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 3mkh_1_A DATA FIRST_RESID 2 DATA SEQUENCE AIDFHLSASQ KGTYQAARSL ARNLLMPARQ TYLQHPPNSP LRFQSTQPTY DATA SEQUENCE AAAVSAGILK GQISPAHGGT GGTLIESAIL VEECYSVEPS AALTIFATGL DATA SEQUENCE GLTPINLAAG PQHAEFLAPF LSGEGSPLAS LVFSEPGGVA NALEKGAPGF DATA SEQUENCE QTTARLEGDE WVINGEKMWA TNCAGWDFKG CDLACVVCRD ATTPLEEGQD DATA SEQUENCE PENKVMIILV TRADLDRNGE GSFEVLRHVA TPGHTSVSGP HVRYTNVRVP DATA SEQUENCE TKNVLCPAGQ GAKVAFGAFD GSAVLVGAMG VGLMRAAFDA ALKFAKEDNR DATA SEQUENCE GGAVPLLERQ AFADLLSGVK IQTEAARALT WKAAHAMENG PGDYDARREL DATA SEQUENCE ALAAKVFCSE AAVKACTDVI NAVGISAYDL QRPFSDLLNT AVVLPIFDGG DATA SEQUENCE NVGIRRRHLQ QLMLKPTYDA WSSTYG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.538 177.584 -0.077 0.000 1.274 2 A CA 0.000 52.014 52.037 -0.039 0.000 0.836 2 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 3 I N 2.492 123.024 120.570 -0.064 0.000 2.664 3 I HA 0.164 4.334 4.170 -0.000 0.000 0.284 3 I C -0.085 175.979 176.117 -0.088 0.000 1.154 3 I CA 0.960 62.203 61.300 -0.095 0.000 1.402 3 I CB 0.227 38.227 38.000 0.000 0.000 1.395 3 I HN 0.572 nan 8.210 nan 0.000 0.545 4 D N 6.217 126.486 120.400 -0.218 0.000 2.890 4 D HA 0.270 4.910 4.640 -0.000 0.000 0.233 4 D C -0.381 175.765 176.300 -0.256 0.000 1.306 4 D CA -0.456 53.450 54.000 -0.156 0.000 0.929 4 D CB 1.109 41.830 40.800 -0.131 0.000 1.512 4 D HN 0.222 nan 8.370 nan 0.000 0.568 5 F N 0.985 120.892 119.950 -0.072 0.000 2.653 5 F HA 0.245 4.772 4.527 -0.000 0.000 0.304 5 F C 0.993 176.909 175.800 0.194 0.000 1.092 5 F CA -0.271 57.773 58.000 0.073 0.000 1.279 5 F CB 0.083 39.121 39.000 0.064 0.000 1.044 5 F HN 0.276 nan 8.300 nan 0.000 0.564 6 H N 0.769 119.937 119.070 0.163 0.000 2.610 6 H HA 0.264 4.820 4.556 -0.000 0.000 0.336 6 H C -0.261 175.099 175.328 0.053 0.000 1.087 6 H CA -1.062 55.051 56.048 0.108 0.000 1.405 6 H CB 1.047 30.850 29.762 0.068 0.000 1.460 6 H HN -0.158 nan 8.280 nan 0.000 0.538 7 L N 2.796 124.116 121.223 0.162 0.000 2.426 7 L HA 0.009 4.349 4.340 -0.000 0.000 0.271 7 L C 0.849 177.742 176.870 0.039 0.000 1.169 7 L CA 0.218 55.087 54.840 0.047 0.000 0.836 7 L CB 0.842 42.916 42.059 0.027 0.000 1.112 7 L HN 0.683 nan 8.230 nan 0.000 0.465 8 S N 1.847 117.552 115.700 0.008 0.000 2.617 8 S HA 0.391 4.861 4.470 -0.000 0.000 0.259 8 S C 1.331 175.939 174.600 0.014 0.000 1.301 8 S CA -0.153 58.054 58.200 0.011 0.000 0.984 8 S CB 0.716 63.913 63.200 -0.005 0.000 0.954 8 S HN 0.708 nan 8.310 nan 0.000 0.572 9 A N 0.908 123.737 122.820 0.016 0.000 1.940 9 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 9 A C 2.446 180.043 177.584 0.021 0.000 1.176 9 A CA 2.078 54.128 52.037 0.020 0.000 0.631 9 A CB -1.572 17.438 19.000 0.017 0.000 0.814 9 A HN 0.992 nan 8.150 nan 0.000 0.446 10 S N -0.942 114.765 115.700 0.011 0.000 2.402 10 S HA -0.191 4.279 4.470 -0.000 0.000 0.229 10 S C 2.060 176.665 174.600 0.009 0.000 1.021 10 S CA 1.605 59.810 58.200 0.008 0.000 0.974 10 S CB -0.316 62.883 63.200 -0.003 0.000 0.800 10 S HN 0.697 nan 8.310 nan 0.000 0.484 11 Q N 0.095 119.893 119.800 -0.003 0.000 2.137 11 Q HA 0.082 4.422 4.340 -0.000 0.000 0.198 11 Q C 2.222 178.252 176.000 0.050 0.000 0.960 11 Q CA 0.928 56.722 55.803 -0.014 0.000 0.847 11 Q CB -0.042 28.648 28.738 -0.079 0.000 0.915 11 Q HN 0.468 nan 8.270 nan 0.000 0.448 12 K N 0.203 120.642 120.400 0.064 0.000 2.097 12 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 12 K C 2.092 178.776 176.600 0.141 0.000 1.049 12 K CA 1.184 57.545 56.287 0.124 0.000 0.933 12 K CB -0.270 32.284 32.500 0.090 0.000 0.717 12 K HN 0.275 nan 8.250 nan 0.000 0.442 13 G N 0.459 109.309 108.800 0.083 0.000 2.418 13 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 13 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 13 G C 1.475 176.417 174.900 0.071 0.000 1.158 13 G CA 1.314 46.452 45.100 0.064 0.000 0.771 13 G HN 0.217 nan 8.290 nan 0.000 0.545 14 T N -0.053 114.548 114.554 0.078 0.000 2.708 14 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 14 T C 1.972 176.753 174.700 0.135 0.000 1.037 14 T CA 1.387 63.537 62.100 0.084 0.000 1.146 14 T CB -0.348 68.556 68.868 0.060 0.000 0.865 14 T HN 0.333 nan 8.240 nan 0.000 0.435 15 Y N 2.179 122.507 120.300 0.046 0.000 2.128 15 Y HA -0.193 4.357 4.550 -0.000 0.000 0.284 15 Y C 2.562 178.504 175.900 0.069 0.000 1.154 15 Y CA 1.373 59.517 58.100 0.073 0.000 1.149 15 Y CB -0.501 38.011 38.460 0.087 0.000 0.976 15 Y HN 0.086 nan 8.280 nan 0.000 0.505 16 Q N 0.069 119.844 119.800 -0.042 0.000 2.084 16 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 16 Q C 2.592 178.534 176.000 -0.096 0.000 0.978 16 Q CA 1.518 57.240 55.803 -0.135 0.000 0.844 16 Q CB -1.019 27.708 28.738 -0.018 0.000 0.898 16 Q HN 0.608 nan 8.270 nan 0.000 0.426 17 A N 1.106 123.911 122.820 -0.025 0.000 1.933 17 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 17 A C 2.339 179.920 177.584 -0.005 0.000 1.175 17 A CA 1.915 53.948 52.037 -0.006 0.000 0.628 17 A CB -0.658 18.355 19.000 0.021 0.000 0.814 17 A HN 0.362 nan 8.150 nan 0.000 0.444 18 A N -0.060 122.761 122.820 0.002 0.000 1.902 18 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 18 A C 2.232 179.807 177.584 -0.014 0.000 1.181 18 A CA 1.561 53.619 52.037 0.035 0.000 0.623 18 A CB -0.486 18.571 19.000 0.096 0.000 0.818 18 A HN 0.564 nan 8.150 nan 0.000 0.443 19 R N -0.726 119.696 120.500 -0.131 0.000 2.083 19 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 19 R C 2.652 178.914 176.300 -0.062 0.000 1.137 19 R CA 1.591 57.609 56.100 -0.137 0.000 0.951 19 R CB -0.492 29.646 30.300 -0.270 0.000 0.851 19 R HN 0.545 nan 8.270 nan 0.000 0.434 20 S N 0.787 116.453 115.700 -0.056 0.000 2.368 20 S HA -0.097 4.372 4.470 -0.000 0.000 0.224 20 S C 1.911 176.506 174.600 -0.008 0.000 1.029 20 S CA 0.877 59.060 58.200 -0.028 0.000 0.988 20 S CB -0.138 63.047 63.200 -0.024 0.000 0.838 20 S HN 0.235 nan 8.310 nan 0.000 0.462 21 L N 1.608 122.834 121.223 0.005 0.000 2.012 21 L HA 0.009 4.349 4.340 -0.000 0.000 0.210 21 L C 2.558 179.443 176.870 0.024 0.000 1.073 21 L CA 2.041 56.892 54.840 0.020 0.000 0.748 21 L CB -0.892 41.192 42.059 0.042 0.000 0.891 21 L HN 0.355 nan 8.230 nan 0.000 0.431 22 A N -0.317 122.524 122.820 0.035 0.000 1.877 22 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 22 A C 2.401 179.996 177.584 0.017 0.000 1.186 22 A CA 1.963 54.024 52.037 0.040 0.000 0.620 22 A CB -0.664 18.374 19.000 0.062 0.000 0.822 22 A HN 0.501 nan 8.150 nan 0.000 0.443 23 R N 0.188 120.691 120.500 0.006 0.000 2.092 23 R HA -0.064 4.276 4.340 -0.000 0.000 0.231 23 R C 1.539 177.835 176.300 -0.007 0.000 1.119 23 R CA 2.069 58.167 56.100 -0.004 0.000 0.970 23 R CB -0.427 29.868 30.300 -0.009 0.000 0.864 23 R HN 0.516 nan 8.270 nan 0.000 0.440 24 N N -0.740 117.957 118.700 -0.005 0.000 2.368 24 N HA -0.014 4.726 4.740 -0.000 0.000 0.176 24 N C 0.920 176.426 175.510 -0.007 0.000 1.021 24 N CA 0.888 53.933 53.050 -0.008 0.000 0.888 24 N CB 0.132 38.615 38.487 -0.007 0.000 0.995 24 N HN 0.165 nan 8.380 nan 0.000 0.437 25 L N 0.066 121.289 121.223 -0.001 0.000 2.433 25 L HA 0.265 4.605 4.340 -0.000 0.000 0.200 25 L C 2.071 178.946 176.870 0.010 0.000 1.059 25 L CA 0.638 55.480 54.840 0.003 0.000 0.835 25 L CB -0.872 41.189 42.059 0.004 0.000 1.076 25 L HN -0.007 nan 8.230 nan 0.000 0.481 26 L N -1.461 119.769 121.223 0.013 0.000 2.109 26 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 26 L C 2.479 179.348 176.870 -0.002 0.000 1.086 26 L CA 1.028 55.879 54.840 0.020 0.000 0.760 26 L CB -0.423 41.649 42.059 0.021 0.000 0.910 26 L HN 0.250 nan 8.230 nan 0.000 0.437 27 M N -0.237 119.352 119.600 -0.017 0.000 2.117 27 M HA -0.134 4.346 4.480 -0.000 0.000 0.262 27 M C -0.275 175.985 176.300 -0.067 0.000 1.065 27 M CA 2.075 57.349 55.300 -0.044 0.000 1.114 27 M CB -1.289 31.290 32.600 -0.036 0.000 1.361 27 M HN 0.092 nan 8.290 nan 0.000 0.408 28 P HA -0.054 nan 4.420 nan 0.000 0.218 28 P C 1.073 178.335 177.300 -0.064 0.000 1.149 28 P CA 1.616 64.683 63.100 -0.056 0.000 0.817 28 P CB -0.175 31.503 31.700 -0.035 0.000 0.785 29 A N 0.201 123.004 122.820 -0.028 0.000 1.908 29 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 29 A C 2.416 179.925 177.584 -0.126 0.000 1.181 29 A CA 2.152 54.201 52.037 0.021 0.000 0.627 29 A CB -1.166 17.906 19.000 0.120 0.000 0.818 29 A HN 0.050 nan 8.150 nan 0.000 0.445 30 R N -0.745 119.591 120.500 -0.273 0.000 2.073 30 R HA -0.138 4.201 4.340 -0.000 0.000 0.234 30 R C 2.158 178.082 176.300 -0.626 0.000 1.134 30 R CA 1.846 57.514 56.100 -0.720 0.000 0.952 30 R CB -0.373 29.698 30.300 -0.382 0.000 0.850 30 R HN 0.436 nan 8.270 nan 0.000 0.433 31 Q N -0.275 119.338 119.800 -0.311 0.000 2.226 31 Q HA -0.080 4.260 4.340 -0.000 0.000 0.204 31 Q C 1.966 177.852 176.000 -0.191 0.000 0.975 31 Q CA 1.941 57.613 55.803 -0.218 0.000 0.866 31 Q CB -0.316 28.341 28.738 -0.135 0.000 0.915 31 Q HN 0.415 nan 8.270 nan 0.000 0.440 32 T N 0.872 115.326 114.554 -0.167 0.000 2.732 32 T HA -0.138 4.212 4.350 -0.000 0.000 0.261 32 T C 1.690 176.375 174.700 -0.025 0.000 1.040 32 T CA 1.548 63.599 62.100 -0.082 0.000 1.145 32 T CB -0.411 68.445 68.868 -0.019 0.000 0.866 32 T HN 0.510 nan 8.240 nan 0.000 0.427 33 Y N 0.956 121.280 120.300 0.040 0.000 2.373 33 Y HA 0.196 4.745 4.550 -0.000 0.000 0.293 33 Y C 1.802 177.745 175.900 0.072 0.000 1.129 33 Y CA -0.004 58.164 58.100 0.113 0.000 1.226 33 Y CB -1.017 37.527 38.460 0.139 0.000 1.000 33 Y HN -0.002 nan 8.280 nan 0.000 0.549 34 L N 1.082 122.287 121.223 -0.030 0.000 2.349 34 L HA -0.167 4.172 4.340 -0.000 0.000 0.220 34 L C 2.111 178.973 176.870 -0.013 0.000 1.130 34 L CA 1.294 56.135 54.840 0.002 0.000 0.791 34 L CB -1.100 40.878 42.059 -0.135 0.000 0.918 34 L HN 0.439 nan 8.230 nan 0.000 0.444 35 Q N -1.300 118.441 119.800 -0.099 0.000 2.369 35 Q HA -0.048 4.292 4.340 -0.000 0.000 0.206 35 Q C 0.190 176.051 176.000 -0.232 0.000 0.963 35 Q CA 0.638 56.323 55.803 -0.197 0.000 0.894 35 Q CB -0.034 28.521 28.738 -0.306 0.000 0.965 35 Q HN 0.549 nan 8.270 nan 0.000 0.475 36 H N 0.224 119.343 119.070 0.081 0.000 2.525 36 H HA 0.330 4.886 4.556 -0.000 0.000 0.340 36 H C -2.073 173.302 175.328 0.079 0.000 1.168 36 H CA -2.493 53.602 56.048 0.078 0.000 1.247 36 H CB 0.519 30.339 29.762 0.096 0.000 1.568 36 H HN -0.131 nan 8.280 nan 0.000 0.536 37 P HA 0.002 nan 4.420 nan 0.000 0.267 37 P C -1.856 175.514 177.300 0.117 0.000 1.200 37 P CA -0.998 62.174 63.100 0.119 0.000 0.772 37 P CB 0.176 31.928 31.700 0.088 0.000 0.855 38 P HA -0.184 nan 4.420 nan 0.000 0.217 38 P C 0.645 177.985 177.300 0.066 0.000 1.148 38 P CA 1.646 64.796 63.100 0.084 0.000 0.828 38 P CB -0.250 31.486 31.700 0.060 0.000 0.783 39 N N -2.225 116.506 118.700 0.051 0.000 2.230 39 N HA 0.035 4.775 4.740 -0.000 0.000 0.202 39 N C 0.045 175.561 175.510 0.010 0.000 1.119 39 N CA -0.013 53.055 53.050 0.031 0.000 0.851 39 N CB -0.460 38.041 38.487 0.024 0.000 0.990 39 N HN -0.108 nan 8.380 nan 0.000 0.497 40 S N 1.456 117.170 115.700 0.024 0.000 2.528 40 S HA 0.284 4.754 4.470 -0.000 0.000 0.277 40 S C -1.562 173.017 174.600 -0.035 0.000 1.297 40 S CA -1.160 57.032 58.200 -0.013 0.000 1.052 40 S CB 0.982 64.192 63.200 0.017 0.000 0.917 40 S HN -0.049 nan 8.310 nan 0.000 0.492 41 P HA -0.043 nan 4.420 nan 0.000 0.223 41 P C 1.010 178.395 177.300 0.142 0.000 1.144 41 P CA 0.438 63.490 63.100 -0.081 0.000 0.783 41 P CB 0.110 31.474 31.700 -0.561 0.000 0.771 42 L N -0.988 120.219 121.223 -0.028 0.000 2.275 42 L HA -0.070 4.270 4.340 -0.000 0.000 0.215 42 L C 2.373 179.168 176.870 -0.126 0.000 1.119 42 L CA 1.461 56.182 54.840 -0.198 0.000 0.790 42 L CB -0.942 40.723 42.059 -0.656 0.000 0.919 42 L HN -0.054 nan 8.230 nan 0.000 0.443 43 R N -1.472 119.060 120.500 0.053 0.000 2.070 43 R HA -0.218 4.122 4.340 -0.000 0.000 0.233 43 R C 2.257 178.661 176.300 0.173 0.000 1.137 43 R CA 1.815 58.019 56.100 0.174 0.000 0.945 43 R CB -0.730 29.608 30.300 0.064 0.000 0.845 43 R HN 0.279 nan 8.270 nan 0.000 0.430 44 F N 2.319 122.306 119.950 0.061 0.000 2.065 44 F HA -0.265 4.262 4.527 -0.000 0.000 0.298 44 F C 2.265 178.216 175.800 0.253 0.000 1.112 44 F CA 1.716 59.804 58.000 0.147 0.000 1.212 44 F CB -0.446 38.660 39.000 0.176 0.000 0.975 44 F HN -0.012 nan 8.300 nan 0.000 0.476 45 Q N 0.044 119.825 119.800 -0.032 0.000 2.135 45 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 45 Q C 2.405 178.290 176.000 -0.192 0.000 0.981 45 Q CA 2.133 57.818 55.803 -0.197 0.000 0.856 45 Q CB -0.555 28.140 28.738 -0.072 0.000 0.902 45 Q HN 0.620 nan 8.270 nan 0.000 0.425 46 S N 0.164 115.842 115.700 -0.036 0.000 2.500 46 S HA -0.100 4.370 4.470 -0.000 0.000 0.239 46 S C 1.844 176.440 174.600 -0.006 0.000 0.989 46 S CA 1.304 59.525 58.200 0.036 0.000 0.951 46 S CB -0.481 62.874 63.200 0.258 0.000 0.759 46 S HN 0.481 nan 8.310 nan 0.000 0.523 47 T N -1.783 112.760 114.554 -0.018 0.000 3.129 47 T HA 0.183 4.532 4.350 -0.000 0.000 0.251 47 T C 1.542 176.134 174.700 -0.180 0.000 1.117 47 T CA 0.327 62.444 62.100 0.027 0.000 1.034 47 T CB -0.182 68.807 68.868 0.201 0.000 0.968 47 T HN 0.519 nan 8.240 nan 0.000 0.526 48 Q N 1.640 121.070 119.800 -0.617 0.000 2.050 48 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 48 Q C -0.700 175.002 176.000 -0.497 0.000 0.980 48 Q CA 1.562 56.666 55.803 -1.167 0.000 0.840 48 Q CB -0.794 26.961 28.738 -1.638 0.000 0.898 48 Q HN 0.421 nan 8.270 nan 0.000 0.424 49 P HA -0.149 nan 4.420 nan 0.000 0.215 49 P C 1.212 178.468 177.300 -0.074 0.000 1.153 49 P CA 2.340 65.339 63.100 -0.169 0.000 0.853 49 P CB -0.291 31.332 31.700 -0.128 0.000 0.788 50 T N -4.476 110.059 114.554 -0.032 0.000 2.951 50 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 50 T C 1.819 176.563 174.700 0.074 0.000 1.073 50 T CA 0.643 62.755 62.100 0.020 0.000 1.134 50 T CB -1.412 67.477 68.868 0.035 0.000 0.884 50 T HN 0.009 nan 8.240 nan 0.000 0.479 51 Y N 2.580 122.871 120.300 -0.014 0.000 2.181 51 Y HA 0.069 4.619 4.550 -0.000 0.000 0.288 51 Y C 2.749 178.673 175.900 0.040 0.000 1.146 51 Y CA 0.965 59.109 58.100 0.074 0.000 1.164 51 Y CB -0.847 37.752 38.460 0.231 0.000 0.982 51 Y HN 0.286 nan 8.280 nan 0.000 0.515 52 A N 0.272 123.201 122.820 0.182 0.000 1.972 52 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 52 A C 2.390 179.982 177.584 0.015 0.000 1.169 52 A CA 1.773 53.863 52.037 0.088 0.000 0.635 52 A CB -1.399 17.598 19.000 -0.005 0.000 0.810 52 A HN 0.594 nan 8.150 nan 0.000 0.446 53 A N -0.231 122.588 122.820 -0.002 0.000 1.930 53 A HA 0.219 4.539 4.320 -0.000 0.000 0.217 53 A C 2.462 180.031 177.584 -0.026 0.000 1.175 53 A CA 1.827 53.855 52.037 -0.014 0.000 0.627 53 A CB -0.870 18.121 19.000 -0.014 0.000 0.815 53 A HN 1.001 nan 8.150 nan 0.000 0.443 54 A N -0.542 122.246 122.820 -0.053 0.000 1.930 54 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 54 A C 2.203 179.734 177.584 -0.087 0.000 1.175 54 A CA 1.649 53.636 52.037 -0.083 0.000 0.627 54 A CB -0.824 18.086 19.000 -0.150 0.000 0.815 54 A HN 0.345 nan 8.150 nan 0.000 0.443 55 V N -0.441 119.409 119.914 -0.107 0.000 2.295 