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 2xr8_1_K DATA FIRST_RESID 18 DATA SEQUENCE NWTPEAIRGL VDQEKGLLDP RIYADQSLYE LELERVFGRS WLLLGHESHV DATA SEQUENCE PETGDFLATY MGEDPVVMVR QKDKSIKVFL NQCRHRGMRI CRSDAGNAKA DATA SEQUENCE FTCSYHGWAY DIAGKLVNVP FEKEAFXXXX XXXXXFDKAE WGPLQARVAT DATA SEQUENCE YKGLVFANWD VQAPDLETYL GDARPYMDVM LDRTPAGTVA IGGMQKWVIP DATA SEQUENCE CNWKFAAEQF CSDMYHAGTT THLSGILAGI PPEMDLSQAQ IPTKGNQFRA DATA SEQUENCE AWGGHGSGWY VDEPGSLLAV MGPKVTQYWT EGPAAELAEQ RLGHTGMPVR DATA SEQUENCE RMVGQHMTIF PTCSFLPTFN NIRIWHPRGP NEIEVWAFTL VDADAPAEIK DATA SEQUENCE EEYRRHNIRN FSAGGVFEQD DGENWVEIQK GLRGYKAKSQ PLNAQMGLGR DATA SEQUENCE SQTGHPDFPG NVGYVYAEEA ARGMYHHWMR MMSEPSWATL KP 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 18 N HA 0.000 nan 4.740 nan 0.000 0.220 18 N C 0.000 175.466 175.510 -0.074 0.000 1.280 18 N CA 0.000 52.923 53.050 -0.212 0.000 0.885 18 N CB 0.000 38.417 38.487 -0.116 0.000 1.341 19 W N 2.120 123.418 121.300 -0.003 0.000 4.049 19 W HA -0.160 4.500 4.660 -0.000 0.000 0.433 19 W C -0.078 176.422 176.519 -0.032 0.000 1.721 19 W CA 0.275 57.611 57.345 -0.014 0.000 0.722 19 W CB -2.254 27.199 29.460 -0.012 0.000 2.916 19 W HN 0.168 nan 8.180 nan 0.000 0.936 20 T N -1.705 112.934 114.554 0.143 0.000 2.868 20 T HA 0.364 4.714 4.350 -0.000 0.000 0.292 20 T C -1.011 173.736 174.700 0.078 0.000 1.028 20 T CA -1.072 61.073 62.100 0.075 0.000 1.059 20 T CB 1.569 70.453 68.868 0.027 0.000 0.991 20 T HN -0.114 nan 8.240 nan 0.000 0.531 21 P HA -0.141 nan 4.420 nan 0.000 0.217 21 P C 1.353 178.654 177.300 0.003 0.000 1.148 21 P CA 1.105 64.198 63.100 -0.011 0.000 0.834 21 P CB 0.115 31.797 31.700 -0.031 0.000 0.783 22 E N -0.957 119.255 120.200 0.020 0.000 2.158 22 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 22 E C 1.902 178.537 176.600 0.057 0.000 0.982 22 E CA 0.751 57.166 56.400 0.025 0.000 0.823 22 E CB -0.264 29.446 29.700 0.017 0.000 0.766 22 E HN 0.091 nan 8.360 nan 0.000 0.468 23 A N 1.157 124.037 122.820 0.100 0.000 1.968 23 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 23 A C 2.008 179.749 177.584 0.261 0.000 1.169 23 A CA 0.643 52.793 52.037 0.187 0.000 0.638 23 A CB -0.270 18.857 19.000 0.211 0.000 0.812 23 A HN 0.209 nan 8.150 nan 0.000 0.446 24 I N -0.140 120.536 120.570 0.175 0.000 2.202 24 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 24 I C 2.437 178.560 176.117 0.010 0.000 1.091 24 I CA 1.315 62.637 61.300 0.036 0.000 1.368 24 I CB -1.288 36.651 38.000 -0.101 0.000 1.058 24 I HN 0.357 nan 8.210 nan 0.000 0.410 25 R N 0.577 121.078 120.500 0.002 0.000 2.152 25 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 25 R C 2.009 178.327 176.300 0.030 0.000 1.117 25 R CA 1.226 57.323 56.100 -0.005 0.000 0.981 25 R CB -0.494 29.800 30.300 -0.010 0.000 0.870 25 R HN 0.436 nan 8.270 nan 0.000 0.451 26 G N -0.067 108.766 108.800 0.056 0.000 3.088 26 G HA2 0.027 3.987 3.960 -0.000 0.000 0.212 26 G HA3 0.027 3.987 3.960 -0.000 0.000 0.212 26 G C 1.142 176.079 174.900 0.062 0.000 1.173 26 G