C -0.510 174.960 175.328 0.236 0.000 1.303 295 H CA -0.617 55.533 56.048 0.170 0.000 1.341 295 H CB -0.289 29.564 29.762 0.152 0.000 1.519 295 H HN 0.216 nan 8.280 nan 0.000 0.505 296 L N 6.585 127.968 121.223 0.267 0.000 2.268 296 L HA 0.289 4.629 4.340 -0.000 0.000 0.289 296 L C 0.253 177.190 176.870 0.111 0.000 1.064 296 L CA -0.401 54.521 54.840 0.137 0.000 0.824 296 L CB 0.605 42.681 42.059 0.028 0.000 1.202 296 L HN 0.601 nan 8.230 nan 0.000 0.433 297 R N 5.011 125.505 120.500 -0.010 0.000 2.288 297 R HA 0.540 4.880 4.340 -0.000 0.000 0.330 297 R C -0.634 175.694 176.300 0.047 0.000 1.069 297 R CA 0.029 56.125 56.100 -0.007 0.000 0.941 297 R CB 0.421 30.648 30.300 -0.121 0.000 0.998 297 R HN 0.528 nan 8.270 nan 0.000 0.452 298 L N 0.000 121.265 121.223 0.070 0.000 2.949 298 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 298 L CA 0.000 54.885 54.840 0.075 0.000 0.813 298 L CB 0.000 42.114 42.059 0.091 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502