55 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 55 V C 2.803 178.894 176.094 -0.006 0.000 1.049 55 V CA 2.332 64.604 62.300 -0.047 0.000 1.024 55 V CB -0.737 31.092 31.823 0.009 0.000 0.648 55 V HN 0.655 nan 8.190 nan 0.000 0.447 56 S N -0.058 115.639 115.700 -0.005 0.000 2.419 56 S HA -0.126 4.344 4.470 -0.000 0.000 0.233 56 S C 1.909 176.511 174.600 0.002 0.000 1.016 56 S CA 1.313 59.514 58.200 0.001 0.000 0.974 56 S CB -0.297 62.901 63.200 -0.003 0.000 0.786 56 S HN 0.617 nan 8.310 nan 0.000 0.492 57 A N -0.231 122.587 122.820 -0.002 0.000 2.235 57 A HA 0.448 4.768 4.320 -0.000 0.000 0.208 57 A C 1.649 179.241 177.584 0.013 0.000 1.172 57 A CA 0.965 53.005 52.037 0.004 0.000 0.786 57 A CB -1.044 17.957 19.000 0.002 0.000 0.804 57 A HN 1.350 nan 8.150 nan 0.000 0.479 58 G N -0.914 107.896 108.800 0.016 0.000 2.141 58 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.231 58 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.231 58 G C 0.719 175.641 174.900 0.037 0.000 0.984 58 G CA 0.263 45.380 45.100 0.029 0.000 0.660 58 G HN 0.274 nan 8.290 nan 0.000 0.525 59 I N -0.109 120.477 120.570 0.026 0.000 2.286 59 I HA -0.070 4.100 4.170 -0.000 0.000 0.248 59 I C 2.722 178.878 176.117 0.065 0.000 1.115 59 I CA 1.186 62.511 61.300 0.042 0.000 1.392 59 I CB -0.912 37.097 38.000 0.016 0.000 1.065 59 I HN 0.232 nan 8.210 nan 0.000 0.418 60 L N 0.774 122.038 121.223 0.069 0.000 2.109 60 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 60 L C 2.428 179.372 176.870 0.123 0.000 1.086 60 L CA 1.560 56.477 54.840 0.130 0.000 0.760 60 L CB -0.966 41.219 42.059 0.211 0.000 0.910 60 L HN 0.202 nan 8.230 nan 0.000 0.437 61 K N -0.683 119.778 120.400 0.102 0.000 2.103 61 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 61 K C 1.949 178.591 176.600 0.069 0.000 1.048 61 K CA 1.302 57.642 56.287 0.088 0.000 0.930 61 K CB -0.630 31.911 32.500 0.069 0.000 0.716 61 K HN 0.439 nan 8.250 nan 0.000 0.444 62 G N 0.907 109.745 108.800 0.063 0.000 2.598 62 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.215 62 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.215 62 G C 1.092 176.021 174.900 0.049 0.000 1.131 62 G CA 0.152 45.283 45.100 0.052 0.000 0.785 62 G HN 0.337 nan 8.290 nan 0.000 0.539 63 Q N -0.669 119.165 119.800 0.058 0.000 2.360 63 Q HA 0.319 4.659 4.340 -0.000 0.000 0.202 63 Q C 0.138 176.149 176.000 0.018 0.000 0.915 63 Q CA -0.047 55.781 55.803 0.040 0.000 0.943 63 Q CB 0.731 29.503 28.738 0.056 0.000 1.064 63 Q HN 0.410 nan 8.270 nan 0.000 0.511 64 I N 1.020 121.612 120.570 0.036 0.000 2.412 64 I HA 0.138 4.308 4.170 -0.000 0.000 0.296 64 I C 0.314 176.468 176.117 0.062 0.000 0.987 64 I CA -0.825 60.502 61.300 0.044 0.000 1.180 64 I CB 1.809 39.849 38.000 0.066 0.000 1.340 64 I HN -0.026 nan 8.210 nan 0.000 0.455 65 S N 6.304 122.059 115.700 0.092 0.000 2.572 65 S HA 0.225 4.695 4.470 -0.000 0.000 0.279 65 S C -1.814 172.809 174.600 0.039 0.000 1.341 65 S CA -0.840 57.398 58.200 0.065 0.000 1.043 65 S CB 1.055 64.302 63.200 0.079 0.000 0.887 65 S HN 0.386 nan 8.310 nan 0.000 0.516 66 P HA -0.073 nan 4.420 nan 0.000 0.218 66 P C 1.401 178.660 177.300 -0.069 0.000 1.146 66 P CA 1.800 64.888 63.100 -0.021 0.000 0.813 66 P CB -0.196 31.487 31.700 -0.028 0.000 0.778 67 A N -1.141 121.589 122.820 -0.150 0.000 2.070 67 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 67 A C 1.169 178.476 177.584 -0.461 0.000 1.159 67 A CA 1.492 53.340 52.037 -0.314 0.000 0.656 67 A CB -1.457 17.296 19.000 -0.413 0.000 0.800 67 A HN 0.348 nan 8.150 nan 0.000 0.453 68 H N -2.212 116.863 119.070 0.009 0.000 2.486 68 H HA 0.414 4.970 4.556 -0.000 0.000 0.284 68 H C 1.310 176.657 175.328 0.030 0.000 1.103 68 H CA 0.371 56.433 56.048 0.023 0.000 1.089 68 H CB 0.429 30.205 29.762 0.023 0.000 1.603 68 H HN 0.519 nan 8.280 nan 0.000 0.557 69 G N 0.067 108.910 108.800 0.071 0.000 2.176 69 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.253 69 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.253 69 G C 0.783 175.723 174.900 0.066 0.000 0.979 69 G CA -0.063 45.075 45.100 0.063 0.000 0.641 69 G HN 0.719 nan 8.290 nan 0.000 0.530 70 G N -0.913 107.932 108.800 0.075 0.000 2.557 70 G HA2 0.599 4.559 3.960 -0.000 0.000 0.292 70 G HA3 0.599 4.559 3.960 -0.000 0.000 0.292 70 G C 0.891 175.816 174.900 0.042 0.000 1.237 70 G CA 0.944 46.084 45.100 0.067 0.000 0.978 70 G HN 1.210 nan 8.290 nan 0.000 0.498 71 T N -2.880 111.698 114.554 0.039 0.000 3.228 71 T HA 0.407 4.757 4.350 -0.000 0.000 0.278 71 T C 1.005 175.717 174.700 0.020 0.000 1.014 71 T CA 0.314 62.429 62.100 0.026 0.000 0.904 71 T CB 0.164 69.048 68.868 0.027 0.000 1.110 71 T HN 0.815 nan 8.240 nan 0.000 0.541 72 G N 0.381 109.194 108.800 0.022 0.000 2.224 72 G HA2 0.443 4.403 3.960 -0.000 0.000 0.239 72 G HA3 0.443 4.403 3.960 -0.000 0.000 0.239 72 G C 0.504 175.403 174.900 -0.002 0.000 1.240 72 G CA -0.070 45.037 45.100 0.012 0.000 0.896 72 G HN 0.598 nan 8.290 nan 0.000 0.496 73 G N 0.671 109.466 108.800 -0.008 0.000 2.782 73 G HA2 0.661 4.621 3.960 -0.000 0.000 0.201 73 G HA3 0.661 4.621 3.960 -0.000 0.000 0.201 73 G C 0.522 175.402 174.900 -0.033 0.000 1.374 73 G CA 0.259 45.347 45.100 -0.020 0.000 1.039 73 G HN 1.015 nan 8.290 nan 0.000 0.576 74 T N -1.450 113.076 114.554 -0.047 0.000 2.868 74 T HA 0.242 4.592 4.350 -0.000 0.000 0.292 74 T C 1.312 175.970 174.700 -0.069 0.000 1.028 74 T CA -0.551 61.512 62.100 -0.061 0.000 1.059 74 T CB 1.201 70.024 68.868 -0.075 0.000 0.991 74 T HN 0.160 nan 8.240 nan 0.000 0.531 75 L N 1.155 122.336 121.223 -0.070 0.000 2.131 75 L HA 0.040 4.380 4.340 -0.000 0.000 0.210 75 L C 2.390 179.202 176.870 -0.097 0.000 1.092 75 L CA 1.132 55.931 54.840 -0.068 0.000 0.759 75 L CB -1.086 40.943 42.059 -0.050 0.000 0.903 75 L HN 0.736 nan 8.230 nan 0.000 0.435 76 I N -0.540 119.946 120.570 -0.140 0.000 2.163 76 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 76 I C 2.349 178.303 176.117 -0.271 0.000 1.085 76 I CA 1.474 62.609 61.300 -0.276 0.000 1.347 76 I CB -0.603 37.192 38.000 -0.342 0.000 1.044 76 I HN 0.392 nan 8.210 nan 0.000 0.408 77 E N 0.283 120.379 120.200 -0.174 0.000 2.106 77 E HA -0.145 4.204 4.350 -0.000 0.000 0.192 77 E C 2.312 178.877 176.600 -0.059 0.000 0.984 77 E CA 1.292 57.627 56.400 -0.110 0.000 0.806 77 E CB 0.034 29.694 29.700 -0.068 0.000 0.750 77 E HN 0.316 nan 8.360 nan 0.000 0.458 78 S N 0.464 116.124 115.700 -0.067 0.000 2.368 78 S HA -0.187 4.282 4.470 -0.000 0.000 0.225 78 S C 2.067 176.626 174.600 -0.068 0.000 1.030 78 S CA 1.000 59.158 58.200 -0.069 0.000 0.999 78 S CB -0.178 62.969 63.200 -0.087 0.000 0.844 78 S HN 0.401 nan 8.310 nan 0.000 0.459 79 A N 1.157 123.950 122.820 -0.045 0.000 1.933 79 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 79 A C 2.037 179.704 177.584 0.138 0.000 1.175 79 A CA 1.044 53.107 52.037 0.043 0.000 0.628 79 A CB -0.620 18.445 19.000 0.108 0.000 0.814 79 A HN 0.489 nan 8.150 nan 0.000 0.444 80 I N -0.880 119.750 120.570 0.099 0.000 2.202 80 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 80 I C 2.441 178.688 176.117 0.217 0.000 1.091 80 I CA 1.276 62.697 61.300 0.203 0.000 1.368 80 I CB -0.272 37.801 38.000 0.122 0.000 1.058 80 I HN 0.427 nan 8.210 nan 0.000 0.410 81 L N 0.491 121.798 121.223 0.140 0.000 2.017 81 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 81 L C 2.389 179.383 176.870 0.208 0.000 1.073 81 L CA 1.847 56.786 54.840 0.166 0.000 0.745 81 L CB -0.524 41.611 42.059 0.126 0.000 0.894 81 L HN -0.024 nan 8.230 nan 0.000 0.432 82 V N 0.109 120.062 119.914 0.066 0.000 2.343 82 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 82 V C 2.625 178.863 176.094 0.239 0.000 1.051 82 V CA 2.015 64.330 62.300 0.026 0.000 1.036 82 V CB -0.756 30.878 31.823 -0.315 0.000 0.654 82 V HN 0.658 nan 8.190 nan 0.000 0.451 83 E N 0.279 120.607 120.200 0.214 0.000 2.058 83 E HA -0.320 4.030 4.350 -0.000 0.000 0.194 83 E C 2.199 178.979 176.600 0.299 0.000 0.997 83 E CA 1.815 58.367 56.400 0.253 0.000 0.801 83 E CB -0.084 29.765 29.700 0.248 0.000 0.746 83 E HN 0.621 nan 8.360 nan 0.000 0.450 84 E N 0.411 120.792 120.200 0.302 0.000 2.051 84 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 84 E C 2.051 178.809 176.600 0.263 0.000 0.991 84 E CA 1.815 58.379 56.400 0.274 0.000 0.799 84 E CB -0.642 29.202 29.700 0.240 0.000 0.748 84 E HN 0.377 nan 8.360 nan 0.000 0.449 85 C N -0.124 119.377 119.300 0.335 0.000 2.429 85 C HA -0.104 4.356 4.460 -0.000 0.000 0.277 85 C C 2.442 177.631 174.990 0.332 0.000 1.262 85 C CA 0.836 60.059 59.018 0.341 0.000 1.733 85 C CB -1.295 26.743 27.740 0.497 0.000 2.010 85 C HN 0.487 nan 8.230 nan 0.000 0.483 86 Y N 1.871 122.331 120.300 0.266 0.000 2.352 86 Y HA -0.140 4.410 4.550 -0.000 0.000 0.292 86 Y C 2.812 178.801 175.900 0.149 0.000 1.136 86 Y CA 1.627 59.858 58.100 0.218 0.000 1.227 86 Y CB -0.423 38.184 38.460 0.246 0.000 0.991 86 Y HN 0.467 nan 8.280 nan 0.000 0.545 87 S N -2.022 113.831 115.700 0.255 0.000 2.515 87 S HA -0.053 4.417 4.470 -0.000 0.000 0.231 87 S C 1.606 176.263 174.600 0.095 0.000 0.987 87 S CA 1.132 59.433 58.200 0.168 0.000 0.936 87 S CB -0.574 62.734 63.200 0.179 0.000 0.766 87 S HN 0.125 nan 8.310 nan 0.000 0.528 88 V N 0.275 120.236 119.914 0.078 0.000 2.854 88 V HA 0.378 4.498 4.120 -0.000 0.000 0.236 88 V C 0.358 176.443 176.094 -0.016 0.000 1.157 88 V CA 0.764 63.083 62.300 0.032 0.000 1.187 88 V CB 0.350 32.201 31.823 0.047 0.000 0.949 88 V HN 0.542 nan 8.190 nan 0.000 0.488 89 E N -0.119 120.060 120.200 -0.036 0.000 2.759 89 E HA 0.297 4.647 4.350 -0.000 0.000 0.318 89 E C -2.459 174.036 176.600 -0.175 0.000 1.093 89 E CA -1.508 54.848 56.400 -0.072 0.000 0.762 89 E CB 1.692 31.383 29.700 -0.015 0.000 1.543 89 E HN 0.096 nan 8.360 nan 0.000 0.381 90 P HA -0.138 nan 4.420 nan 0.000 0.216 90 P C 1.282 178.349 177.300 -0.387 0.000 1.153 90 P CA 1.127 63.697 63.100 -0.883 0.000 0.848 90 P CB 0.365 31.445 31.700 -1.033 0.000 0.787 91 S N -0.745 114.840 115.700 -0.192 0.000 2.345 91 S HA -0.132 4.338 4.470 -0.000 0.000 0.220 91 S C 2.009 176.677 174.600 0.113 0.000 1.031 91 S CA 1.416 59.620 58.200 0.007 0.000 0.996 91 S CB -1.076 62.103 63.200 -0.036 0.000 0.882 91 S HN 0.063 nan 8.310 nan 0.000 0.445 92 A N 1.213 124.117 122.820 0.140 0.000 1.969 92 A HA 0.240 4.559 4.320 -0.000 0.000 0.218 92 A C 2.395 180.015 177.584 0.060 0.000 1.169 92 A CA 1.753 53.891 52.037 0.168 0.000 0.635 92 A CB -1.220 17.906 19.000 0.210 0.000 0.810 92 A HN 0.730 nan 8.150 nan 0.000 0.445 93 A N -0.359 122.434 122.820 -0.045 0.000 1.902 93 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 93 A C 2.096 179.458 177.584 -0.370 0.000 1.181 93 A CA 1.751 53.604 52.037 -0.307 0.000 0.623 93 A CB -0.606 18.303 19.000 -0.152 0.000 0.818 93 A HN 0.652 nan 8.150 nan 0.000 0.443 94 L N -0.173 121.122 121.223 0.119 0.000 2.083 94 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 94 L C 2.429 179.448 176.870 0.248 0.000 1.083 94 L CA 2.674 57.723 54.840 0.349 0.000 0.752 94 L CB -1.079 41.311 42.059 0.553 0.000 0.899 94 L HN 0.380 nan 8.230 nan 0.000 0.433 95 T N -0.061 114.629 114.554 0.227 0.000 2.720 95 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 95 T C 1.950 176.847 174.700 0.329 0.000 1.037 95 T CA 2.092 64.363 62.100 0.286 0.000 1.144 95 T CB -0.302 68.784 68.868 0.363 0.000 0.864 95 T HN 0.332 nan 8.240 nan 0.000 0.444 96 I N 0.263 120.962 120.570 0.216 0.000 2.142 96 I HA -0.129 4.041 4.170 -0.000 0.000 0.240 96 I C 2.050 178.302 176.117 0.225 0.000 1.078 96 I CA 1.297 62.688 61.300 0.151 0.000 1.343 96 I CB -0.434 37.493 38.000 -0.121 0.000 1.046 96 I HN 0.152 nan 8.210 nan 0.000 0.405 97 F N 1.242 121.323 119.950 0.219 0.000 2.216 97 F HA -0.149 4.378 4.527 -0.000 0.000 0.300 97 F C 2.625 178.504 175.800 0.131 0.000 1.085 97 F CA 0.789 58.887 58.000 0.163 0.000 1.326 97 F CB -1.528 37.581 39.000 0.182 0.000 1.027 97 F HN 0.027 nan 8.300 nan 0.000 0.497 98 A N -0.567 122.446 122.820 0.322 0.000 1.972 98 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 98 A C 2.299 179.976 177.584 0.154 0.000 1.169 98 A CA 2.070 54.230 52.037 0.205 0.000 0.635 98 A CB -1.241 17.872 19.000 0.187 0.000 0.810 98 A HN 0.335 nan 8.150 nan 0.000 0.446 99 T N -0.360 114.318 114.554 0.208 0.000 2.821 99 T HA -0.022 4.328 4.350 -0.000 0.000 0.267 99 T C 1.923 176.670 174.700 0.078 0.000 1.046 99 T CA 1.348 63.554 62.100 0.176 0.000 1.139 99 T CB -0.439 68.633 68.868 0.340 0.000 0.871 99 T HN 0.589 nan 8.240 nan 0.000 0.454 100 G N 1.327 110.200 108.800 0.122 0.000 2.422 100 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.218 100 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.218 100 G C 1.504 176.393 174.900 -0.019 0.000 1.146 100 G CA 0.662 45.796 45.100 0.056 0.000 0.769 100 G HN 0.428 nan 8.290 nan 0.000 0.547 101 L N 1.579 122.800 121.223 -0.003 0.000 2.046 101 L HA 0.169 4.508 4.340 -0.000 0.000 0.208 101 L C 2.747 179.537 176.870 -0.133 0.000 1.077 101 L CA 2.257 57.049 54.840 -0.079 0.000 0.747 101 L CB -0.936 41.091 42.059 -0.053 0.000 0.896 101 L HN 0.148 nan 8.230 nan 0.000 0.432 102 G N -0.553 108.189 108.800 -0.097 0.000 2.432 102 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.219 102 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.219 102 G C 1.530 176.300 174.900 -0.216 0.000 1.135 102 G CA 1.013 46.029 45.100 -0.139 0.000 0.767 102 G HN 0.453 nan 8.290 nan 0.000 0.550 103 L N 0.511 121.595 121.223 -0.231 0.000 2.395 103 L HA 0.028 4.368 4.340 -0.000 0.000 0.218 103 L C 2.954 179.690 176.870 -0.224 0.000 1.130 103 L CA 0.732 55.403 54.840 -0.282 0.000 0.826 103 L CB -0.415 41.468 42.059 -0.293 0.000 0.941 103 L HN 0.106 nan 8.230 nan 0.000 0.451 104 T N 0.441 114.880 114.554 -0.192 0.000 2.684 104 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 104 T C -0.479 174.103 174.700 -0.196 0.000 1.036 104 T CA 1.390 63.385 62.100 -0.175 0.000 1.148 104 T CB -0.967 67.794 68.868 -0.178 0.000 0.863 104 T HN 0.225 nan 8.240 nan 0.000 0.436 105 P HA 0.041 nan 4.420 nan 0.000 0.218 105 P C 1.342 178.493 177.300 -0.248 0.000 1.148 105 P CA 0.858 63.813 63.100 -0.242 0.000 0.822 105 P CB -0.188 31.350 31.700 -0.270 0.000 0.784 106 I N -0.932 119.468 120.570 -0.282 0.000 2.286 106 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 106 I C 1.916 177.846 176.117 -0.311 0.000 1.104 106 I CA 1.431 62.531 61.300 -0.333 0.000 1.397 106 I CB -0.774 37.010 38.000 -0.359 0.000 1.072 106 I HN -0.035 nan 8.210 nan 0.000 0.417 107 N N 0.865 119.442 118.700 -0.206 0.000 2.149 107 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 107 N C 1.863 177.392 175.510 0.032 0.000 1.019 107 N CA 1.077 54.106 53.050 -0.035 0.000 0.857 107 N CB -0.069 38.411 38.487 -0.013 0.000 0.997 107 N HN 0.284 nan 8.380 nan 0.000 0.426 108 L N -0.671 120.514 121.223 -0.063 0.000 2.179 108 L HA 0.066 4.406 4.340 -0.000 0.000 0.208 108 L C 1.634 178.476 176.870 -0.047 0.000 1.096 108 L CA 0.661 55.466 54.840 -0.058 0.000 0.779 108 L CB 0.031 42.030 42.059 -0.100 0.000 0.922 108 L HN 0.181 nan 8.230 nan 0.000 0.443 109 A N -0.911 