CA -0.193 44.942 45.100 0.059 0.000 0.779 26 G HN 0.128 nan 8.290 nan 0.000 0.540 27 L N -0.325 120.937 121.223 0.065 0.000 2.354 27 L HA 0.235 4.575 4.340 -0.000 0.000 0.212 27 L C 0.184 177.044 176.870 -0.017 0.000 1.091 27 L CA 0.286 55.148 54.840 0.037 0.000 0.828 27 L CB 0.411 42.508 42.059 0.063 0.000 0.973 27 L HN -0.065 nan 8.230 nan 0.000 0.461 28 V N -0.435 119.492 119.914 0.022 0.000 2.588 28 V HA 0.353 4.473 4.120 -0.000 0.000 0.304 28 V C -1.233 174.883 176.094 0.036 0.000 1.042 28 V CA -0.657 61.648 62.300 0.009 0.000 0.877 28 V CB 2.276 34.148 31.823 0.081 0.000 0.996 28 V HN -0.061 nan 8.190 nan 0.000 0.425 29 D N 2.978 123.387 120.400 0.016 0.000 2.389 29 D HA 0.256 4.896 4.640 -0.000 0.000 0.256 29 D C 0.854 177.165 176.300 0.020 0.000 1.239 29 D CA -0.365 53.651 54.000 0.028 0.000 0.925 29 D CB 1.928 42.732 40.800 0.007 0.000 1.145 29 D HN 0.718 nan 8.370 nan 0.000 0.542 30 Q N 1.791 121.615 119.800 0.040 0.000 2.230 30 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 30 Q C 1.059 177.041 176.000 -0.031 0.000 0.963 30 Q CA 0.984 56.784 55.803 -0.005 0.000 0.866 30 Q CB 0.239 28.942 28.738 -0.057 0.000 0.931 30 Q HN 0.217 nan 8.270 nan 0.000 0.452 31 E N 1.174 121.359 120.200 -0.025 0.000 2.047 31 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 31 E C 1.672 178.262 176.600 -0.017 0.000 0.987 31 E CA 1.229 57.614 56.400 -0.025 0.000 0.799 31 E CB 0.217 29.908 29.700 -0.015 0.000 0.752 31 E HN 0.182 nan 8.360 nan 0.000 0.449 32 K N -1.137 119.256 120.400 -0.011 0.000 2.305 32 K HA 0.107 4.427 4.320 -0.000 0.000 0.199 32 K C 0.702 177.293 176.600 -0.016 0.000 1.047 32 K CA 0.808 57.088 56.287 -0.012 0.000 0.976 32 K CB 0.383 32.878 32.500 -0.009 0.000 0.765 32 K HN 0.290 nan 8.250 nan 0.000 0.474 33 G N 2.012 110.802 108.800 -0.018 0.000 2.289 33 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.280 33 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.280 33 G C -0.331 174.550 174.900 -0.032 0.000 1.089 33 G CA -0.002 45.085 45.100 -0.022 0.000 0.939 33 G HN 0.163 nan 8.290 nan 0.000 0.499 34 L N -0.780 120.419 121.223 -0.040 0.000 2.381 34 L HA 0.784 5.123 4.340 -0.000 0.000 0.268 34 L C 0.246 177.059 176.870 -0.096 0.000 0.997 34 L CA -1.114 53.693 54.840 -0.055 0.000 0.818 34 L CB 2.138 44.175 42.059 -0.037 0.000 1.310 34 L HN 0.084 nan 8.230 nan 0.000 0.416 35 L N 1.908 123.052 121.223 -0.132 0.000 2.362 35 L HA 0.420 4.760 4.340 -0.000 0.000 0.275 35 L C -0.603 176.172 176.870 -0.157 0.000 0.998 35 L CA -0.622 54.085 54.840 -0.223 0.000 0.820 35 L CB 2.109 43.941 42.059 -0.377 0.000 1.270 35 L HN 0.506 nan 8.230 nan 0.000 0.415 36 D N 5.300 125.601 120.400 -0.166 0.000 2.343 36 D HA 0.106 4.746 4.640 -0.000 0.000 0.255 36 D C -1.567 174.649 176.300 -0.139 0.000 1.187 36 D CA -1.599 52.337 54.000 -0.107 0.000 0.875 36 D CB 1.726 42.489 40.800 -0.062 0.000 1.136 36 D HN 0.257 nan 8.370 nan 0.000 0.469 37 P HA -0.054 nan 4.420 nan 0.000 0.230 37 P C 1.041 178.389 177.300 0.080 0.000 1.158 37 P CA 0.441 63.608 