121.862 122.820 -0.079 0.000 2.653 109 A HA 0.539 4.858 4.320 -0.000 0.000 0.248 109 A C 0.847 178.402 177.584 -0.047 0.000 1.211 109 A CA 0.123 52.117 52.037 -0.071 0.000 0.991 109 A CB 0.043 18.972 19.000 -0.119 0.000 1.252 109 A HN 0.113 nan 8.150 nan 0.000 0.593 110 A N 0.462 123.240 122.820 -0.070 0.000 2.561 110 A HA 0.477 4.796 4.320 -0.000 0.000 0.234 110 A C 0.885 178.602 177.584 0.223 0.000 1.055 110 A CA 0.799 52.840 52.037 0.006 0.000 0.756 110 A CB -0.203 18.680 19.000 -0.194 0.000 0.986 110 A HN 1.081 nan 8.150 nan 0.000 0.505 111 G N 0.656 109.722 108.800 0.443 0.000 2.705 111 G HA2 0.572 4.532 3.960 -0.000 0.000 0.299 111 G HA3 0.572 4.532 3.960 -0.000 0.000 0.299 111 G C -1.525 173.428 174.900 0.087 0.000 1.315 111 G CA -0.829 44.373 45.100 0.170 0.000 1.045 111 G HN 0.445 nan 8.290 nan 0.000 0.517 112 P HA -0.140 nan 4.420 nan 0.000 0.219 112 P C 1.531 178.823 177.300 -0.013 0.000 1.146 112 P CA 1.099 64.216 63.100 0.027 0.000 0.808 112 P CB 0.155 31.861 31.700 0.011 0.000 0.779 113 Q N -0.936 118.783 119.800 -0.135 0.000 2.488 113 Q HA -0.156 4.184 4.340 -0.000 0.000 0.211 113 Q C 1.065 177.025 176.000 -0.066 0.000 0.967 113 Q CA 1.300 57.009 55.803 -0.156 0.000 0.926 113 Q CB -1.064 27.530 28.738 -0.240 0.000 0.992 113 Q HN 0.446 nan 8.270 nan 0.000 0.506 114 H N 0.024 119.204 119.070 0.183 0.000 2.551 114 H HA 0.373 4.929 4.556 -0.000 0.000 0.271 114 H C 1.700 177.187 175.328 0.265 0.000 0.984 114 H CA 0.521 56.745 56.048 0.293 0.000 1.164 114 H CB 0.367 30.159 29.762 0.049 0.000 1.437 114 H HN 0.414 nan 8.280 nan 0.000 0.550 115 A N 1.567 124.526 122.820 0.231 0.000 1.933 115 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 115 A C 2.300 179.963 177.584 0.132 0.000 1.175 115 A CA 1.542 53.677 52.037 0.164 0.000 0.628 115 A CB -0.253 18.817 19.000 0.117 0.000 0.814 115 A HN 0.614 nan 8.150 nan 0.000 0.444 116 E N -1.207 119.029 120.200 0.059 0.000 2.204 116 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 116 E C 1.476 178.025 176.600 -0.086 0.000 0.990 116 E CA 1.273 57.627 56.400 -0.076 0.000 0.821 116 E CB -0.536 29.025 29.700 -0.232 0.000 0.750 116 E HN 0.618 nan 8.360 nan 0.000 0.477 117 F N 0.392 120.399 119.950 0.095 0.000 2.367 117 F HA 0.022 4.549 4.527 -0.000 0.000 0.298 117 F C 1.869 177.776 175.800 0.177 0.000 1.094 117 F CA 0.319 58.388 58.000 0.115 0.000 1.409 117 F CB 0.022 39.073 39.000 0.085 0.000 1.064 117 F HN 0.061 nan 8.300 nan 0.000 0.528 118 L N -0.218 121.192 121.223 0.313 0.000 2.341 118 L HA 0.125 4.465 4.340 -0.000 0.000 0.214 118 L C 2.434 179.492 176.870 0.314 0.000 1.115 118 L CA 0.914 55.926 54.840 0.287 0.000 0.820 118 L CB -1.386 40.759 42.059 0.143 0.000 0.944 118 L HN 0.073 nan 8.230 nan 0.000 0.452 119 A N 0.703 123.641 122.820 0.196 0.000 1.903 119 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 119 A C -0.018 177.624 177.584 0.097 0.000 1.191 119 A CA 2.048 54.157 52.037 0.120 0.000 0.638 119 A CB -1.931 17.101 19.000 0.054 0.000 0.823 119 A HN 0.348 nan 8.150 nan 0.000 0.451 120 P HA -0.093 nan 4.420 nan 0.000 0.222 120 P C 0.646 177.830 177.300 -0.192 0.000 1.147 120 P CA 0.890 63.914 63.100 -0.126 0.000 0.790 120 P CB -0.149 31.381 31.700 -0.284 0.000 0.780 121 F N -2.143 117.851 119.950 0.073 0.000 2.765 121 F HA 0.171 4.697 4.527 -0.000 0.000 0.302 121 F C 1.699 177.538 175.800 0.065 0.000 1.111 121 F CA 0.503 58.550 58.000 0.080 0.000 1.359 121 F CB -0.301 38.746 39.000 0.079 0.000 1.097 121 F HN -0.185 nan 8.300 nan 0.000 0.577 122 L N -0.890 120.446 121.223 0.189 0.000 2.766 122 L HA 0.079 4.418 4.340 -0.000 0.000 0.242 122 L C 2.171 179.088 176.870 0.078 0.000 1.136 122 L CA 0.225 55.144 54.840 0.131 0.000 0.933 122 L CB -0.065 42.069 42.059 0.125 0.000 1.241 122 L HN 0.086 nan 8.230 nan 0.000 0.522 123 S N -0.621 115.112 115.700 0.055 0.000 2.461 123 S HA 0.015 4.485 4.470 -0.000 0.000 0.228 123 S C 1.729 176.346 174.600 0.028 0.000 1.005 123 S CA 0.661 58.879 58.200 0.030 0.000 0.942 123 S CB -0.026 63.178 63.200 0.008 0.000 0.776 123 S HN 0.475 nan 8.310 nan 0.000 0.514 124 G N 1.484 110.307 108.800 0.037 0.000 2.155 124 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.257 124 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.257 124 G C -0.174 174.738 174.900 0.020 0.000 0.983 124 G CA 0.590 45.708 45.100 0.030 0.000 0.676 124 G HN 0.939 nan 8.290 nan 0.000 0.528 125 E N -1.599 118.610 120.200 0.015 0.000 2.450 125 E HA 0.679 5.028 4.350 -0.000 0.000 0.272 125 E C 0.838 177.443 176.600 0.009 0.000 0.967 125 E CA -0.595 55.810 56.400 0.008 0.000 0.818 125 E CB 1.238 30.938 29.700 -0.001 0.000 1.401 125 E HN 1.714 nan 8.360 nan 0.000 0.450 126 G N 0.741 109.545 108.800 0.006 0.000 2.601 126 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.252 126 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.252 126 G C -0.006 174.941 174.900 0.078 0.000 1.294 126 G CA 0.161 45.269 45.100 0.012 0.000 0.912 126 G HN 1.421 nan 8.290 nan 0.000 0.574 127 S N -0.345 115.432 115.700 0.129 0.000 2.539 127 S HA 0.550 5.020 4.470 -0.000 0.000 0.185 127 S C -2.324 172.513 174.600 0.395 0.000 1.181 127 S CA 0.062 58.474 58.200 0.354 0.000 1.216 127 S CB 2.073 65.406 63.200 0.222 0.000 1.476 127 S HN 0.818 nan 8.310 nan 0.000 0.395 128 P HA 0.370 nan 4.420 nan 0.000 0.271 128 P C -0.665 176.760 177.300 0.208 0.000 1.216 128 P CA -0.328 62.747 63.100 -0.042 0.000 0.776 128 P CB 0.953 32.240 31.700 -0.689 0.000 0.881 129 L N 2.008 123.315 121.223 0.141 0.000 2.346 129 L HA 0.745 5.085 4.340 -0.000 0.000 0.274 129 L C 0.303 177.371 176.870 0.330 0.000 1.007 129 L CA -0.803 54.134 54.840 0.161 0.000 0.818 129 L CB 1.967 43.872 42.059 -0.257 0.000 1.284 129 L HN 0.409 nan 8.230 nan 0.000 0.424 130 A N 1.824 124.818 122.820 0.290 0.000 2.384 130 A HA 0.862 5.182 4.320 -0.000 0.000 0.312 130 A C -0.894 176.714 177.584 0.040 0.000 1.113 130 A CA -0.519 51.589 52.037 0.118 0.000 0.779 130 A CB 2.081 20.988 19.000 -0.157 0.000 1.307 130 A HN 0.505 nan 8.150 nan 0.000 0.436 131 S N 0.049 115.749 115.700 0.000 0.000 2.546 131 S HA 0.519 4.989 4.470 -0.000 0.000 0.272 131 S C -1.765 172.822 174.600 -0.020 0.000 1.140 131 S CA -0.461 57.745 58.200 0.011 0.000 0.920 131 S CB 1.164 64.387 63.200 0.039 0.000 1.083 131 S HN 1.341 nan 8.310 nan 0.000 0.476 132 L N 6.254 127.468 121.223 -0.014 0.000 2.259 132 L HA 0.596 4.936 4.340 -0.000 0.000 0.288 132 L C -1.004 175.910 176.870 0.073 0.000 1.051 132 L CA -0.130 54.689 54.840 -0.034 0.000 0.824 132 L CB 0.651 42.639 42.059 -0.118 0.000 1.206 132 L HN 0.449 nan 8.230 nan 0.000 0.429 133 V N 7.238 127.187 119.914 0.059 0.000 2.247 133 V HA 0.178 4.298 4.120 -0.000 0.000 0.262 133 V C 0.407 176.572 176.094 0.118 0.000 1.096 133 V CA 0.019 62.386 62.300 0.112 0.000 0.895 133 V CB -0.277 31.595 31.823 0.082 0.000 1.141 133 V HN 0.854 nan 8.190 nan 0.000 0.478 134 F N 2.201 122.192 119.950 0.069 0.000 2.536 134 F HA 0.303 4.830 4.527 -0.000 0.000 0.278 134 F C 1.597 177.510 175.800 0.190 0.000 0.945 134 F CA 0.343 58.403 58.000 0.099 0.000 1.244 134 F CB 0.605 39.753 39.000 0.246 0.000 1.118 134 F HN 0.332 nan 8.300 nan 0.000 0.725 135 S N 1.311 117.299 115.700 0.479 0.000 2.579 135 S HA 0.249 4.719 4.470 -0.000 0.000 0.275 135 S C -0.644 174.111 174.600 0.259 0.000 1.345 135 S CA -0.265 58.172 58.200 0.395 0.000 1.031 135 S CB 0.712 64.168 63.200 0.426 0.000 0.892 135 S HN 0.288 nan 8.310 nan 0.000 0.529 136 E N 0.784 121.119 120.200 0.226 0.000 2.383 136 E HA 0.251 4.601 4.350 -0.000 0.000 0.275 136 E C -2.058 174.600 176.600 0.097 0.000 0.918 136 E CA -2.070 54.411 56.400 0.135 0.000 0.764 136 E CB 1.536 31.308 29.700 0.121 0.000 1.252 136 E HN 0.206 nan 8.360 nan 0.000 0.449 137 P HA -0.142 nan 4.420 nan 0.000 0.216 137 P C 1.119 178.411 177.300 -0.013 0.000 1.150 137 P CA 1.161 64.180 63.100 -0.135 0.000 0.837 137 P CB 0.113 31.580 31.700 -0.388 0.000 0.786 138 G N -1.579 107.222 108.800 0.002 0.000 2.848 138 G HA2 0.362 4.322 3.960 -0.000 0.000 0.208 138 G HA3 0.362 4.322 3.960 -0.000 0.000 0.208 138 G C 0.598 175.516 174.900 0.030 0.000 1.152 138 G CA 0.420 45.530 45.100 0.015 0.000 0.789 138 G HN 0.638 nan 8.290 nan 0.000 0.531 139 G N -1.742 107.093 108.800 0.058 0.000 2.629 139 G HA2 0.167 4.127 3.960 -0.000 0.000 0.686 139 G HA3 0.167 4.127 3.960 -0.000 0.000 0.686 139 G C 0.165 175.086 174.900 0.034 0.000 1.232 139 G CA 0.044 45.178 45.100 0.056 0.000 0.803 139 G HN 1.314 nan 8.290 nan 0.000 0.638 140 V N -2.949 116.997 119.914 0.054 0.000 3.372 140 V HA 0.695 4.815 4.120 -0.000 0.000 0.304 140 V C 2.090 178.218 176.094 0.057 0.000 1.530 140 V CA 1.298 63.605 62.300 0.012 0.000 1.080 140 V CB -0.058 31.832 31.823 0.113 0.000 0.929 140 V HN 2.488 nan 8.190 nan 0.000 0.455 141 A N 1.753 124.607 122.820 0.058 0.000 2.024 141 A HA -0.096 4.223 4.320 -0.000 0.000 0.220 141 A C 1.494 179.098 177.584 0.034 0.000 1.164 141 A CA 2.290 54.366 52.037 0.064 0.000 0.643 141 A CB -0.747 18.269 19.000 0.027 0.000 0.806 141 A HN 0.759 nan 8.150 nan 0.000 0.451 142 N N -0.924 117.762 118.700 -0.024 0.000 2.275 142 N HA 0.423 5.163 4.740 -0.000 0.000 0.236 142 N C 1.037 176.473 175.510 -0.124 0.000 1.154 142 N CA 0.439 53.459 53.050 -0.051 0.000 0.866 142 N CB 0.577 39.037 38.487 -0.046 0.000 1.093 142 N HN 0.349 nan 8.380 nan 0.000 0.515 143 A N 0.155 122.840 122.820 -0.224 0.000 2.019 143 A HA -0.059 4.260 4.320 -0.000 0.000 0.219 143 A C 1.489 178.879 177.584 -0.324 0.000 1.164 143 A CA 1.225 52.951 52.037 -0.519 0.000 0.644 143 A CB -0.086 18.176 19.000 -1.230 0.000 0.805 143 A HN 0.204 nan 8.150 nan 0.000 0.449 144 L N -0.489 120.663 121.223 -0.119 0.000 2.640 144 L HA 0.239 4.579 4.340 -0.000 0.000 0.230 144 L C 0.794 177.653 176.870 -0.018 0.000 1.123 144 L CA 0.180 55.010 54.840 -0.016 0.000 0.900 144 L CB -0.207 41.913 42.059 0.101 0.000 1.146 144 L HN 0.439 nan 8.230 nan 0.000 0.484 145 E N 1.445 121.620 120.200 -0.041 0.000 2.324 145 E HA 0.041 4.391 4.350 -0.000 0.000 0.271 145 E C -0.133 176.451 176.600 -0.027 0.000 1.028 145 E CA -0.255 56.125 56.400 -0.033 0.000 0.890 145 E CB 0.562 30.239 29.700 -0.038 0.000 1.004 145 E HN 0.087 nan 8.360 nan 0.000 0.431 146 K N 2.380 122.769 120.400 -0.019 0.000 2.451 146 K HA 0.062 4.382 4.320 -0.000 0.000 0.280 146 K C 0.761 177.352 176.600 -0.015 0.000 1.020 146 K CA 0.987 57.266 56.287 -0.013 0.000 1.008 146 K CB 0.502 32.996 32.500 -0.010 0.000 0.917 146 K HN 0.882 nan 8.250 nan 0.000 0.478 147 G N 1.078 109.871 108.800 -0.012 0.000 2.176 147 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.253 147 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.253 147 G C 0.138 175.029 174.900 -0.015 0.000 0.979 147 G CA 0.113 45.206 45.100 -0.011 0.000 0.641 147 G HN 0.823 nan 8.290 nan 0.000 0.530 148 A N 0.102 122.908 122.820 -0.022 0.000 2.256 148 A HA 0.840 5.160 4.320 -0.000 0.000 0.318 148 A C -0.223 177.344 177.584 -0.028 0.000 1.103 148 A CA -0.408 51.611 52.037 -0.029 0.000 0.860 148 A CB 0.567 19.540 19.000 -0.045 0.000 1.182 148 A HN 0.046 nan 8.150 nan 0.000 0.501 149 P HA 0.153 nan 4.420 nan 0.000 0.220 149 P C 0.826 178.112 177.300 -0.024 0.000 1.148 149 P CA 1.687 64.776 63.100 -0.018 0.000 0.803 149 P CB -0.136 31.555 31.700 -0.014 0.000 0.782 150 G N -1.227 107.533 108.800 -0.067 0.000 2.760 150 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.246 150 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.246 150 G C -0.565 174.272 174.900 -0.104 0.000 1.359 150 G CA -0.966 44.070 45.100 -0.107 0.000 0.861 150 G HN 0.033 nan 8.290 nan 0.000 0.541 151 F N 0.999 120.916 119.950 -0.055 0.000 2.635 151 F HA 0.151 4.678 4.527 -0.000 0.000 0.379 151 F C 2.032 177.804 175.800 -0.048 0.000 1.094 151 F CA 1.226 59.176 58.000 -0.083 0.000 1.300 151 F CB 0.843 39.767 39.000 -0.128 0.000 1.035 151 F HN 0.585 nan 8.300 nan 0.000 0.581 152 Q N 1.350 121.255 119.800 0.175 0.000 2.245 152 Q HA -0.060 4.280 4.340 -0.000 0.000 0.201 152 Q C 0.164 176.219 176.000 0.093 0.000 0.955 152 Q CA 0.803 56.667 55.803 0.103 0.000 0.870 152 Q CB 0.085 28.870 28.738 0.078 0.000 0.945 152 Q HN 0.664 nan 8.270 nan 0.000 0.461 153 T N 2.267 116.875 114.554 0.089 0.000 2.794 153 T HA 0.259 4.609 4.350 -0.000 0.000 0.296 153 T C 0.016 174.710 174.700 -0.010 0.000 0.949 153 T CA 0.006 62.116 62.100 0.017 0.000 1.101 153 T CB 1.052 69.883 68.868 -0.061 0.000 0.905 153 T HN 0.319 nan 8.240 nan 0.000 0.516 154 T N -0.101 114.459 114.554 0.009 0.000 2.930 154 T HA 0.847 5.197 4.350 -0.000 0.000 0.290 154 T C -0.789 173.930 174.700 0.032 0.000 1.052 154 T CA -1.097 61.018 62.100 0.025 0.000 1.017 154 T CB 2.007 70.909 68.868 0.055 0.000 1.137 154 T HN 0.667 nan 8.240 nan 0.000 0.511 155 A N 1.535 124.403 122.820 0.080 0.000 2.449 155 A HA 0.861 5.181 4.320 -0.000 0.000 0.302 155 A C -0.621 177.167 177.584 0.340 0.000 1.048 155 A CA -1.108 51.045 52.037 0.193 0.000 0.708 155 A CB 1.357 20.432 19.000 0.125 0.000 1.274 155 A HN 0.858 nan 8.150 nan 0.000 0.410 156 R N 0.800 121.490 120.500 0.316 0.000 2.574 156 R HA 0.458 4.798 4.340 -0.000 0.000 0.288 156 R C -1.461 174.713 176.300 -0.211 0.000 1.004 156 R CA -0.844 55.318 56.100 0.104 0.000 0.895 156 R CB 2.195 32.510 30.300 0.026 0.000 1.191 156 R HN 0.595 nan 8.270 nan 0.000 0.444 157 L N 2.770 123.538 121.223 -0.758 0.000 2.369 157 L HA 0.195 4.535 4.340 -0.000 0.000 0.279 157 L C -0.573 176.010 176.870 -0.478 0.000 1.108 157 L CA 0.656 54.851 54.840 -1.074 0.000 0.852 157 L CB 0.449 41.673 42.059 -1.393 0.000 1.169 157 L HN 0.570 nan 8.230 nan 0.000 0.452 158 E N 4.984 124.979 120.200 -0.342 0.000 2.255 158 E HA 0.510 4.860 4.350 -0.000 0.000 0.245 158 E C 0.602 177.103 176.600 -0.166 0.000 0.909 158 E CA 0.027 56.312 56.400 -0.191 0.000 0.747 158 E CB 0.916 30.549 29.700 -0.112 0.000 1.215 158 E HN 0.950 nan 8.360 nan 0.000 0.424 159 G N 4.537 113.245 108.800 -0.154 0.000 2.543 159 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.286 159 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.286 159 G C 0.336 175.154 174.900 -0.137 0.000 1.153 159 G CA 0.449 45.480 45.100 -0.116 0.000 0.968 159 G HN 0.688 nan 8.290 nan 0.000 0.544 160 D N 2.148 122.493 120.400 -0.092 0.000 2.463 160 D HA 0.259 4.899 4.640 -0.000 0.000 0.224 160 D C 0.577 176.847 176.300 -0.050 0.000 1.174 160 D CA 0.809 54.768 54.000 -0.069 0.000 0.829 160 D CB -0.248 40.538 40.800 -0.023 0.000 0.993 160 D HN 0.939 nan 8.370 nan 0.000 0.497 161 E N -0.819 119.324 120.200 -0.095 0.000 2.317 161 E HA 0.459 4.809 4.350 -0.000 0.000 0.270 161 E C -1.212 175.318 176.600 -0.116 0.000 0.885 161 E CA -1.103 55.281 56.400 -0.027 0.000 0.760 161 E CB 0.897 30.610 29.700 0.022 0.000 1.227 161 E HN -0.047 nan 8.360 nan 0.000 0.434 162 W N 1.626 122.929 121.300 0.004 0.000 2.315 162 W HA 0.415 5.075 4.660 -0.000 0.000 0.316 162 W C -0.614 175.902 176.519 -0.005 0.000 1.211 162 W CA -0.393 56.948 57.345 -0.007 0.000 1.201 162 W CB 1.548 30.996 29.460 -0.020 0.000 1.184 162 W HN 0.244 nan 8.180 nan 0.000 0.544 163 V N 5.840 125.880 119.914 0.210 0.000 2.409 163 V HA 0.412 4.532 4.120 -0.000 0.000 0.291 163 V C -0.161 176.015 176.094 0.135 0.000 1.020 163 V CA -1.000 61.378 62.300 0.130 0.000 0.848 163 V CB 1.018 32.879 31.823 0.063 0.000 0.990 163 V HN 0.323 nan 8.190 nan 0.000 0.430 164 I N 5.168 125.799 120.570 0.100 0.000 2.377 164 I HA 0.522 4.692 4.170 -0.000 0.000 0.293 164 I C -0.230 175.933 176.117 0.077 0.000 0.987 164 I CA -0.285 61.049 61.300 0.057 0.000 1.185 164 I CB 1.523 39.507 38.000 -0.027 0.000 1.341 164 I HN 0.559 nan 8.210 nan 0.000 0.455 165 N N 4.361 123.102 118.700 0.068 0.000 2.260 165 N HA 0.766 5.506 4.740 -0.000 0.000 0.293 165 N C -0.673 174.889 175.510 0.086 0.000 1.058 165 N CA -0.470 52.634 53.050 0.090 0.000 0.824 165 N CB 2.743 41.271 38.487 0.069 0.000 1.551 165 N HN 0.882 nan 8.380 nan 0.000 0.475 166 G N 0.744 109.621 108.800 0.128 0.000 2.339 166 G HA2 0.124 4.084 3.960 -0.000 0.000 0.302 166 G HA3 0.124 4.084 3.960 -0.000 0.000 0.302 166 G C -1.859 173.138 174.900 0.161 0.000 1.425 166 G CA -0.746 44.425 45.100 0.118 0.000 0.899 166 G HN 0.388 nan 8.290 nan 0.000 0.619 167 E N 0.371 120.649 120.200 0.129 0.000 2.191 167 E HA 0.588 4.938 4.350 -0.000 0.000 0.274 167 E C -0.534 176.161 176.600 0.158 0.000 0.948 167 E CA -0.873 55.611 56.400 0.141 0.000 0.802 167 E CB 1.926 31.736 29.700 0.183 0.000 1.137 167 E HN 0.209 nan 8.360 nan 0.000 0.397 168 K N 1.997 122.502 120.400 0.175 0.000 2.395 168 K HA 0.596 4.916 4.320 -0.000 0.000 0.247 168 K C -0.749 175.914 176.600 0.105 0.000 0.973 168 K CA -0.793 55.592 56.287 0.164 0.000 0.828 168 K CB 2.470 35.121 32.500 0.252 0.000 1.272 168 K HN 0.543 nan 8.250 nan 0.000 0.439 169 M N 0.326 119.972 119.600 0.076 0.000 2.465 169 M HA 0.244 4.724 4.480 -0.000 0.000 0.284 169 M C -1.080 175.287 176.300 0.112 0.000 1.212 169 M CA 0.032 55.283 55.300 -0.081 0.000 0.910 169 M CB 1.416 33.815 32.600 -0.336 0.000 1.725 169 M HN 0.716 nan 8.290 nan 0.000 0.477 170 W N 0.803 122.133 121.300 0.050 0.000 1.828 170 W HA -0.214 4.446 4.660 -0.000 0.000 0.253 170 W C 0.154 176.721 176.519 0.080 0.000 1.019 170 W CA 0.533 57.916 57.345 0.063 0.000 0.447 170 W CB -1.847 27.658 29.460 0.074 0.000 2.033 170 W HN 0.823 nan 8.180 nan 0.000 1.268 171 A N 1.626 124.597 122.820 0.253 0.000 2.457 171 A HA 0.518 4.838 4.320 -0.000 0.000 0.298 171 A C 0.684 178.352 177.584 0.139 0.000 1.288 171 A CA 0.676 52.839 52.037 0.209 0.000 0.956 171 A CB -0.055 19.067 19.000 0.203 0.000 1.135 171 A HN 0.117 nan 8.150 nan 0.000 0.535 172 T N 3.209 117.845 114.554 0.138 0.000 2.871 172 T HA 0.086 4.436 4.350 -0.000 0.000 0.296 172 T C 1.093 175.812 174.700 0.032 0.000 0.998 172 T CA 1.278 63.430 62.100 0.087 0.000 1.162 172 T CB -0.327 68.617 68.868 0.127 0.000 0.947 172 T HN 0.900 nan 8.240 nan 0.000 0.536 173 N N -0.838 117.824 118.700 -0.063 0.000 2.980 173 N HA -0.267 4.473 4.740 -0.000 0.000 0.219 173 N C 1.532 176.997 175.510 -0.076 0.000 0.883 173 N CA 0.857 53.838 53.050 -0.115 0.000 1.018 173 N CB -1.972 36.483 38.487 -0.054 0.000 1.041 173 N HN 0.883 nan 8.380 nan 0.000 0.592 174 C N -0.146 119.159 119.300 0.008 0.000 2.410 174 C HA 0.277 4.737 4.460 -0.000 0.000 0.281 174 C C 2.504 177.513 174.990 0.033 0.000 1.318 174 C CA 0.860 59.919 59.018 0.069 0.000 1.776 174 C CB -1.276 26.579 27.740 0.191 0.000 1.942 174 C HN 0.558 nan 8.230 nan 0.000 0.508 175 A N 0.378 123.251 122.820 0.089 0.000 2.238 175 A HA 0.528 4.848 4.320 -0.000 0.000 0.210 175 A C 1.467 179.081 177.584 0.050 0.000 1.179 175 A CA 1.276 53.426 52.037 0.189 0.000 0.827 175 A CB -1.069 18.191 19.000 0.434 0.000 0.856 175 A HN 2.038 nan 8.150 nan 0.000 0.488 176 G N -2.189 106.569 108.800 -0.070 0.000 2.828 176 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.463 176 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.463 176 G C 0.274 175.114 174.900 -0.100 0.000 1.394 176 G CA -0.067 44.932 45.100 -0.169 0.000 0.862 176 G HN 0.484 nan 8.290 nan 0.000 0.540 177 W N -0.204 121.072 121.300 -0.040 0.000 2.402 177 W HA 0.097 4.757 4.660 -0.000 0.000 0.286 177 W C 2.322 178.574 176.519 -0.445 0.000 1.221 177 W CA 1.189 58.397 57.345 -0.227 0.000 1.257 177 W CB 0.057 29.342 29.460 -0.291 0.000 1.120 177 W HN 0.730 nan 8.180 nan 0.000 0.551 178 D N -1.889 118.437 120.400 -0.122 0.000 2.395 178 D HA -0.049 4.591 4.640 -0.000 0.000 0.213 178 D C 0.431 176.705 176.300 -0.044 0.000 1.110 178 D CA -0.360 53.543 54.000 -0.163 0.000 0.835 178 D CB -0.900 39.898 40.800 -0.004 0.000 0.965 178 D HN 0.083 nan 8.370 nan 0.000 0.505 179 F N 0.113 120.185 119.950 0.202 0.000 2.953 179 F HA -0.219 4.308 4.527 -0.000 0.000 0.292 179 F C 0.836 176.771 175.800 0.225 0.000 0.747 179 F CA 0.262 58.387 58.000 0.208 0.000 1.222 179 F CB -2.317 36.820 39.000 0.229 0.000 1.457 179 F HN 0.170 nan 8.300 nan 0.000 0.383 180 K N 0.256 120.801 120.400 0.241 0.000 2.455 180 K HA 0.548 4.868 4.320 -0.000 0.000 0.206 180 K C 0.858 177.366 176.600 -0.153 0.000 1.027 180 K CA 0.454 56.855 56.287 0.189 0.000 1.113 180 K CB 0.818 33.397 32.500 0.131 0.000 0.850 180 K HN 0.408 nan 8.250 nan 0.000 0.503 181 G N 1.661 110.216 108.800 -0.408 0.000 3.014 181 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.683 181 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.683 181 G C -0.003 174.704 174.900 -0.321 0.000 1.271 181 G CA -0.887 43.749 45.100 -0.773 0.000 0.843 181 G HN 0.248 nan 8.290 nan 0.000 0.612 182 C N 1.091 120.235 119.300 -0.260 0.000 2.553 182 C HA 0.706 5.166 4.460 -0.000 0.000 0.345 182 C C 1.686 176.646 174.990 -0.050 0.000 1.369 182 C CA 0.482 59.423 59.018 -0.130 0.000 2.447 182 C CB 0.425 28.109 27.740 -0.093 0.000 2.358 182 C HN 0.796 nan 8.230 nan 0.000 0.676 183 D N -0.089 120.322 120.400 0.019 0.000 2.117 183 D HA 0.051 4.691 4.640 -0.000 0.000 0.197 183 D C 0.103 176.508 176.300 0.174 0.000 0.987 183 D CA 1.409 55.458 54.000 0.082 0.000 0.829 183 D CB -0.104 40.727 40.800 0.051 0.000 0.961 183 D HN 0.456 nan 8.370 nan 0.000 0.460 184 L N -0.365 120.993 121.223 0.226 0.000 2.541 184 L HA 0.589 4.929 4.340 -0.000 0.000 0.266 184 L C -1.716 175.184 176.870 0.050 0.000 0.966 184 L CA -0.800 54.151 54.840 0.184 0.000 0.871 184 L CB 1.440 43.674 42.059 0.292 0.000 1.232 184 L HN -0.089 nan 8.230 nan 0.000 0.408 185 A N 4.001 126.819 122.820 -0.003 0.000 2.318 185 A HA 0.661 4.980 4.320 -0.000 0.000 0.324 185 A C -0.545 176.965 177.584 -0.124 0.000 1.170 185 A CA -0.431 51.582 52.037 -0.040 0.000 0.810 185 A CB 0.812 19.815 19.000 0.006 0.000 1.198 185 A HN 0.759 nan 8.150 nan 0.000 0.484 186 C N 3.309 122.521 119.300 -0.147 0.000 2.227 186 C HA 0.442 4.902 4.460 -0.000 0.000 0.333 186 C C 0.413 175.286 174.990 -0.194 0.000 1.145 186 C CA -0.529 58.364 59.018 -0.207 0.000 1.643 186 C CB -0.970 26.635 27.740 -0.225 0.000 2.185 186 C HN 0.561 nan 8.230 nan 0.000 0.497 187 V N 5.542 125.306 119.914 -0.249 0.000 2.364 187 V HA 0.221 4.341 4.120 -0.000 0.000 0.272 187 V C 0.248 176.146 176.094 -0.327 0.000 1.036 187 V CA -0.200 61.928 62.300 -0.286 0.000 0.880 187 V CB 1.110 32.697 31.823 -0.393 0.000 0.991 187 V HN 0.641 nan 8.190 nan 0.000 0.460 188 V N 5.662 125.368 119.914 -0.347 0.000 2.432 188 V HA 0.462 4.581 4.120 -0.000 0.000 0.271 188 V C 0.330 175.950 176.094 -0.790 0.000 1.046 188 V CA -0.186 61.807 62.300 -0.512 0.000 0.945 188 V CB 0.604 32.145 31.823 -0.470 0.000 0.992 188 V HN 1.155 nan 8.190 nan 0.000 0.471 189 C N 3.927 122.815 119.300 -0.687 0.000 3.323 189 C HA 0.900 5.360 4.460 -0.000 0.000 0.324 189 C C -0.513 174.272 174.990 -0.343 0.000 1.428 189 C CA -1.356 57.317 59.018 -0.575 0.000 1.368 189 C CB 2.050 29.588 27.740 -0.337 0.000 1.731 189 C HN 0.988 nan 8.230 nan 0.000 0.455 190 R N 0.485 120.914 120.500 -0.118 0.000 2.514 190 R HA 0.608 4.948 4.340 -0.000 0.000 0.301 190 R C -1.001 175.315 176.300 0.026 0.000 0.962 190 R CA -0.056 56.053 56.100 0.016 0.000 0.882 190 R CB 1.137 31.522 30.300 0.142 0.000 1.143 190 R HN 0.752 nan 8.270 nan 0.000 0.452 191 D N 2.829 123.254 120.400 0.041 0.000 2.401 191 D HA 0.104 4.744 4.640 -0.000 0.000 0.254 191 D C -0.090 176.287 176.300 0.130 0.000 1.192 191 D CA 0.109 54.188 54.000 0.132 0.000 0.885 191 D CB 1.361 42.251 40.800 0.150 0.000 1.147 191 D HN 0.686 nan 8.370 nan 0.000 0.478 192 A N 3.110 126.016 122.820 0.143 0.000 2.564 192 A HA 0.141 4.460 4.320 -0.000 0.000 0.279 192 A C 1.741 179.372 177.584 0.078 0.000 1.232 192 A CA -0.219 51.874 52.037 0.094 0.000 0.950 192 A CB 0.022 19.067 19.000 0.075 0.000 1.138 192 A HN 0.581 nan 8.150 nan 0.000 0.526 193 T N 0.942 115.555 114.554 0.098 0.000 2.720 193 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 193 T C 1.203 175.915 174.700 0.020 0.000 1.037 193 T CA 1.943 64.060 62.100 0.027 0.000 1.144 193 T CB -0.327 68.536 68.868 -0.009 0.000 0.864 193 T HN 0.738 nan 8.240 nan 0.000 0.444 194 T N -0.072 114.508 114.554 0.042 0.000 2.887 194 T HA 0.603 4.953 4.350 -0.000 0.000 0.288 194 T C -3.206 171.517 174.700 0.039 0.000 1.021 194 T CA -2.333 59.786 62.100 0.032 0.000 1.000 194 T CB 2.176 71.063 68.868 0.031 0.000 1.034 194 T HN -0.178 nan 8.240 nan 0.000 0.467 195 P HA 0.307 nan 4.420 nan 0.000 0.274 195 P C -0.395 176.924 177.300 0.031 0.000 1.237 195 P CA -0.889 62.228 63.100 0.030 0.000 0.793 195 P CB 0.302 32.015 31.700 0.021 0.000 0.977 196 L N 1.873 123.115 121.223 0.031 0.000 2.499 196 L HA 0.042 4.382 4.340 -0.000 0.000 0.273 196 L C 0.417 177.300 176.870 0.022 0.000 1.195 196 L CA 0.605 55.463 54.840 0.029 0.000 0.882 196 L CB -0.539 41.536 42.059 0.028 0.000 1.133 196 L HN 0.352 nan 8.230 nan 0.000 0.483 197 E N 2.344 122.556 120.200 0.021 0.000 2.371 197 E HA 0.089 4.439 4.350 -0.000 0.000 0.257 197 E C -0.440 176.168 176.600 0.013 0.000 1.134 197 E CA -0.659 55.750 56.400 0.016 0.000 0.919 197 E CB 0.505 30.214 29.700 0.016 0.000 1.025 197 E HN 0.495 nan 8.360 nan 0.000 0.438 198 E N 0.478 120.685 120.200 0.010 0.000 2.498 198 E HA -0.002 4.348 4.350 -0.000 0.000 0.252 198 E C 0.568 177.172 176.600 0.007 0.000 1.025 198 E CA 1.168 57.573 56.400 0.008 0.000 0.938 198 E CB -0.281 29.423 29.700 0.006 0.000 0.947 198 E HN 0.683 nan 8.360 nan 0.000 0.478 199 G N 3.642 112.446 108.800 0.006 0.000 2.155 199 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.257 199 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.257 199 G C 0.241 175.146 174.900 0.008 0.000 0.983 199 G CA 0.555 45.658 45.100 0.005 0.000 0.676 199 G HN 0.655 nan 8.290 nan 0.000 0.528 200 Q N 0.323 120.130 119.800 0.011 0.000 2.340 200 Q HA 0.353 4.693 4.340 -0.000 0.000 0.249 200 Q C -0.203 175.806 176.000 0.016 0.000 0.957 200 Q CA -0.592 55.220 55.803 0.015 0.000 0.882 200 Q CB 0.523 29.273 28.738 0.019 0.000 1.235 200 Q HN 0.212 nan 8.270 nan 0.000 0.439 201 D N 4.262 124.673 120.400 0.019 0.000 2.382 201 D HA 0.043 4.683 4.640 -0.000 0.000 0.259 201 D C -1.839 174.480 176.300 0.031 0.000 1.224 201 D CA -1.796 52.218 54.000 0.022 0.000 0.894 201 D CB 1.329 42.144 40.800 0.025 0.000 1.127 201 D HN 0.376 nan 8.370 nan 0.000 0.487 202 P HA -0.149 nan 4.420 nan 0.000 0.218 202 P C 1.050 178.387 177.300 0.061 0.000 1.146 202 P CA 0.862 63.985 63.100 0.037 0.000 0.813 202 P CB 0.210 31.921 31.700 0.018 0.000 0.778 203 E N -0.198 120.043 120.200 0.068 0.000 2.160 203 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 203 E C 1.408 178.052 176.600 0.074 0.000 0.991 203 E CA 1.048 57.504 56.400 0.093 0.000 0.810 203 E CB -0.380 29.380 29.700 0.101 0.000 0.742 203 E HN 0.135 nan 8.360 nan 0.000 0.466 204 N N 0.407 119.141 118.700 0.056 0.000 2.443 204 N HA -0.109 4.631 4.740 -0.000 0.000 0.184 204 N C 0.878 176.415 175.510 0.044 0.000 1.037 204 N CA 0.849 53.927 53.050 0.045 0.000 0.896 204 N CB 0.108 38.619 38.487 0.039 0.000 0.959 204 N HN 0.155 nan 8.380 nan 0.000 0.442 205 K N 0.020 120.452 120.400 0.053 0.000 2.353 205 K HA 0.208 4.528 4.320 -0.000 0.000 0.195 205 K C 0.058 176.679 176.600 0.034 0.000 1.031 205 K CA -0.053 56.266 56.287 0.052 0.000 1.079 205 K CB 0.561 33.100 32.500 0.065 0.000 0.857 205 K HN -0.044 nan 8.250 nan 0.000 0.535 206 V N 3.060 123.001 119.914 0.044 0.000 2.555 206 V HA 0.206 4.326 4.120 -0.000 0.000 0.286 206 V C 0.343 176.391 176.094 -0.077 0.000 1.044 206 V CA 0.126 62.437 62.300 0.017 0.000 1.026 206 V CB 0.611 32.499 31.823 0.107 0.000 0.981 206 V HN 0.121 nan 8.190 nan 0.000 0.480 207 M N 5.341 124.837 119.600 -0.173 0.000 2.690 207 M HA 0.651 5.131 4.480 -0.000 0.000 0.302 207 M C -1.072 175.056 176.300 -0.288 0.000 1.234 207 M CA -0.567 54.584 55.300 -0.248 0.000 0.853 207 M CB 2.696 35.081 32.600 -0.359 0.000 1.748 207 M HN 0.327 nan 8.290 nan 0.000 0.469 208 I N 2.274 122.667 120.570 -0.295 0.000 2.436 208 I HA 0.521 4.691 4.170 -0.000 0.000 0.289 208 I C -1.125 174.781 176.117 -0.352 0.000 1.010 208 I CA -0.525 60.588 61.300 -0.311 0.000 1.098 208 I CB 1.603 39.437 38.000 -0.276 0.000 1.266 208 I HN 0.540 nan 8.210 nan 0.000 0.434 209 I N 6.440 126.796 120.570 -0.356 0.000 2.465 209 I HA 0.384 4.554 4.170 -0.000 0.000 0.291 209 I C -0.243 175.683 176.117 -0.319 0.000 1.014 209 I CA -0.779 60.308 61.300 -0.354 0.000 1.093 209 I CB 2.029 39.818 38.000 -0.352 0.000 1.267 209 I HN 0.320 nan 8.210 nan 0.000 0.431 210 L N 6.075 127.089 121.223 -0.348 0.000 2.426 210 L HA 0.364 4.704 4.340 -0.000 0.000 0.271 210 L C -0.450 176.307 176.870 -0.189 0.000 1.169 210 L CA -0.391 54.245 54.840 -0.340 0.000 0.836 210 L CB 0.849 42.538 42.059 -0.617 0.000 1.112 210 L HN 0.309 nan 8.230 nan 0.000 0.465 211 V N 1.343 121.186 119.914 -0.117 0.000 2.524 211 V HA 0.320 4.440 4.120 -0.000 0.000 0.297 211 V C 0.161 176.282 176.094 0.046 0.000 1.035 211 V CA -0.635 61.653 62.300 -0.021 0.000 0.867 211 V CB 1.985 33.774 31.823 -0.056 0.000 1.004 211 V HN 0.921 nan 8.190 nan 0.000 0.426 212 T N 1.483 116.106 114.554 0.114 0.000 2.944 212 T HA 0.479 4.829 4.350 -0.000 0.000 0.284 212 T C 0.951 175.690 174.700 0.064 0.000 1.010 212 T CA -0.560 61.617 62.100 0.128 0.000 1.025 212 T CB 1.955 70.944 68.868 0.202 0.000 1.079 212 T HN 0.444 nan 8.240 nan 0.000 0.516 213 R N 1.247 121.768 120.500 0.034 0.000 2.105 213 R HA 0.015 4.355 4.340 -0.000 0.000 0.239 213 R C 2.399 178.710 176.300 0.020 0.000 1.135 213 R CA 2.120 58.216 56.100 -0.005 0.000 0.967 213 R CB -1.469 28.820 30.300 -0.018 0.000 0.861 213 R HN 0.843 nan 8.270 nan 0.000 0.442 214 A N 0.663 123.504 122.820 0.036 0.000 1.908 214 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 214 A C 1.775 179.389 177.584 0.050 0.000 1.181 214 A CA 1.914 53.972 52.037 0.035 0.000 0.627 214 A CB -0.655 18.361 19.000 0.026 0.000 0.818 214 A HN 0.436 nan 8.150 nan 0.000 0.445 215 D N 0.162 120.605 120.400 0.072 0.000 2.104 215 D HA -0.141 4.499 4.640 -0.000 0.000 0.194 215 D C 2.001 178.348 176.300 0.080 0.000 0.994 215 D CA 1.275 55.326 54.000 0.085 0.000 0.830 215 D CB -0.382 40.481 40.800 0.106 0.000 0.959 215 D HN 0.470 nan 8.370 nan 0.000 0.452 216 L N 0.911 122.178 121.223 0.073 0.000 2.046 216 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 216 L C 2.050 178.963 176.870 0.070 0.000 1.077 216 L CA 1.070 55.960 54.840 0.083 0.000 0.747 216 L CB -0.352 41.731 42.059 0.041 0.000 0.896 216 L HN -0.086 nan 8.230 nan 0.000 0.432 217 D N -0.369 120.061 120.400 0.049 0.000 2.144 217 D HA -0.174 4.465 4.640 -0.000 0.000 0.200 217 D C 2.209 178.536 176.300 0.044 0.000 0.978 217 D CA 0.937 54.963 54.000 0.043 0.000 0.833 217 D CB -0.135 40.684 40.800 0.030 0.000 0.961 217 D HN 0.209 nan 8.370 nan 0.000 0.470 218 R N 0.767 121.294 120.500 0.046 0.000 2.081 218 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 218 R C 1.661 177.990 176.300 0.049 0.000 1.131 218 R CA 1.059 57.185 56.100 0.043 0.000 0.960 218 R CB -0.003 30.324 30.300 0.045 0.000 0.856 218 R HN 0.084 nan 8.270 nan 0.000 0.436 219 N N 0.137 118.874 118.700 0.062 0.000 2.453 219 N HA -0.031 4.709 4.740 -0.000 0.000 0.183 219 N C 0.676 176.222 175.510 0.060 0.000 1.041 219 N CA 1.115 54.204 53.050 0.066 0.000 0.900 219 N CB 0.314 38.853 38.487 0.087 0.000 0.961 219 N HN 0.450 nan 8.380 nan 0.000 0.443 220 G N 1.283 110.118 108.800 0.058 0.000 2.760 220 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 220 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 220 G C -0.855 174.077 174.900 0.055 0.000 1.359 220 G CA -0.661 44.468 45.100 0.049 0.000 0.861 220 G HN 0.318 nan 8.290 nan 0.000 0.541 221 E N 0.398 120.624 120.200 0.044 0.000 2.481 221 E HA 0.330 4.680 4.350 -0.000 0.000 0.263 221 E C 1.434 178.055 176.600 0.036 0.000 0.992 221 E CA 1.234 57.659 56.400 0.040 0.000 0.938 221 E CB 0.232 29.949 29.700 0.028 0.000 0.933 221 E HN 2.279 nan 8.360 nan 0.000 0.453 222 G N 2.097 110.916 108.800 0.031 0.000 2.199 222 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.254 222 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.254 222 G C 1.136 176.051 174.900 0.024 0.000 0.982 222 G CA 0.673 45.779 45.100 0.010 0.000 0.632 222 G HN 0.648 nan 8.290 nan 0.000 0.529 223 S N -1.176 114.566 115.700 0.069 0.000 2.406 223 S HA 0.411 4.881 4.470 -0.000 0.000 0.228 223 S C 0.674 175.368 174.600 0.158 0.000 1.020 223 S CA 1.144 59.412 58.200 0.113 0.000 0.965 223 S CB 0.097 63.378 63.200 0.135 0.000 0.798 223 S HN 1.236 nan 8.310 nan 0.000 0.488 224 F N 1.049 120.973 119.950 -0.043 0.000 2.547 224 F HA 0.683 5.210 4.527 -0.000 0.000 0.316 224 F C -0.763 174.951 175.800 -0.143 0.000 1.121 224 F CA -0.790 57.122 58.000 -0.147 0.000 0.911 224 F CB 1.871 40.796 39.000 -0.124 0.000 1.179 224 F HN 0.146 nan 8.300 nan 0.000 0.443 225 E N 4.723 124.400 120.200 -0.871 0.000 2.304 225 E HA 0.429 4.779 4.350 -0.000 0.000 0.277 225 E C -1.811 174.303 176.600 -0.809 0.000 0.898 225 E CA -0.822 55.219 56.400 -0.597 0.000 0.764 225 E CB 2.382 31.869 29.700 -0.356 0.000 1.216 225 E HN 0.480 nan 8.360 nan 0.000 0.419 226 V N 6.372 125.962 119.914 -0.541 0.000 2.427 226 V HA 0.066 4.186 4.120 -0.000 0.000 0.268 226 V C 1.278 177.079 176.094 -0.488 0.000 1.046 226 V CA 0.260 62.241 62.300 -0.532 0.000 0.970 226 V CB 0.775 32.301 31.823 -0.494 0.000 1.001 226 V HN 0.782 nan 8.190 nan 0.000 0.476 227 L N 4.014 124.915 121.223 -0.536 0.000 2.168 227 L HA 0.274 4.614 4.340 -0.000 0.000 0.203 227 L C 1.202 177.831 176.870 -0.402 0.000 1.078 227 L CA 0.792 55.334 54.840 -0.496 0.000 0.780 227 L CB 0.041 41.652 42.059 -0.746 0.000 0.939 227 L HN 0.588 nan 8.230 nan 0.000 0.451 228 R N -0.512 119.742 120.500 -0.411 0.000 2.515 228 R HA 0.250 4.590 4.340 -0.000 0.000 0.278 228 R C -1.130 174.953 176.300 -0.362 0.000 1.107 228 R CA -0.633 55.287 56.100 -0.300 0.000 0.945 228 R CB 1.168 31.374 30.300 -0.156 0.000 1.219 228 R HN 0.043 nan 8.270 nan 0.000 0.434 229 H N 2.815 121.747 119.070 -0.230 0.000 2.722 229 H HA 0.171 4.727 4.556 -0.000 0.000 0.328 229 H C -0.242 174.973 175.328 -0.189 0.000 1.067 229 H CA 0.036 55.938 56.048 -0.242 0.000 1.447 229 H CB 1.506 31.112 29.762 -0.260 0.000 1.469 229 H HN 0.179 nan 8.280 nan 0.000 0.544 230 V N 3.066 122.920 119.914 -0.100 0.000 2.364 230 V HA 0.296 4.416 4.120 -0.000 0.000 0.272 230 V C 0.616 176.691 176.094 -0.032 0.000 1.036 230 V CA -0.862 61.354 62.300 -0.140 0.000 0.880 230 V CB 0.941 32.536 31.823 -0.380 0.000 0.991 230 V HN 0.845 nan 8.190 nan 0.000 0.460 231 A N 4.440 127.262 122.820 0.004 0.000 2.366 231 A HA 0.740 5.060 4.320 -0.000 0.000 0.272 231 A C 0.498 178.134 177.584 0.087 0.000 1.135 231 A CA -0.114 51.948 52.037 0.041 0.000 0.804 231 A CB 0.409 19.429 19.000 0.033 0.000 1.064 231 A HN 0.975 nan 8.150 nan 0.000 0.499 232 T N 0.055 114.674 114.554 0.109 0.000 2.906 232 T HA 0.689 5.039 4.350 -0.000 0.000 0.295 232 T C -2.004 172.765 174.700 0.114 0.000 1.061 232 T CA -1.302 60.889 62.100 0.151 0.000 1.000 232 T CB 1.829 70.826 68.868 0.215 0.000 1.103 232 T HN 0.370 nan 8.240 nan 0.000 0.486 233 P HA 0.223 nan 4.420 nan 0.000 0.225 233 P C 0.722 178.064 177.300 0.069 0.000 1.156 233 P CA 0.452 63.597 63.100 0.075 0.000 0.787 233 P CB -0.017 31.722 31.700 0.064 0.000 0.802 234 G N -1.938 106.923 108.800 0.102 0.000 3.022 234 G HA2 0.405 4.365 3.960 -0.000 0.000 0.284 234 G HA3 0.405 4.365 3.960 -0.000 0.000 0.284 234 G C -1.229 173.762 174.900 0.153 0.000 1.375 234 G CA -0.692 44.447 45.100 0.065 0.000 0.902 234 G HN 0.089 nan 8.290 nan 0.000 0.538 235 H N -1.053 118.035 119.070 0.029 0.000 2.626 235 H HA -0.223 4.333 4.556 -0.000 0.000 0.317 235 H C 1.814 177.145 175.328 0.004 0.000 1.140 235 H CA 1.181 57.250 56.048 0.034 0.000 1.134 235 H CB -1.476 28.342 29.762 0.093 0.000 1.486 235 H HN 0.685 nan 8.280 nan 0.000 0.417 236 T N -4.317 110.237 114.554 0.001 0.000 3.085 236 T HA -0.076 4.274 4.350 -0.000 0.000 0.263 236 T C 1.883 176.498 174.700 -0.142 0.000 1.127 236 T CA 0.764 62.841 62.100 -0.038 0.000 1.103 236 T CB 0.107 68.962 68.868 -0.022 0.000 0.921 236 T HN 0.534 nan 8.240 nan 0.000 0.510 237 S N 0.052 115.582 115.700 -0.282 0.000 2.557 237 S HA 0.372 4.842 4.470 -0.000 0.000 0.223 237 S C 0.234 174.924 174.600 0.151 0.000 0.969 237 S CA -0.666 57.410 58.200 -0.206 0.000 0.927 237 S CB -0.158 62.685 63.200 -0.595 0.000 0.806 237 S HN 0.283 nan 8.310 nan 0.000 0.489 238 V N 2.198 122.191 119.914 0.132 0.000 2.439 238 V HA 0.573 4.693 4.120 -0.000 0.000 0.282 238 V C 0.102 176.206 176.094 0.016 0.000 1.039 238 V CA -0.503 61.892 62.300 0.159 0.000 0.913 238 V CB 1.456 33.404 31.823 0.210 0.000 0.983 238 V HN 0.430 nan 8.190 nan 0.000 0.460 239 S N 3.535 119.095 115.700 -0.233 0.000 2.498 239 S HA 0.683 5.153 4.470 -0.000 0.000 0.324 239 S C 0.171 174.647 174.600 -0.207 0.000 1.071 239 S CA -0.106 57.866 58.200 -0.380 0.000 1.113 239 S CB 0.658 63.216 63.200 -1.070 0.000 0.976 239 S HN 1.062 nan 8.310 nan 0.000 0.462 240 G N 5.916 114.674 108.800 -0.070 0.000 4.332 240 G HA2 0.423 4.383 3.960 -0.000 0.000 0.321 240 G HA3 0.423 4.383 3.960 -0.000 0.000 0.321 240 G C -2.955 171.883 174.900 -0.103 0.000 1.439 240 G CA -1.081 44.014 45.100 -0.009 0.000 0.900 240 G HN 0.553 nan 8.290 nan 0.000 0.515 241 P HA 0.093 nan 4.420 nan 0.000 0.276 241 P C -0.548 176.628 177.300 -0.206 0.000 1.261 241 P CA -0.348 62.608 63.100 -0.240 0.000 0.800 241 P CB 1.042 32.540 31.700 -0.335 0.000 1.066 242 H N 0.009 118.855 119.070 -0.373 0.000 2.878 242 H HA 0.357 4.913 4.556 -0.000 0.000 0.290 242 H C -0.175 174.954 175.328 -0.332 0.000 1.065 242 H CA -0.717 55.140 56.048 -0.319 0.000 1.477 242 H CB 0.329 29.909 29.762 -0.303 0.000 1.484 242 H HN 0.190 nan 8.280 nan 0.000 0.504 243 V N 2.727 122.556 119.914 -0.142 0.000 3.141 243 V HA 0.623 4.743 4.120 -0.000 0.000 0.312 243 V C -0.745 175.092 176.094 -0.430 0.000 1.157 243 V CA -1.291 60.726 62.300 -0.472 0.000 1.041 243 V CB 2.160 33.630 31.823 -0.587 0.000 1.071 243 V HN 0.820 nan 8.190 nan 0.000 0.441 244 R N 0.862 120.973 120.500 -0.649 0.000 2.538 244 R HA 0.536 4.876 4.340 -0.000 0.000 0.292 244 R C -2.119 173.889 176.300 -0.486 0.000 1.008 244 R CA -0.583 55.274 56.100 -0.405 0.000 0.896 244 R CB 1.872 32.000 30.300 -0.287 0.000 1.187 244 R HN 0.870 nan 8.270 nan 0.000 0.440 245 Y N 2.038 122.299 120.300 -0.064 0.000 2.341 245 Y HA 0.289 4.839 4.550 -0.000 0.000 0.340 245 Y C 0.118 176.027 175.900 0.014 0.000 0.997 245 Y CA -0.175 57.947 58.100 0.036 0.000 1.149 245 Y CB 2.250 40.761 38.460 0.084 0.000 1.171 245 Y HN 0.380 nan 8.280 nan 0.000 0.494 246 T N 3.623 118.260 114.554 0.138 0.000 2.809 246 T HA 0.203 4.553 4.350 -0.000 0.000 0.284 246 T C -0.193 174.566 174.700 0.098 0.000 0.992 246 T CA -1.179 60.973 62.100 0.087 0.000 0.957 246 T CB 0.265 69.150 68.868 0.029 0.000 0.942 246 T HN 0.714 nan 8.240 nan 0.000 0.439 247 N N 0.967 119.719 118.700 0.087 0.000 2.698 247 N HA -0.136 4.604 4.740 -0.000 0.000 0.258 247 N C -0.406 175.161 175.510 0.095 0.000 0.978 247 N CA -0.129 52.968 53.050 0.078 0.000 0.777 247 N CB -0.696 37.823 38.487 0.054 0.000 0.907 247 N HN 0.327 nan 8.380 nan 0.000 0.543 248 V N 1.293 121.281 119.914 0.123 0.000 2.405 248 V HA 0.137 4.257 4.120 -0.000 0.000 0.264 248 V C 0.877 177.036 176.094 0.107 0.000 1.048 248 V CA 0.072 62.452 62.300 0.133 0.000 0.966 248 V CB 0.709 32.642 31.823 0.183 0.000 1.015 248 V HN 0.237 nan 8.190 nan 0.000 0.477 249 R N 3.944 124.502 120.500 0.097 0.000 2.346 249 R HA 0.729 5.069 4.340 -0.000 0.000 0.311 249 R C -0.686 175.678 176.300 0.106 0.000 0.983 249 R CA -0.511 55.646 56.100 0.096 0.000 0.880 249 R CB 1.931 32.273 30.300 0.070 0.000 1.100 249 R HN 0.638 nan 8.270 nan 0.000 0.453 250 V N 0.031 120.026 119.914 0.135 0.000 2.962 250 V HA 0.647 4.767 4.120 -0.000 0.000 0.313 250 V C -2.572 173.627 176.094 0.175 0.000 1.099 250 V CA -2.819 59.567 62.300 0.143 0.000 0.971 250 V CB 2.143 34.043 31.823 0.128 0.000 1.028 250 V HN 0.602 nan 8.190 nan 0.000 0.430 251 P HA 0.205 nan 4.420 nan 0.000 0.274 251 P C 0.923 178.354 177.300 0.219 0.000 1.256 251 P CA 0.504 63.700 63.100 0.160 0.000 0.795 251 P CB 0.747 32.523 31.700 0.127 0.000 1.038 252 T N -2.169 112.514 114.554 0.215 0.000 2.995 252 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 252 T C 1.503 176.307 174.700 0.173 0.000 1.091 252 T CA 1.016 63.277 62.100 0.268 0.000 1.128 252 T CB -0.767 68.240 68.868 0.232 0.000 0.891 252 T HN 0.532 nan 8.240 nan 0.000 0.492 253 K N 1.603 122.093 120.400 0.151 0.000 2.281 253 K HA -0.092 4.228 4.320 -0.000 0.000 0.203 253 K C 1.961 178.681 176.600 0.200 0.000 1.046 253 K CA 1.431 57.802 56.287 0.139 0.000 0.938 253 K CB -0.572 32.025 32.500 0.162 0.000 0.737 253 K HN 0.373 nan 8.250 nan 0.000 0.458 254 N N 1.079 119.887 118.700 0.179 0.000 2.459 254 N HA -0.037 4.703 4.740 -0.000 0.000 0.181 254 N C -0.331 175.110 175.510 -0.115 0.000 1.046 254 N CA 0.350 53.410 53.050 0.017 0.000 0.904 254 N CB 0.164 38.679 38.487 0.047 0.000 0.964 254 N HN 0.003 nan 8.380 nan 0.000 0.444 255 V N 2.513 122.386 119.914 -0.069 0.000 2.479 255 V HA -0.056 4.064 4.120 -0.000 0.000 0.281 255 V C 1.180 177.211 176.094 -0.105 0.000 1.031 255 V CA 0.185 62.362 62.300 -0.205 0.000 1.038 255 V CB 1.272 32.934 31.823 -0.269 0.000 0.981 255 V HN 0.171 nan 8.190 nan 0.000 0.478 256 L N 5.904 126.962 121.223 -0.275 0.000 2.200 256 L HA 0.289 4.629 4.340 -0.000 0.000 0.200 256 L C 0.834 177.579 176.870 -0.209 0.000 1.072 256 L CA 1.503 56.131 54.840 -0.354 0.000 0.787 256 L CB 0.418 42.166 42.059 -0.519 0.000 0.957 256 L HN 0.649 nan 8.230 nan 0.000 0.459 257 C N 1.503 120.667 119.300 -0.227 0.000 2.322 257 C HA 0.555 5.015 4.460 -0.000 0.000 0.324 257 C C -2.337 172.538 174.990 -0.192 0.000 1.249 257 C CA -1.541 57.374 59.018 -0.172 0.000 1.453 257 C CB 0.827 28.468 27.740 -0.164 0.000 2.145 257 C HN 0.240 nan 8.230 nan 0.000 0.466 258 P HA 0.215 nan 4.420 nan 0.000 0.272 258 P C -0.217 177.014 177.300 -0.115 0.000 1.240 258 P CA 0.055 63.073 63.100 -0.138 0.000 0.791 258 P CB 0.500 32.172 31.700 -0.047 0.000 0.978 259 A N 1.577 124.338 122.820 -0.100 0.000 2.580 259 A HA 0.360 4.680 4.320 -0.000 0.000 0.244 259 A C 1.515 179.091 177.584 -0.014 0.000 1.045 259 A CA 1.031 53.037 52.037 -0.051 0.000 0.761 259 A CB -1.718 17.288 19.000 0.011 0.000 0.962 259 A HN 0.883 nan 8.150 nan 0.000 0.512 260 G N 1.527 110.323 108.800 -0.007 0.000 2.194 260 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.236 260 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.236 260 G C 0.634 175.539 174.900 0.008 0.000 0.987 260 G CA 0.736 45.844 45.100 0.014 0.000 0.635 260 G HN 0.784 nan 8.290 nan 0.000 0.520 261 Q N -0.398 119.391 119.800 -0.019 0.000 2.280 261 Q HA 0.317 4.657 4.340 -0.000 0.000 0.228 261 Q C 2.543 178.520 176.000 -0.039 0.000 0.857 261 Q CA 0.578 56.367 55.803 -0.024 0.000 0.939 261 Q CB 0.499 29.214 28.738 -0.038 0.000 1.114 261 Q HN 0.457 nan 8.270 nan 0.000 0.514 262 G N 1.100 109.864 108.800 -0.059 0.000 2.418 262 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 262 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 262 G C 1.444 176.311 174.900 -0.056 0.000 1.158 262 G CA 0.914 45.960 45.100 -0.091 0.000 0.771 262 G HN 0.377 nan 8.290 nan 0.000 0.545 263 A N 0.883 123.708 122.820 0.009 0.000 1.902 263 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 263 A C 2.221 179.846 177.584 0.069 0.000 1.181 263 A CA 2.180 54.233 52.037 0.028 0.000 0.623 263 A CB -0.453 18.656 19.000 0.181 0.000 0.818 263 A HN 0.415 nan 8.150 nan 0.000 0.443 264 K N -0.191 120.284 120.400 0.124 0.000 2.097 264 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 264 K C 1.744 178.388 176.600 0.073 0.000 1.049 264 K CA 1.683 58.063 56.287 0.155 0.000 0.933 264 K CB -0.245 32.308 32.500 0.089 0.000 0.717 264 K HN 0.247 nan 8.250 nan 0.000 0.442 265 V N 1.352 121.254 119.914 -0.020 0.000 2.379 265 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 265 V C 2.516 178.531 176.094 -0.131 0.000 1.044 265 V CA 1.768 64.019 62.300 -0.082 0.000 1.036 265 V CB -0.500 31.250 31.823 -0.121 0.000 0.664 265 V HN 0.493 nan 8.190 nan 0.000 0.453 266 A N -0.174 122.544 122.820 -0.169 0.000 1.877 266 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 266 A C 1.985 179.409 177.584 -0.268 0.000 1.186 266 A CA 1.864 53.718 52.037 -0.306 0.000 0.620 266 A CB -0.706 18.171 19.000 -0.205 0.000 0.822 266 A HN 0.463 nan 8.150 nan 0.000 0.443 267 F N 0.419 120.431 119.950 0.103 0.000 2.325 267 F HA 0.058 4.585 4.527 -0.000 0.000 0.299 267 F C 2.552 178.410 175.800 0.097 0.000 1.090 267 F CA 0.332 58.443 58.000 0.184 0.000 1.392 267 F CB -1.085 38.064 39.000 0.249 0.000 1.053 267 F HN 0.258 nan 8.300 nan 0.000 0.521 268 G N -0.293 108.619 108.800 0.187 0.000 2.418 268 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 268 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 268 G C 1.963 176.870 174.900 0.012 0.000 1.158 268 G CA 0.851 46.018 45.100 0.112 0.000 0.771 268 G HN 0.419 nan 8.290 nan 0.000 0.545 269 A N 0.511 123.241 122.820 -0.150 0.000 1.908 269 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 269 A C 2.104 179.538 177.584 -0.249 0.000 1.181 269 A CA 1.453 53.320 52.037 -0.283 0.000 0.627 269 A CB -0.554 18.141 19.000 -0.508 0.000 0.818 269 A HN 0.289 nan 8.150 nan 0.000 0.445 270 F N 0.565 120.476 119.950 -0.064 0.000 2.502 270 F HA -0.040 4.486 4.527 -0.000 0.000 0.298 270 F C 1.803 177.563 175.800 -0.066 0.000 1.111 270 F CA 0.806 58.749 58.000 -0.096 0.000 1.445 270 F CB -0.339 38.593 39.000 -0.113 0.000 1.081 270 F HN 0.208 nan 8.300 nan 0.000 0.558 271 D N -0.216 120.269 120.400 0.143 0.000 2.123 271 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 271 D C 2.572 178.899 176.300 0.044 0.000 0.976 271 D CA 1.439 55.490 54.000 0.085 0.000 0.831 271 D CB -0.847 40.039 40.800 0.143 0.000 0.974 271 D HN 0.302 nan 8.370 nan 0.000 0.469 272 G N 0.678 109.498 108.800 0.034 0.000 2.418 272 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 272 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 272 G C 1.742 176.631 174.900 -0.019 0.000 1.158 272 G CA 1.534 46.634 45.100 -0.000 0.000 0.771 272 G HN 0.410 nan 8.290 nan 0.000 0.545 273 S N 1.236 116.924 115.700 -0.019 0.000 2.402 273 S HA 0.153 4.623 4.470 -0.000 0.000 0.229 273 S C 2.589 177.175 174.600 -0.024 0.000 1.021 273 S CA 1.419 59.601 58.200 -0.030 0.000 0.974 273 S CB -0.421 62.774 63.200 -0.009 0.000 0.800 273 S HN 0.593 nan 8.310 nan 0.000 0.484 274 A N 1.688 124.508 122.820 -0.001 0.000 1.908 274 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 274 A C 2.414 180.001 177.584 0.005 0.000 1.181 274 A CA 1.830 53.863 52.037 -0.006 0.000 0.627 274 A CB -1.220 17.773 19.000 -0.012 0.000 0.818 274 A HN 0.484 nan 8.150 nan 0.000 0.445 275 V N -0.398 119.518 119.914 0.003 0.000 2.343 275 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 275 V C 2.425 178.526 176.094 0.011 0.000 1.051 275 V CA 1.762 64.073 62.300 0.017 0.000 1.036 275 V CB -0.704 31.126 31.823 0.012 0.000 0.654 275 V HN 0.468 nan 8.190 nan 0.000 0.451 276 L N -0.474 120.731 121.223 -0.029 0.000 2.217 276 L HA -0.029 4.311 4.340 -0.000 0.000 0.211 276 L C 2.337 179.168 176.870 -0.065 0.000 1.107 276 L CA 1.307 56.102 54.840 -0.074 0.000 0.783 276 L CB -0.943 41.029 42.059 -0.145 0.000 0.919 276 L HN 0.152 nan 8.230 nan 0.000 0.442 277 V N -0.228 119.673 119.914 -0.021 0.000 2.407 277 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 277 V C 2.571 178.692 176.094 0.044 0.000 1.055 277 V CA 1.677 64.000 62.300 0.037 0.000 1.049 277 V CB -1.284 30.598 31.823 0.098 0.000 0.662 277 V HN 0.548 nan 8.190 nan 0.000 0.455 278 G N -0.073 108.759 108.800 0.053 0.000 2.476 278 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 278 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 278 G C 1.757 176.702 174.900 0.075 0.000 1.164 278 G CA 1.139 46.288 45.100 0.082 0.000 0.768 278 G HN 0.618 nan 8.290 nan 0.000 0.560 279 A N 0.370 123.226 122.820 0.059 0.000 1.969 279 A HA 0.091 4.411 4.320 -0.000 0.000 0.218 279 A C 2.473 180.078 177.584 0.035 0.000 1.169 279 A CA 1.717 53.798 52.037 0.074 0.000 0.635 279 A CB -0.324 18.724 19.000 0.079 0.000 0.810 279 A HN 0.410 nan 8.150 nan 0.000 0.445 280 M N -0.561 118.992 119.600 -0.078 0.000 2.117 280 M HA -0.087 4.393 4.480 -0.000 0.000 0.262 280 M C 2.335 178.652 176.300 0.029 0.000 1.065 280 M CA 1.414 56.577 55.300 -0.229 0.000 1.114 280 M CB -0.698 31.550 32.600 -0.586 0.000 1.361 280 M HN 0.484 nan 8.290 nan 0.000 0.408 281 G N 0.228 109.057 108.800 0.048 0.000 2.446 281 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 281 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 281 G C 1.481 176.441 174.900 0.100 0.000 1.168 281 G CA 1.112 46.262 45.100 0.083 0.000 0.771 281 G HN 0.325 nan 8.290 nan 0.000 0.551 282 V N 1.630 121.601 119.914 0.095 0.000 2.332 282 V HA -0.106 4.013 4.120 -0.000 0.000 0.248 282 V C 3.138 179.303 176.094 0.119 0.000 1.055 282 V CA 2.058 64.409 62.300 0.085 0.000 1.038 282 V CB -1.160 30.698 31.823 0.059 0.000 0.651 282 V HN 0.457 nan 8.190 nan 0.000 0.450 283 G N -0.228 108.674 108.800 0.170 0.000 2.418 283 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.217 283 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.217 283 G C 1.577 176.607 174.900 0.217 0.000 1.158 283 G CA 0.914 46.150 45.100 0.226 0.000 0.771 283 G HN 0.471 nan 8.290 nan 0.000 0.545 284 L N -0.290 121.072 121.223 0.232 0.000 2.093 284 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 284 L C 3.078 180.035 176.870 0.144 0.000 1.085 284 L CA 0.847 55.798 54.840 0.186 0.000 0.755 284 L CB -0.346 41.827 42.059 0.191 0.000 0.904 284 L HN 0.245 nan 8.230 nan 0.000 0.435 285 M N -0.664 119.014 119.600 0.129 0.000 2.086 285 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 285 M C 2.465 178.857 176.300 0.152 0.000 1.067 285 M CA 1.650 57.020 55.300 0.117 0.000 1.116 285 M CB -0.425 32.221 32.600 0.075 0.000 1.348 285 M HN 0.125 nan 8.290 nan 0.000 0.407 286 R N 0.870 121.451 120.500 0.134 0.000 2.083 286 R HA -0.162 4.178 4.340 -0.000 0.000 0.237 286 R C 2.132 178.558 176.300 0.209 0.000 1.137 286 R CA 2.012 58.207 56.100 0.158 0.000 0.951 286 R CB -0.433 29.945 30.300 0.130 0.000 0.851 286 R HN 0.340 nan 8.270 nan 0.000 0.434 287 A N 0.475 123.394 122.820 0.165 0.000 1.902 287 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 287 A C 2.405 180.066 177.584 0.129 0.000 1.181 287 A CA 1.731 53.845 52.037 0.128 0.000 0.623 287 A CB -0.936 18.115 19.000 0.084 0.000 0.818 287 A HN 0.587 nan 8.150 nan 0.000 0.443 288 A N -1.205 121.711 122.820 0.159 0.000 1.873 288 A HA -0.010 4.310 4.320 -0.000 0.000 0.215 288 A C 2.068 179.797 177.584 0.242 0.000 1.186 288 A CA 1.529 53.684 52.037 0.197 0.000 0.616 288 A CB -0.738 18.375 19.000 0.189 0.000 0.823 288 A HN 0.683 nan 8.150 nan 0.000 0.442 289 F N 1.306 121.320 119.950 0.106 0.000 2.095 289 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 289 F C 1.809 177.684 175.800 0.126 0.000 1.104 289 F CA 2.258 60.314 58.000 0.095 0.000 1.232 289 F CB -0.202 38.835 39.000 0.062 0.000 0.987 289 F HN 0.233 nan 8.300 nan 0.000 0.475 290 D N 0.528 121.088 120.400 0.266 0.000 2.123 290 D HA -0.178 4.462 4.640 -0.000 0.000 0.196 290 D C 2.362 178.710 176.300 0.080 0.000 0.992 290 D CA 1.587 55.682 54.000 0.159 0.000 0.833 290 D CB -0.736 40.179 40.800 0.192 0.000 0.954 290 D HN 0.402 nan 8.370 nan 0.000 0.455 291 A N 0.769 123.650 122.820 0.103 0.000 1.930 291 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 291 A C 2.278 180.069 177.584 0.345 0.000 1.175 291 A CA 2.049 54.155 52.037 0.115 0.000 0.627 291 A CB -0.612 18.296 19.000 -0.154 0.000 0.815 291 A HN 0.233 nan 8.150 nan 0.000 0.443 292 A N -0.612 122.414 122.820 0.343 0.000 1.898 292 A HA 0.026 4.346 4.320 -0.000 0.000 0.216 292 A C 2.105 179.828 177.584 0.232 0.000 1.181 292 A CA 1.596 53.797 52.037 0.274 0.000 0.620 292 A CB -0.570 18.450 19.000 0.034 0.000 0.819 292 A HN 0.581 nan 8.150 nan 0.000 0.442 293 L N 0.001 121.198 121.223 -0.042 0.000 2.046 293 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 293 L C 2.309 179.224 176.870 0.075 0.000 1.077 293 L CA 2.542 57.344 54.840 -0.065 0.000 0.747 293 L CB -0.491 41.376 42.059 -0.320 0.000 0.896 293 L HN 0.466 nan 8.230 nan 0.000 0.432 294 K N -1.286 119.177 120.400 0.105 0.000 2.032 294 K HA -0.273 4.047 4.320 -0.000 0.000 0.209 294 K C 2.227 178.921 176.600 0.155 0.000 1.048 294 K CA 2.024 58.382 56.287 0.117 0.000 0.927 294 K CB -0.486 32.086 32.500 0.120 0.000 0.712 294 K HN 0.311 nan 8.250 nan 0.000 0.441 295 F N 1.082 121.094 119.950 0.102 0.000 2.095 295 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 295 F C 1.981 177.784 175.800 0.005 0.000 1.104 295 F CA 1.723 59.779 58.000 0.093 0.000 1.232 295 F CB -0.403 38.708 39.000 0.185 0.000 0.987 295 F HN 0.117 nan 8.300 nan 0.000 0.475 296 A N 0.182 123.087 122.820 0.143 0.000 1.902 296 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 296 A C 2.181 179.662 177.584 -0.171 0.000 1.181 296 A CA 1.725 53.677 52.037 -0.142 0.000 0.623 296 A CB -0.645 18.331 19.000 -0.040 0.000 0.818 296 A HN 0.469 nan 8.150 nan 0.000 0.443 297 K N -0.402 119.959 120.400 -0.065 0.000 2.365 297 K HA -0.090 4.230 4.320 -0.000 0.000 0.199 297 K C 1.479 178.023 176.600 -0.093 0.000 1.045 297 K CA 1.297 57.548 56.287 -0.061 0.000 0.962 297 K CB 0.051 32.546 32.500 -0.009 0.000 0.759 297 K HN 0.872 nan 8.250 nan 0.000 0.469 298 E N -0.117 120.001 120.200 -0.137 0.000 2.562 298 E HA 0.021 4.371 4.350 -0.000 0.000 0.214 298 E C -0.398 176.060 176.600 -0.237 0.000 0.979 298 E CA -0.053 56.260 56.400 -0.146 0.000 1.002 298 E CB 0.595 30.237 29.700 -0.096 0.000 1.048 298 E HN -0.114 nan 8.360 nan 0.000 0.488 299 D N 1.381 121.557 120.400 -0.373 0.000 2.386 299 D HA 0.041 4.681 4.640 -0.000 0.000 0.247 299 D C -0.385 175.660 176.300 -0.426 0.000 1.336 299 D CA -0.474 53.241 54.000 -0.474 0.000 0.976 299 D CB 0.780 41.058 40.800 -0.870 0.000 1.257 299 D HN 0.330 nan 8.370 nan 0.000 0.570 300 N N 2.261 120.799 118.700 -0.270 0.000 2.383 300 N HA -0.037 4.703 4.740 -0.000 0.000 0.192 300 N C 0.025 175.430 175.510 -0.176 0.000 1.141 300 N CA -0.462 52.456 53.050 -0.220 0.000 0.851 300 N CB 0.248 38.644 38.487 -0.151 0.000 0.976 300 N HN 0.168 nan 8.380 nan 0.000 0.465 301 R N -0.202 120.192 120.500 -0.177 0.000 3.641 301 R HA -0.152 4.188 4.340 -0.000 0.000 0.286 301 R C 0.874 177.137 176.300 -0.062 0.000 1.153 301 R CA 0.861 56.905 56.100 -0.093 0.000 0.775 301 R CB -2.408 27.860 30.300 -0.053 0.000 1.215 301 R HN 0.728 nan 8.270 nan 0.000 0.474 302 G N -1.614 107.144 108.800 -0.071 0.000 2.147 302 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 302 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 302 G C 0.533 175.405 174.900 -0.046 0.000 1.005 302 G CA 0.615 45.685 45.100 -0.050 0.000 0.713 302 G HN 0.814 nan 8.290 nan 0.000 0.515 303 G N -1.660 107.105 108.800 -0.059 0.000 2.547 303 G HA2 0.714 4.674 3.960 -0.000 0.000 0.291 303 G HA3 0.714 4.674 3.960 -0.000 0.000 0.291 303 G C 1.110 175.983 174.900 -0.044 0.000 1.211 303 G CA 0.318 45.388 45.100 -0.050 0.000 0.950 303 G HN 1.243 nan 8.290 nan 0.000 0.504 304 A N -1.071 121.728 122.820 -0.035 0.000 2.123 304 A HA 0.426 4.746 4.320 -0.000 0.000 0.214 304 A C 1.059 178.624 177.584 -0.032 0.000 1.152 304 A CA 1.442 53.462 52.037 -0.029 0.000 0.728 304 A CB -0.511 18.477 19.000 -0.021 0.000 0.814 304 A HN 1.494 nan 8.150 nan 0.000 0.464 305 V N -5.298 114.592 119.914 -0.040 0.000 3.141 305 V HA 0.646 4.766 4.120 -0.000 0.000 0.312 305 V C -3.275 172.780 176.094 -0.065 0.000 1.157 305 V CA -3.024 59.251 62.300 -0.042 0.000 1.041 305 V CB 1.206 33.011 31.823 -0.030 0.000 1.071 305 V HN -0.025 nan 8.190 nan 0.000 0.441 306 P HA 0.157 nan 4.420 nan 0.000 0.268 306 P C 0.633 177.852 177.300 -0.135 0.000 1.208 306 P CA -0.143 62.898 63.100 -0.098 0.000 0.777 306 P CB 0.513 32.170 31.700 -0.071 0.000 0.875 307 L N 3.095 124.181 121.223 -0.227 0.000 2.127 307 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 307 L C 1.824 178.496 176.870 -0.330 0.000 1.089 307 L CA 1.701 56.318 54.840 -0.371 0.000 0.757 307 L CB -1.022 40.663 42.059 -0.623 0.000 0.899 307 L HN 0.373 nan 8.230 nan 0.000 0.434 308 L N -0.944 120.170 121.223 -0.180 0.000 2.456 308 L HA -0.153 4.187 4.340 -0.000 0.000 0.224 308 L C 2.062 178.967 176.870 0.058 0.000 1.148 308 L CA 0.706 55.567 54.840 0.034 0.000 0.825 308 L CB -0.322 41.781 42.059 0.074 0.000 0.937 308 L HN 0.383 nan 8.230 nan 0.000 0.450 309 E N -0.282 119.919 120.200 0.002 0.000 2.481 309 E HA -0.018 4.332 4.350 -0.000 0.000 0.195 309 E C 0.165 176.785 176.600 0.033 0.000 1.047 309 E CA -0.106 56.305 56.400 0.018 0.000 0.867 309 E CB 0.377 30.076 29.700 -0.003 0.000 0.858 309 E HN 0.268 nan 8.360 nan 0.000 0.513 310 R N 1.510 122.035 120.500 0.043 0.000 2.288 310 R HA 0.062 4.402 4.340 -0.000 0.000 0.330 310 R C 0.889 177.255 176.300 0.110 0.000 1.069 310 R CA 0.177 56.319 56.100 0.069 0.000 0.941 310 R CB 0.255 30.602 30.300 0.078 0.000 0.998 310 R HN 0.284 nan 8.270 nan 0.000 0.452 311 Q N 1.837 121.682 119.800 0.075 0.000 2.173 311 Q HA -0.243 4.097 4.340 -0.000 0.000 0.208 311 Q C 1.741 177.788 176.000 0.078 0.000 0.989 311 Q CA 2.338 58.183 55.803 0.069 0.000 0.872 311 Q CB -0.039 28.725 28.738 0.044 0.000 0.909 311 Q HN 0.732 nan 8.270 nan 0.000 0.420 312 A N 0.461 123.333 122.820 0.086 0.000 1.855 312 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 312 A C 1.834 179.473 177.584 0.092 0.000 1.191 312 A CA 1.218 53.300 52.037 0.074 0.000 0.613 312 A CB -0.842 18.201 19.000 0.072 0.000 0.829 312 A HN 0.445 nan 8.150 nan 0.000 0.442 313 F N 0.926 120.879 119.950 0.005 0.000 2.102 313 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 313 F C 2.556 178.363 175.800 0.011 0.000 1.105 313 F CA 1.402 59.405 58.000 0.005 0.000 1.239 313 F CB -0.393 38.614 39.000 0.012 0.000 0.991 313 F HN 0.248 nan 8.300 nan 0.000 0.474 314 A N -0.062 122.892 122.820 0.223 0.000 1.908 314 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 314 A C 1.874 179.468 177.584 0.016 0.000 1.181 314 A CA 2.158 54.274 52.037 0.132 0.000 0.627 314 A CB -1.081 18.010 19.000 0.152 0.000 0.818 314 A HN 0.458 nan 8.150 nan 0.000 0.445 315 D N -0.611 119.795 120.400 0.010 0.000 2.144 315 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 315 D C 1.742 178.016 176.300 -0.043 0.000 0.978 315 D CA 0.543 54.541 54.000 -0.005 0.000 0.833 315 D CB -0.178 40.625 40.800 0.005 0.000 0.961 315 D HN 0.225 nan 8.370 nan 0.000 0.470 316 L N 0.393 121.552 121.223 -0.106 0.000 2.017 316 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 316 L C 2.297 179.081 176.870 -0.143 0.000 1.073 316 L CA 1.259 56.010 54.840 -0.147 0.000 0.745 316 L CB -0.986 40.931 42.059 -0.235 0.000 0.894 316 L HN 0.149 nan 8.230 nan 0.000 0.432 317 L N -0.891 120.199 121.223 -0.221 0.000 2.056 317 L HA -0.218 4.122 4.340 -0.000 0.000 0.207 317 L C 2.633 179.598 176.870 0.160 0.000 1.078 317 L CA 1.545 56.336 54.840 -0.083 0.000 0.749 317 L CB -0.402 41.542 42.059 -0.192 0.000 0.901 317 L HN 0.444 nan 8.230 nan 0.000 0.433 318 S N -0.635 115.126 115.700 0.102 0.000 2.402 318 S HA -0.110 4.360 4.470 -0.000 0.000 0.229 318 S C 2.035 176.669 174.600 0.056 0.000 1.021 318 S CA 0.889 59.155 58.200 0.110 0.000 0.974 318 S CB -0.905 62.338 63.200 0.072 0.000 0.800 318 S HN 0.441 nan 8.310 nan 0.000 0.484 319 G N 1.679 110.497 108.800 0.030 0.000 2.446 319 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 319 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 319 G C 1.449 176.362 174.900 0.022 0.000 1.168 319 G CA 1.094 46.202 45.100 0.014 0.000 0.771 319 G HN 0.480 nan 8.290 nan 0.000 0.551 320 V N 0.961 120.906 119.914 0.052 0.000 2.343 320 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 320 V C 2.710 178.822 176.094 0.030 0.000 1.051 320 V CA 2.289 64.635 62.300 0.077 0.000 1.036 320 V CB -0.402 31.520 31.823 0.164 0.000 0.654 320 V HN 0.343 nan 8.190 nan 0.000 0.451 321 K N 0.534 120.931 120.400 -0.005 0.000 2.063 321 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 321 K C 1.794 178.298 176.600 -0.161 0.000 1.048 321 K CA 1.725 57.844 56.287 -0.281 0.000 0.928 321 K CB -0.618 31.667 32.500 -0.358 0.000 0.713 321 K HN 0.454 nan 8.250 nan 0.000 0.442 322 I N 0.705 121.232 120.570 -0.071 0.000 2.179 322 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 322 I C 2.373 178.482 176.117 -0.013 0.000 1.088 322 I CA 1.231 62.503 61.300 -0.046 0.000 1.357 322 I CB -0.303 37.688 38.000 -0.015 0.000 1.051 322 I HN 0.246 nan 8.210 nan 0.000 0.409 323 Q N 0.110 119.919 119.800 0.016 0.000 2.124 323 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 323 Q C 2.316 178.367 176.000 0.084 0.000 0.977 323 Q CA 2.036 57.884 55.803 0.076 0.000 0.850 323 Q CB -0.729 28.020 28.738 0.019 0.000 0.901 323 Q HN 0.519 nan 8.270 nan 0.000 0.429 324 T N 1.577 116.129 114.554 -0.003 0.000 2.777 324 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 324 T C 1.608 176.267 174.700 -0.068 0.000 1.040 324 T CA 1.057 63.139 62.100 -0.029 0.000 1.141 324 T CB 0.004 68.816 68.868 -0.092 0.000 0.868 324 T HN 0.239 nan 8.240 nan 0.000 0.444 325 E N 1.443 121.578 120.200 -0.108 0.000 2.072 325 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 325 E C 2.620 179.143 176.600 -0.129 0.000 0.985 325 E CA 1.136 57.445 56.400 -0.152 0.000 0.801 325 E CB -0.576 29.027 29.700 -0.163 0.000 0.750 325 E HN 0.510 nan 8.360 nan 0.000 0.452 326 A N 1.763 124.548 122.820 -0.058 0.000 1.908 326 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 326 A C 2.465 179.992 177.584 -0.096 0.000 1.181 326 A CA 2.274 54.262 52.037 -0.081 0.000 0.627 326 A CB -0.684 18.314 19.000 -0.004 0.000 0.818 326 A HN 0.275 nan 8.150 nan 0.000 0.445 327 A N -0.445 122.452 122.820 0.128 0.000 1.883 327 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 327 A C 2.291 179.871 177.584 -0.008 0.000 1.186 327 A CA 1.885 54.041 52.037 0.198 0.000 0.624 327 A CB -0.532 18.629 19.000 0.267 0.000 0.822 327 A HN 0.556 nan 8.150 nan 0.000 0.444 328 R N -0.570 119.855 120.500 -0.125 0.000 2.075 328 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 328 R C 2.372 178.431 176.300 -0.401 0.000 1.126 328 R CA 1.366 57.266 56.100 -0.333 0.000 0.963 328 R CB -0.420 29.570 30.300 -0.517 0.000 0.858 328 R HN 0.451 nan 8.270 nan 0.000 0.435 329 A N 1.253 123.910 122.820 -0.270 0.000 1.883 329 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 329 A C 2.037 179.617 177.584 -0.006 0.000 1.186 329 A CA 1.440 53.416 52.037 -0.102 0.000 0.624 329 A CB -0.686 18.255 19.000 -0.099 0.000 0.822 329 A HN 0.388 nan 8.150 nan 0.000 0.444 330 L N -0.351 120.822 121.223 -0.084 0.000 2.017 330 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 330 L C 2.455 179.342 176.870 0.030 0.000 1.073 330 L CA 2.846 57.642 54.840 -0.073 0.000 0.745 330 L CB -1.180 40.742 42.059 -0.229 0.000 0.894 330 L HN 0.370 nan 8.230 nan 0.000 0.432 331 T N -1.212 113.377 114.554 0.058 0.000 2.720 331 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 331 T C 1.439 176.318 174.700 0.298 0.000 1.037 331 T CA 1.833 64.026 62.100 0.155 0.000 1.144 331 T CB -0.447 68.523 68.868 0.170 0.000 0.864 331 T HN 0.435 nan 8.240 nan 0.000 0.444 332 W N 1.807 123.119 121.300 0.020 0.000 2.388 332 W HA 0.119 4.779 4.660 -0.000 0.000 0.294 332 W C 2.405 178.926 176.519 0.002 0.000 1.212 332 W CA 0.192 57.544 57.345 0.012 0.000 1.271 332 W CB -0.974 28.495 29.460 0.016 0.000 1.126 332 W HN 0.187 nan 8.180 nan 0.000 0.535 333 K N 1.026 121.560 120.400 0.222 0.000 2.032 333 K HA -0.141 4.179 4.320 -0.000 0.000 0.209 333 K C 2.097 178.758 176.600 0.101 0.000 1.048 333 K CA 2.340 58.696 56.287 0.115 0.000 0.927 333 K CB -0.893 31.648 32.500 0.067 0.000 0.712 333 K HN -0.078 nan 8.250 nan 0.000 0.441 334 A N 0.575 123.446 122.820 0.084 0.000 1.902 334 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 334 A C 2.412 180.023 177.584 0.044 0.000 1.181 334 A CA 2.104 54.169 52.037 0.046 0.000 0.623 334 A CB -1.156 17.866 19.000 0.037 0.000 0.818 334 A HN 0.471 nan 8.150 nan 0.000 0.443 335 A N -1.212 121.653 122.820 0.074 0.000 1.883 335 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 335 A C 2.187 179.782 177.584 0.017 0.000 1.186 335 A CA 1.845 53.901 52.037 0.033 0.000 0.624 335 A CB -0.976 18.034 19.000 0.018 0.000 0.822 335 A HN 0.764 nan 8.150 nan 0.000 0.444 336 H N -0.298 118.745 119.070 -0.046 0.000 2.326 336 H HA -0.004 4.551 4.556 -0.000 0.000 0.301 336 H C 2.327 177.624 175.328 -0.051 0.000 1.081 336 H CA 1.577 57.585 56.048 -0.068 0.000 1.334 336 H CB -0.130 29.580 29.762 -0.086 0.000 1.385 336 H HN 0.412 nan 8.280 nan 0.000 0.504 337 A N 1.408 124.224 122.820 -0.007 0.000 1.933 337 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 337 A C 2.519 180.051 177.584 -0.088 0.000 1.175 337 A CA 1.374 53.376 52.037 -0.058 0.000 0.628 337 A CB -0.511 18.483 19.000 -0.010 0.000 0.814 337 A HN 0.347 nan 8.150 nan 0.000 0.444 338 M N -0.333 119.229 119.600 -0.063 0.000 2.149 338 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 338 M C 1.639 177.920 176.300 -0.032 0.000 1.064 338 M CA 1.625 56.903 55.300 -0.036 0.000 1.102 338 M CB -1.120 31.471 32.600 -0.015 0.000 1.369 338 M HN 0.551 nan 8.290 nan 0.000 0.408 339 E N -1.260 118.880 120.200 -0.099 0.000 2.431 339 E HA 0.044 4.394 4.350 -0.000 0.000 0.200 339 E C 0.953 177.456 176.600 -0.162 0.000 0.995 339 E CA 0.143 56.477 56.400 -0.110 0.000 0.915 339 E CB 0.391 30.022 29.700 -0.116 0.000 0.930 339 E HN 0.528 nan 8.360 nan 0.000 0.496 340 N N -0.123 118.423 118.700 -0.256 0.000 2.118 340 N HA 0.097 4.836 4.740 -0.000 0.000 0.226 340 N C 0.646 176.055 175.510 -0.169 0.000 1.305 340 N CA 0.713 53.595 53.050 -0.279 0.000 0.890 340 N CB 2.021 40.158 38.487 -0.583 0.000 1.118 340 N HN 0.114 nan 8.380 nan 0.000 0.511 341 G N 2.476 111.204 108.800 -0.120 0.000 2.601 341 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.252 341 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.252 341 G C -2.621 172.261 174.900 -0.030 0.000 1.294 341 G CA -0.480 44.585 45.100 -0.058 0.000 0.912 341 G HN 0.140 nan 8.290 nan 0.000 0.574 342 P HA 0.533 nan 4.420 nan 0.000 0.286 342 P C 0.643 177.932 177.300 -0.019 0.000 1.293 342 P CA 1.459 64.555 63.100 -0.007 0.000 0.770 342 P CB 0.363 32.070 31.700 0.010 0.000 1.206 343 G N -0.904 107.887 108.800 -0.015 0.000 2.662 343 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.686 343 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.686 343 G C -0.836 174.055 174.900 -0.015 0.000 1.271 343 G CA -0.647 44.437 45.100 -0.028 0.000 0.816 343 G HN 0.588 nan 8.290 nan 0.000 0.608 344 D N -1.132 119.258 120.400 -0.016 0.000 2.383 344 D HA 0.093 4.733 4.640 -0.000 0.000 0.233 344 D C 1.366 177.688 176.300 0.037 0.000 1.233 344 D CA 0.267 54.278 54.000 0.018 0.000 0.881 344 D CB 0.171 40.972 40.800 0.002 0.000 1.212 344 D HN 0.507 nan 8.370 nan 0.000 0.467 345 Y N 1.071 121.362 120.300 -0.015 0.000 2.224 345 Y HA -0.227 4.322 4.550 -0.000 0.000 0.289 345 Y C 1.688 177.587 175.900 -0.001 0.000 1.146 345 Y CA 1.768 59.862 58.100 -0.009 0.000 1.182 345 Y CB 0.045 38.505 38.460 -0.001 0.000 0.983 345 Y HN 0.343 nan 8.280 nan 0.000 0.524 346 D N -0.023 120.357 120.400 -0.033 0.000 2.123 346 D HA -0.204 4.436 4.640 -0.000 0.000 0.196 346 D C 2.271 178.494 176.300 -0.129 0.000 0.992 346 D CA 1.568 55.521 54.000 -0.077 0.000 0.833 346 D CB -0.545 40.267 40.800 0.020 0.000 0.954 346 D HN 0.484 nan 8.370 nan 0.000 0.455 347 A N 0.817 123.564 122.820 -0.121 0.000 1.898 347 A HA -0.148 4.171 4.320 -0.000 0.000 0.216 347 A C 2.192 179.683 177.584 -0.154 0.000 1.181 347 A CA 1.106 53.057 52.037 -0.142 0.000 0.620 347 A CB -0.328 18.589 19.000 -0.139 0.000 0.819 347 A HN 0.123 nan 8.150 nan 0.000 0.442 348 R N -0.894 119.494 120.500 -0.187 0.000 2.075 348 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 348 R C 2.486 178.639 176.300 -0.245 0.000 1.126 348 R CA 1.501 57.487 56.100 -0.189 0.000 0.963 348 R CB -0.330 29.863 30.300 -0.179 0.000 0.858 348 R HN 0.582 nan 8.270 nan 0.000 0.435 349 R N 1.422 121.671 120.500 -0.419 0.000 2.091 349 R HA -0.200 4.140 4.340 -0.000 0.000 0.238 349 R C 2.098 178.291 176.300 -0.179 0.000 1.136 349 R CA 1.871 57.737 56.100 -0.390 0.000 0.959 349 R CB -0.156 29.826 30.300 -0.528 0.000 0.856 349 R HN 0.265 nan 8.270 nan 0.000 0.437 350 E N 0.286 120.407 120.200 -0.131 0.000 2.118 350 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 350 E C 1.914 178.485 176.600 -0.049 0.000 0.992 350 E CA 1.411 57.776 56.400 -0.059 0.000 0.804 350 E CB -0.038 29.653 29.700 -0.016 0.000 0.741 350 E HN 0.456 nan 8.360 nan 0.000 0.458 351 L N 0.012 121.198 121.223 -0.062 0.000 2.109 351 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 351 L C 2.668 179.524 176.870 -0.024 0.000 1.086 351 L CA 0.806 55.625 54.840 -0.035 0.000 0.760 351 L CB -0.502 41.538 42.059 -0.032 0.000 0.910 351 L HN 0.176 nan 8.230 nan 0.000 0.437 352 A N 0.702 123.496 122.820 -0.043 0.000 1.858 352 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 352 A C 2.246 179.820 177.584 -0.016 0.000 1.190 352 A CA 1.500 53.522 52.037 -0.026 0.000 0.617 352 A CB -0.809 18.166 19.000 -0.042 0.000 0.827 352 A HN 0.332 nan 8.150 nan 0.000 0.443 353 L N -0.642 120.561 121.223 -0.034 0.000 2.043 353 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 353 L C 3.096 179.969 176.870 0.005 0.000 1.075 353 L CA 1.284 56.107 54.840 -0.029 0.000 0.752 353 L CB -0.660 41.374 42.059 -0.040 0.000 0.891 353 L HN 0.451 nan 8.230 nan 0.000 0.432 354 A N -0.020 122.807 122.820 0.013 0.000 1.902 354 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 354 A C 2.554 180.188 177.584 0.085 0.000 1.181 354 A CA 1.886 53.949 52.037 0.044 0.000 0.623 354 A CB -0.791 18.223 19.000 0.022 0.000 0.818 354 A HN 0.414 nan 8.150 nan 0.000 0.443 355 A N -0.469 122.388 122.820 0.061 0.000 1.902 355 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 355 A C 2.188 179.845 177.584 0.122 0.000 1.181 355 A CA 1.990 54.084 52.037 0.095 0.000 0.623 355 A CB -0.445 18.597 19.000 0.069 0.000 0.818 355 A HN 0.374 nan 8.150 nan 0.000 0.443 356 K N 0.086 120.531 120.400 0.075 0.000 2.009 356 K HA -0.116 4.204 4.320 -0.000 0.000 0.210 356 K C 1.977 178.622 176.600 0.075 0.000 1.049 356 K CA 1.961 58.286 56.287 0.064 0.000 0.929 356 K CB -0.705 31.808 32.500 0.022 0.000 0.714 356 K HN 0.276 nan 8.250 nan 0.000 0.440 357 V N 1.060 121.017 119.914 0.072 0.000 2.307 357 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 357 V C 2.265 178.414 176.094 0.091 0.000 1.045 357 V CA 1.884 64.223 62.300 0.064 0.000 1.024 357 V CB -0.614 31.241 31.823 0.053 0.000 0.651 357 V HN 0.259 nan 8.190 nan 0.000 0.449 358 F N 0.526 120.480 119.950 0.006 0.000 2.075 358 F HA -0.218 4.309 4.527 -0.000 0.000 0.297 358 F C 2.398 178.204 175.800 0.009 0.000 1.113 358 F CA 2.146 60.151 58.000 0.007 0.000 1.218 358 F CB -0.489 38.516 39.000 0.009 0.000 0.984 358 F HN 0.143 nan 8.300 nan 0.000 0.472 359 C N 0.213 119.631 119.300 0.196 0.000 2.457 359 C HA -0.092 4.368 4.460 -0.000 0.000 0.278 359 C C 3.186 178.175 174.990 -0.002 0.000 1.309 359 C CA 1.130 60.213 59.018 0.108 0.000 1.735 359 C CB -1.412 26.435 27.740 0.178 0.000 1.992 359 C HN 0.703 nan 8.230 nan 0.000 0.493 360 S N 1.595 117.304 115.700 0.016 0.000 2.368 360 S HA -0.204 4.266 4.470 -0.000 0.000 0.225 360 S C 1.529 176.101 174.600 -0.047 0.000 1.030 360 S CA 1.636 59.839 58.200 0.005 0.000 0.999 360 S CB -0.570 62.650 63.200 0.032 0.000 0.844 360 S HN 0.734 nan 8.310 nan 0.000 0.459 361 E N 1.569 121.714 120.200 -0.092 0.000 2.112 361 E HA 0.139 4.489 4.350 -0.000 0.000 0.190 361 E C 2.407 178.904 176.600 -0.172 0.000 0.979 361 E CA 0.710 57.038 56.400 -0.120 0.000 0.814 361 E CB -0.350 29.277 29.700 -0.122 0.000 0.762 361 E HN 0.691 nan 8.360 nan 0.000 0.460 362 A N 1.542 124.191 122.820 -0.285 0.000 1.972 362 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 362 A C 2.363 179.871 177.584 -0.126 0.000 1.169 362 A CA 1.526 53.388 52.037 -0.293 0.000 0.635 362 A CB -0.503 18.195 19.000 -0.503 0.000 0.810 362 A HN 0.282 nan 8.150 nan 0.000 0.446 363 A N -0.404 122.373 122.820 -0.070 0.000 1.877 363 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 363 A C 2.224 179.807 177.584 -0.003 0.000 1.186 363 A CA 1.818 53.852 52.037 -0.005 0.000 0.620 363 A CB -0.970 18.049 19.000 0.031 0.000 0.822 363 A HN 0.396 nan 8.150 nan 0.000 0.443 364 V N 0.529 120.430 119.914 -0.022 0.000 2.295 364 V HA -0.266 3.853 4.120 -0.000 0.000 0.246 364 V C 2.594 178.676 176.094 -0.020 0.000 1.049 364 V CA 2.482 64.773 62.300 -0.016 0.000 1.024 364 V CB -0.711 31.096 31.823 -0.027 0.000 0.648 364 V HN 0.647 nan 8.190 nan 0.000 0.447 365 K N 1.359 121.733 120.400 -0.044 0.000 2.063 365 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 365 K C 2.022 178.605 176.600 -0.028 0.000 1.048 365 K CA 1.932 58.191 56.287 -0.045 0.000 0.928 365 K CB -0.837 31.618 32.500 -0.074 0.000 0.713 365 K HN 0.385 nan 8.250 nan 0.000 0.442 366 A N 0.044 122.853 122.820 -0.018 0.000 1.902 366 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 366 A C 2.549 180.152 177.584 0.030 0.000 1.181 366 A CA 1.751 53.795 52.037 0.013 0.000 0.623 366 A CB -1.138 17.884 19.000 0.036 0.000 0.818 366 A HN 0.523 nan 8.150 nan 0.000 0.443 367 C N -0.408 118.915 119.300 0.039 0.000 2.440 367 C HA -0.074 4.386 4.460 -0.000 0.000 0.278 367 C C 3.239 178.249 174.990 0.035 0.000 1.295 367 C CA 1.593 60.649 59.018 0.063 0.000 1.738 367 C CB -1.423 26.358 27.740 0.068 0.000 1.987 367 C HN 0.806 nan 8.230 nan 0.000 0.492 368 T N -0.965 113.594 114.554 0.010 0.000 2.821 368 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 368 T C 1.250 175.929 174.700 -0.035 0.000 1.046 368 T CA 1.794 63.889 62.100 -0.008 0.000 1.139 368 T CB -0.428 68.434 68.868 -0.011 0.000 0.871 368 T HN 0.350 nan 8.240 nan 0.000 0.454 369 D N 1.126 121.503 120.400 -0.039 0.000 2.117 369 D HA -0.041 4.599 4.640 -0.000 0.000 0.197 369 D C 2.298 178.533 176.300 -0.108 0.000 0.987 369 D CA 0.729 54.689 54.000 -0.066 0.000 0.829 369 D CB -0.518 40.249 40.800 -0.055 0.000 0.961 369 D HN 0.273 nan 8.370 nan 0.000 0.460 370 V N 0.922 120.782 119.914 -0.091 0.000 2.427 370 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 370 V C 2.470 178.393 176.094 -0.284 0.000 1.051 370 V CA 0.893 63.097 62.300 -0.161 0.000 1.048 370 V CB -0.249 31.559 31.823 -0.025 0.000 0.666 370 V HN 0.194 nan 8.190 nan 0.000 0.456 371 I N 0.450 120.906 120.570 -0.190 0.000 2.208 371 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 371 I C 2.338 178.339 176.117 -0.193 0.000 1.097 371 I CA 1.487 62.660 61.300 -0.211 0.000 1.363 371 I CB -0.443 37.520 38.000 -0.062 0.000 1.051 371 I HN 0.366 nan 8.210 nan 0.000 0.413 372 N N 0.939 119.557 118.700 -0.135 0.000 2.166 372 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 372 N C 1.830 177.278 175.510 -0.103 0.000 1.019 372 N CA 1.560 54.547 53.050 -0.104 0.000 0.856 372 N CB -0.343 38.097 38.487 -0.077 0.000 0.993 372 N HN 0.374 nan 8.380 nan 0.000 0.426 373 A N 0.484 123.208 122.820 -0.159 0.000 1.897 373 A HA -0.016 4.304 4.320 -0.000 0.000 0.215 373 A C 2.452 180.074 177.584 0.063 0.000 1.181 373 A CA 1.017 52.973 52.037 -0.135 0.000 0.620 373 A CB -0.620 18.087 19.000 -0.489 0.000 0.821 373 A HN 0.094 nan 8.150 nan 0.000 0.443 374 V N -0.873 118.926 119.914 -0.191 0.000 2.515 374 V HA 0.208 4.328 4.120 -0.000 0.000 0.250 374 V C 1.731 177.672 176.094 -0.256 0.000 1.058 374 V CA 1.244 63.306 62.300 -0.397 0.000 1.064 374 V CB -1.587 29.590 31.823 -1.076 0.000 0.675 374 V HN 1.198 nan 8.190 nan 0.000 0.461 375 G N -0.229 108.464 108.800 -0.180 0.000 2.508 375 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 375 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 375 G C 0.368 175.213 174.900 -0.092 0.000 1.287 375 G CA 0.029 45.077 45.100 -0.086 0.000 0.916 375 G HN 0.193 nan 8.290 nan 0.000 0.574 376 I N 1.286 121.835 120.570 -0.036 0.000 2.335 376 I HA -0.059 4.111 4.170 -0.000 0.000 0.251 376 I C 2.771 178.908 176.117 0.033 0.000 1.129 376 I CA 2.800 64.095 61.300 -0.009 0.000 1.402 376 I CB -0.466 37.538 38.000 0.006 0.000 1.069 376 I HN 0.536 nan 8.210 nan 0.000 0.424 377 S N 0.783 116.489 115.700 0.010 0.000 2.420 377 S HA -0.191 4.279 4.470 -0.000 0.000 0.237 377 S C 2.076 176.687 174.600 0.018 0.000 1.023 377 S CA 1.115 59.333 58.200 0.030 0.000 0.991 377 S CB -0.643 62.574 63.200 0.027 0.000 0.792 377 S HN 0.672 nan 8.310 nan 0.000 0.488 378 A N -0.511 122.267 122.820 -0.070 0.000 2.168 378 A HA 0.022 4.342 4.320 -0.000 0.000 0.215 378 A C 1.596 179.286 177.584 0.176 0.000 1.152 378 A CA 0.677 52.713 52.037 -0.002 0.000 0.716 378 A CB -0.518 18.352 19.000 -0.216 0.000 0.794 378 A HN 0.539 nan 8.150 nan 0.000 0.465 379 Y N 0.298 120.603 120.300 0.009 0.000 2.466 379 Y HA 0.152 4.702 4.550 -0.000 0.000 0.272 379 Y C 0.215 176.138 175.900 0.039 0.000 1.169 379 Y CA -0.777 57.337 58.100 0.024 0.000 1.285 379 Y CB 0.124 38.590 38.460 0.009 0.000 1.078 379 Y HN 0.278 nan 8.280 nan 0.000 0.523 380 D N 0.395 120.856 120.400 0.103 0.000 2.280 380 D HA 0.088 4.728 4.640 -0.000 0.000 0.243 380 D C 0.879 177.190 176.300 0.017 0.000 1.129 380 D CA 0.068 54.098 54.000 0.049 0.000 0.848 380 D CB 0.935 41.787 40.800 0.086 0.000 1.107 380 D HN 0.246 nan 8.370 nan 0.000 0.471 381 L N 3.037 124.241 121.223 -0.032 0.000 2.549 381 L HA -0.084 4.255 4.340 -0.000 0.000 0.229 381 L C 2.157 179.018 176.870 -0.015 0.000 1.158 381 L CA 0.491 55.310 54.840 -0.035 0.000 0.842 381 L CB -0.134 41.892 42.059 -0.055 0.000 0.952 381 L HN 0.513 nan 8.230 nan 0.000 0.452 382 Q N -0.053 119.749 119.800 0.004 0.000 2.291 382 Q HA -0.050 4.290 4.340 -0.000 0.000 0.205 382 Q C 0.569 176.572 176.000 0.004 0.000 0.970 382 Q CA 0.831 56.639 55.803 0.007 0.000 0.876 382 Q CB 0.304 29.057 28.738 0.024 0.000 0.935 382 Q HN 0.482 nan 8.270 nan 0.000 0.455 383 R N 0.105 120.618 120.500 0.021 0.000 2.596 383 R HA 0.168 4.508 4.340 -0.000 0.000 0.267 383 R C -1.832 174.396 176.300 -0.120 0.000 1.026 383 R CA -1.686 54.410 56.100 -0.007 0.000 1.087 383 R CB 0.416 30.811 30.300 0.158 0.000 1.132 383 R HN -0.044 nan 8.270 nan 0.000 0.531 384 P HA -0.006 nan 4.420 nan 0.000 0.245 384 P C 0.530 177.630 177.300 -0.333 0.000 1.206 384 P CA 0.756 63.639 63.100 -0.360 0.000 0.781 384 P CB 0.236 31.672 31.700 -0.441 0.000 0.994 385 F N 0.779 120.714 119.950 -0.024 0.000 2.186 385 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 385 F C 2.886 178.678 175.800 -0.013 0.000 1.090 385 F CA 1.409 59.395 58.000 -0.023 0.000 1.307 385 F CB -1.429 37.545 39.000 -0.044 0.000 1.019 385 F HN -0.023 nan 8.300 nan 0.000 0.489 386 S N -0.038 115.742 115.700 0.134 0.000 2.355 386 S HA -0.185 4.285 4.470 -0.000 0.000 0.222 386 S C 1.880 176.498 174.600 0.029 0.000 1.031 386 S CA 1.736 59.977 58.200 0.068 0.000 0.993 386 S CB -0.430 62.774 63.200 0.007 0.000 0.859 386 S HN 0.257 nan 8.310 nan 0.000 0.453 387 D N 1.209 121.606 120.400 -0.004 0.000 2.144 387 D HA -0.038 4.602 4.640 -0.000 0.000 0.199 387 D C 1.958 178.245 176.300 -0.023 0.000 0.984 387 D CA 0.799 54.785 54.000 -0.022 0.000 0.834 387 D CB -0.425 40.349 40.800 -0.043 0.000 0.955 387 D HN 0.377 nan 8.370 nan 0.000 0.465 388 L N 0.067 121.282 121.223 -0.014 0.000 1.989 388 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 388 L C 2.391 179.283 176.870 0.037 0.000 1.071 388 L CA 0.620 55.465 54.840 0.009 0.000 0.749 388 L CB -0.414 41.663 42.059 0.030 0.000 0.890 388 L HN 0.097 nan 8.230 nan 0.000 0.431 389 L N 0.115 121.371 121.223 0.056 0.000 1.989 389 L HA -0.249 4.091 4.340 -0.000 0.000 0.211 389 L C 2.190 179.082 176.870 0.037 0.000 1.071 389 L CA 1.912 56.783 54.840 0.052 0.000 0.749 389 L CB -0.904 41.193 42.059 0.063 0.000 0.890 389 L HN 0.288 nan 8.230 nan 0.000 0.431 390 N N -1.239 117.479 118.700 0.031 0.000 2.453 390 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 390 N C 1.491 177.023 175.510 0.037 0.000 1.041 390 N CA 1.455 54.523 53.050 0.031 0.000 0.900 390 N CB -0.054 38.450 38.487 0.028 0.000 0.961 390 N HN 0.499 nan 8.380 nan 0.000 0.443 391 T N 0.544 115.105 114.554 0.013 0.000 2.852 391 T HA 0.079 4.429 4.350 -0.000 0.000 0.256 391 T C 2.071 176.831 174.700 0.101 0.000 1.038 391 T CA 0.903 63.014 62.100 0.019 0.000 1.141 391 T CB -0.114 68.691 68.868 -0.105 0.000 0.869 391 T HN 0.243 nan 8.240 nan 0.000 0.439 392 A N 1.883 124.741 122.820 0.063 0.000 1.933 392 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 392 A C 2.571 180.152 177.584 -0.005 0.000 1.175 392 A CA 1.739 53.806 52.037 0.050 0.000 0.628 392 A CB -1.090 17.938 19.000 0.047 0.000 0.814 392 A HN 0.496 nan 8.150 nan 0.000 0.444 393 V N -2.809 117.101 119.914 -0.007 0.000 2.913 393 V HA -0.106 4.013 4.120 -0.000 0.000 0.260 393 V C 2.043 178.082 176.094 -0.092 0.000 1.098 393 V CA 1.841 64.120 62.300 -0.035 0.000 1.121 393 V CB -0.957 30.857 31.823 -0.015 0.000 0.714 393 V HN 0.199 nan 8.190 nan 0.000 0.487 394 V N 0.072 119.899 119.914 -0.145 0.000 2.809 394 V HA -0.089 4.031 4.120 -0.000 0.000 0.256 394 V C 2.345 178.124 176.094 -0.526 0.000 1.080 394 V CA 1.865 63.959 62.300 -0.342 0.000 1.102 394 V CB -0.159 31.373 31.823 -0.484 0.000 0.705 394 V HN 0.585 nan 8.190 nan 0.000 0.475 395 L N 0.273 121.270 121.223 -0.377 0.000 2.046 395 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 395 L C -0.041 176.840 176.870 0.019 0.000 1.077 395 L CA 1.687 56.386 54.840 -0.235 0.000 0.747 395 L CB -1.909 40.116 42.059 -0.057 0.000 0.896 395 L HN 0.347 nan 8.230 nan 0.000 0.432 396 P HA -0.126 nan 4.420 nan 0.000 0.221 396 P C 1.663 178.971 177.300 0.012 0.000 1.150 396 P CA 1.294 64.396 63.100 0.003 0.000 0.800 396 P CB 0.010 31.694 31.700 -0.027 0.000 0.787 397 I N -5.467 115.095 120.570 -0.013 0.000 3.462 397 I HA 0.170 4.340 4.170 -0.000 0.000 0.290 397 I C 0.797 176.921 176.117 0.012 0.000 1.236 397 I CA -0.054 61.222 61.300 -0.039 0.000 1.418 397 I CB -0.459 37.480 38.000 -0.103 0.000 1.102 397 I HN -0.221 nan 8.210 nan 0.000 0.441 398 F N 2.158 122.003 119.950 -0.174 0.000 2.403 398 F HA 0.512 5.039 4.527 -0.000 0.000 0.326 398 F C 0.492 176.192 175.800 -0.166 0.000 1.099 398 F CA -2.259 55.624 58.000 -0.196 0.000 1.036 398 F CB -0.579 38.311 39.000 -0.183 0.000 1.336 398 F HN 0.100 nan 8.300 nan 0.000 0.497 399 D N 0.457 120.564 120.400 -0.489 0.000 2.701 399 D HA 0.024 4.663 4.640 -0.000 0.000 0.235 399 D C 0.214 176.231 176.300 -0.473 0.000 1.155 399 D CA 1.934 55.591 54.000 -0.570 0.000 0.649 399 D CB -1.453 38.914 40.800 -0.721 0.000 1.050 399 D HN 1.588 nan 8.370 nan 0.000 0.425 400 G N -0.957 107.567 108.800 -0.461 0.000 3.316 400 G HA2 0.261 4.221 3.960 -0.000 0.000 0.445 400 G HA3 0.261 4.221 3.960 -0.000 0.000 0.445 400 G C 0.563 175.344 174.900 -0.198 0.000 1.002 400 G CA -0.022 44.844 45.100 -0.391 0.000 0.818 400 G HN 0.883 nan 8.290 nan 0.000 0.404 401 G N 1.007 109.729 108.800 -0.131 0.000 2.484 401 G HA2 0.324 4.284 3.960 -0.000 0.000 0.235 401 G HA3 0.324 4.284 3.960 -0.000 0.000 0.235 401 G C 1.058 175.920 174.900 -0.063 0.000 1.282 401 G CA 0.267 45.322 45.100 -0.074 0.000 0.857 401 G HN 0.826 nan 8.290 nan 0.000 0.571 402 N N 0.258 118.934 118.700 -0.040 0.000 2.166 402 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 402 N C 2.176 177.668 175.510 -0.030 0.000 1.019 402 N CA 0.782 53.812 53.050 -0.033 0.000 0.856 402 N CB 0.040 38.515 38.487 -0.020 0.000 0.993 402 N HN 0.296 nan 8.380 nan 0.000 0.426 403 V N 0.026 119.922 119.914 -0.030 0.000 2.446 403 V HA -0.006 4.114 4.120 -0.000 0.000 0.244 403 V C 2.238 178.318 176.094 -0.022 0.000 1.039 403 V CA 1.819 64.104 62.300 -0.025 0.000 1.045 403 V CB -0.511 31.298 31.823 -0.024 0.000 0.681 403 V HN 0.391 nan 8.190 nan 0.000 0.459 404 G N -1.299 107.487 108.800 -0.024 0.000 2.662 404 G HA2 0.151 4.111 3.960 -0.000 0.000 0.212 404 G HA3 0.151 4.111 3.960 -0.000 0.000 0.212 404 G C 1.306 176.206 174.900 -0.001 0.000 1.141 404 G CA 0.424 45.515 45.100 -0.015 0.000 0.797 404 G HN 0.443 nan 8.290 nan 0.000 0.531 405 I N -1.424 119.140 120.570 -0.010 0.000 3.664 405 I HA 0.161 4.330 4.170 -0.000 0.000 0.251 405 I C 2.383 178.510 176.117 0.016 0.000 1.134 405 I CA -0.443 60.864 61.300 0.012 0.000 1.520 405 I CB -0.037 37.923 38.000 -0.067 0.000 1.638 405 I HN -0.195 nan 8.210 nan 0.000 0.431 406 R N 1.879 122.329 120.500 -0.083 0.000 2.096 406 R HA -0.117 4.222 4.340 -0.000 0.000 0.240 406 R C 2.133 178.424 176.300 -0.016 0.000 1.139 406 R CA 1.528 57.572 56.100 -0.094 0.000 0.952 406 R CB -0.971 29.274 30.300 -0.090 0.000 0.854 406 R HN 0.391 nan 8.270 nan 0.000 0.436 407 R N 0.213 120.705 120.500 -0.013 0.000 2.148 407 R HA 0.020 4.360 4.340 -0.000 0.000 0.227 407 R C 2.196 178.488 176.300 -0.014 0.000 1.103 407 R CA 0.648 56.741 56.100 -0.012 0.000 0.983 407 R CB -0.096 30.193 30.300 -0.018 0.000 0.874 407 R HN 0.061 nan 8.270 nan 0.000 0.451 408 R N 0.098 120.599 120.500 0.000 0.000 2.092 408 R HA -0.053 4.287 4.340 -0.000 0.000 0.231 408 R C 1.949 178.204 176.300 -0.075 0.000 1.119 408 R CA 1.275 57.352 56.100 -0.037 0.000 0.970 408 R CB -0.797 29.480 30.300 -0.038 0.000 0.864 408 R HN 0.520 nan 8.270 nan 0.000 0.440 409 H N 0.462 119.446 119.070 -0.145 0.000 2.326 409 H HA 0.005 4.561 4.556 -0.000 0.000 0.301 409 H C 2.226 177.478 175.328 -0.126 0.000 1.081 409 H CA 1.268 57.218 56.048 -0.162 0.000 1.334 409 H CB 0.031 29.675 29.762 -0.197 0.000 1.385 409 H HN 0.071 nan 8.280 nan 0.000 0.504 410 L N 0.713 121.944 121.223 0.013 0.000 2.042 410 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 410 L C 2.873 179.678 176.870 -0.108 0.000 1.076 410 L CA 1.402 56.216 54.840 -0.044 0.000 0.749 410 L CB -0.493 41.544 42.059 -0.037 0.000 0.893 410 L HN 0.330 nan 8.230 nan 0.000 0.432 411 Q N -0.467 119.271 119.800 -0.103 0.000 2.061 411 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 411 Q C 2.304 178.211 176.000 -0.154 0.000 0.984 411 Q CA 1.542 57.267 55.803 -0.131 0.000 0.846 411 Q CB 0.054 28.731 28.738 -0.102 0.000 0.902 411 Q HN 0.455 nan 8.270 nan 0.000 0.421 412 Q N 0.237 119.948 119.800 -0.148 0.000 2.124 412 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 412 Q C 2.257 178.180 176.000 -0.129 0.000 0.977 412 Q CA 0.998 56.713 55.803 -0.148 0.000 0.850 412 Q CB -0.235 28.390 28.738 -0.188 0.000 0.901 412 Q HN 0.466 nan 8.270 nan 0.000 0.429 413 L N -0.176 120.976 121.223 -0.119 0.000 1.994 413 L HA -0.174 4.165 4.340 -0.000 0.000 0.208 413 L C 2.534 179.280 176.870 -0.206 0.000 1.071 413 L CA 1.172 55.968 54.840 -0.073 0.000 0.745 413 L CB -0.453 41.601 42.059 -0.008 0.000 0.892 413 L HN 0.224 nan 8.230 nan 0.000 0.431 414 M N -0.773 118.535 119.600 -0.487 0.000 2.279 414 M HA -0.225 4.255 4.480 -0.000 0.000 0.264 414 M C 2.215 178.248 176.300 -0.445 0.000 1.062 414 M CA 1.582 56.332 55.300 -0.916 0.000 1.099 414 M CB -0.299 31.862 32.600 -0.731 0.000 1.394 414 M HN 0.267 nan 8.290 nan 0.000 0.426 415 L N -0.182 120.894 121.223 -0.245 0.000 2.291 415 L HA -0.078 4.261 4.340 -0.000 0.000 0.214 415 L C 0.831 177.656 176.870 -0.075 0.000 1.120 415 L CA 0.584 55.341 54.840 -0.138 0.000 0.799 415 L CB -0.208 41.784 42.059 -0.110 0.000 0.925 415 L HN 0.164 nan 8.230 nan 0.000 0.446 416 K N 0.376 120.747 120.400 -0.048 0.000 2.401 416 K HA 0.013 4.333 4.320 -0.000 0.000 0.278 416 K C -1.526 175.097 176.600 0.039 0.000 1.018 416 K CA -1.255 55.036 56.287 0.008 0.000 0.981 416 K CB 0.563 33.085 32.500 0.038 0.000 0.933 416 K HN -0.186 nan 8.250 nan 0.000 0.477 417 P HA -0.160 nan 4.420 nan 0.000 0.219 417 P C 0.926 178.256 177.300 0.051 0.000 1.146 417 P CA 1.235 64.355 63.100 0.034 0.000 0.808 417 P CB 0.135 31.847 31.700 0.020 0.000 0.779 418 T N -5.971 108.615 114.554 0.053 0.000 3.113 418 T HA -0.070 4.280 4.350 -0.000 0.000 0.256 418 T C 0.631 175.361 174.700 0.050 0.000 1.131 418 T CA -0.281 61.844 62.100 0.042 0.000 1.074 418 T CB -1.154 67.732 68.868 0.030 0.000 0.944 418 T HN -0.034 nan 8.240 nan 0.000 0.516 419 Y N 3.123 123.395 120.300 -0.046 0.000 2.881 419 Y HA 0.183 4.733 4.550 -0.000 0.000 0.335 419 Y C -0.151 175.702 175.900 -0.078 0.000 1.263 419 Y CA -0.171 57.885 58.100 -0.073 0.000 1.572 419 Y CB 0.121 38.529 38.460 -0.086 0.000 1.237 419 Y HN 0.099 nan 8.280 nan 0.000 0.568 420 D N 5.531 125.536 120.400 -0.658 0.000 2.346 420 D HA 0.354 4.994 4.640 -0.000 0.000 0.255 420 D C 0.601 176.456 176.300 -0.741 0.000 1.276 420 D CA 0.325 54.038 54.000 -0.479 0.000 0.941 420 D CB 0.838 41.501 40.800 -0.227 0.000 1.199 420 D HN 0.740 nan 8.370 nan 0.000 0.537 421 A N 2.611 124.895 122.820 -0.893 0.000 1.894 421 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 421 A C 1.270 178.234 177.584 -1.033 0.000 1.237 421 A CA 1.534 52.866 52.037 -1.175 0.000 0.660 421 A CB -0.620 17.651 19.000 -1.216 0.000 0.835 421 A HN 0.691 nan 8.150 nan 0.000 0.461 422 W N -0.117 121.115 121.300 -0.113 0.000 3.123 422 W HA 0.277 4.936 4.660 -0.000 0.000 0.383 422 W C 2.052 178.546 176.519 -0.041 0.000 1.102 422 W CA 0.212 57.535 57.345 -0.036 0.000 1.865 422 W CB -0.191 29.329 29.460 0.099 0.000 1.111 422 W HN 0.426 nan 8.180 nan 0.000 0.621 423 S N 0.040 115.743 115.700 0.006 0.000 2.419 423 S HA -0.229 4.241 4.470 -0.000 0.000 0.233 423 S C 1.827 176.423 174.600 -0.007 0.000 1.016 423 S CA 1.604 59.808 58.200 0.006 0.000 0.974 423 S CB -0.860 62.301 63.200 -0.064 0.000 0.786 423 S HN 0.223 nan 8.310 nan 0.000 0.492 424 S N 0.042 115.717 115.700 -0.042 0.000 2.607 424 S HA 0.093 4.562 4.470 -0.000 0.000 0.224 424 S C 1.326 175.900 174.600 -0.044 0.000 0.969 424 S CA 0.661 58.835 58.200 -0.045 0.000 0.927 424 S CB -0.425 62.735 63.200 -0.066 0.000 0.772 424 S HN 0.569 nan 8.310 nan 0.000 0.533 425 T N -0.083 114.434 114.554 -0.063 0.000 3.114 425 T HA 0.257 4.607 4.350 -0.000 0.000 0.240 425 T C 0.444 174.975 174.700 -0.283 0.000 0.983 425 T CA 0.254 62.208 62.100 -0.243 0.000 1.151 425 T CB -0.172 68.434 68.868 -0.436 0.000 0.974 425 T HN 0.425 nan 8.240 nan 0.000 0.442 426 Y N 1.598 121.948 120.300 0.082 0.000 2.467 426 Y HA 0.538 5.088 4.550 -0.000 0.000 0.250 426 Y C 1.530 177.455 175.900 0.041 0.000 1.155 426 Y CA -1.342 56.790 58.100 0.054 0.000 1.249 426 Y CB -0.225 38.266 38.460 0.052 0.000 1.146 426 Y HN 0.190 nan 8.280 nan 0.000 0.524 427 G N 0.000 108.884 108.800 0.141 0.000 5.446 427 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 427 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 427 G CA 0.000 45.152 45.100 0.087 0.000 0.502 427 G HN 0.000 nan 8.290 nan 0.000 0.925