63.100 0.112 0.000 0.769 37 P CB 0.365 32.126 31.700 0.102 0.000 0.807 38 R N 0.337 120.835 120.500 -0.004 0.000 2.189 38 R HA -0.029 4.311 4.340 -0.000 0.000 0.223 38 R C 2.449 178.688 176.300 -0.101 0.000 1.092 38 R CA 1.003 57.116 56.100 0.022 0.000 0.989 38 R CB -0.858 29.511 30.300 0.115 0.000 0.876 38 R HN 0.346 nan 8.270 nan 0.000 0.457 39 I N -2.373 117.993 120.570 -0.341 0.000 2.423 39 I HA -0.247 3.923 4.170 -0.000 0.000 0.254 39 I C 0.955 176.700 176.117 -0.620 0.000 1.151 39 I CA 1.540 62.485 61.300 -0.591 0.000 1.421 39 I CB -0.361 37.005 38.000 -1.058 0.000 1.079 39 I HN 0.035 nan 8.210 nan 0.000 0.431 40 Y N 0.917 121.033 120.300 -0.308 0.000 2.482 40 Y HA 0.476 5.026 4.550 -0.000 0.000 0.270 40 Y C 2.356 178.204 175.900 -0.086 0.000 1.152 40 Y CA 0.305 58.227 58.100 -0.296 0.000 1.292 40 Y CB 0.062 38.311 38.460 -0.352 0.000 1.070 40 Y HN 0.215 nan 8.280 nan 0.000 0.528 41 A N -1.258 121.619 122.820 0.094 0.000 2.026 41 A HA 0.042 4.362 4.320 -0.000 0.000 0.198 41 A C 0.462 178.111 177.584 0.108 0.000 1.390 41 A CA -0.186 51.917 52.037 0.110 0.000 0.915 41 A CB 0.068 19.142 19.000 0.123 0.000 0.974 41 A HN 0.138 nan 8.150 nan 0.000 0.477 42 D N 0.386 120.854 120.400 0.113 0.000 2.450 42 D HA 0.055 4.695 4.640 -0.000 0.000 0.247 42 D C 0.854 177.262 176.300 0.180 0.000 1.162 42 D CA 0.236 54.339 54.000 0.171 0.000 0.879 42 D CB 1.325 42.256 40.800 0.217 0.000 1.163 42 D HN 0.272 nan 8.370 nan 0.000 0.472 43 Q N 2.174 122.089 119.800 0.191 0.000 2.079 43 Q HA -0.119 4.221 4.340 -0.000 0.000 0.200 43 Q C 1.804 177.951 176.000 0.244 0.000 0.974 43 Q CA 1.480 57.401 55.803 0.196 0.000 0.840 43 Q CB -0.118 28.712 28.738 0.152 0.000 0.898 43 Q HN 0.399 nan 8.270 nan 0.000 0.430 44 S N -0.138 115.724 115.700 0.269 0.000 2.399 44 S HA -0.057 4.413 4.470 -0.000 0.000 0.231 44 S C 1.713 176.410 174.600 0.161 0.000 1.022 44 S CA 0.931 59.305 58.200 0.290 0.000 0.983 44 S CB -0.200 63.295 63.200 0.491 0.000 0.803 44 S HN 0.359 nan 8.310 nan 0.000 0.480 45 L N -0.395 120.848 121.223 0.034 0.000 2.072 45 L HA -0.078 4.262 4.340 -0.000 0.000 0.205 45 L C 2.302 179.235 176.870 0.104 0.000 1.079 45 L CA 1.350 56.113 54.840 -0.129 0.000 0.752 45 L CB -0.571 41.348 42.059 -0.233 0.000 0.906 45 L HN 0.329 nan 8.230 nan 0.000 0.436 46 Y N 1.431 121.796 120.300 0.109 0.000 2.128 46 Y HA -0.303 4.247 4.550 -0.000 0.000 0.284 46 Y C 2.429 178.421 175.900 0.154 0.000 1.154 46 Y CA 1.882 60.096 58.100 0.190 0.000 1.149 46 Y CB -0.171 38.392 38.460 0.171 0.000 0.976 46 Y HN 0.192 nan 8.280 nan 0.000 0.505 47 E N -0.422 119.835 120.200 0.095 0.000 2.153 47 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 47 E C 1.929 178.493 176.600 -0.060 0.000 0.988 47 E CA 1.197 57.592 56.400 -0.008 0.000 0.811 47 E CB -0.222 29.538 29.700 0.101 0.000 0.746 47 E HN 0.378 nan 8.360 nan 0.000 0.466 48 L N 0.995 122.196 121.223 -0.037 0.000 2.156 48 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 48 L C 1.945 178.756 176.870 -0.099 0.000 1.095 48 L CA 1.470 56.265 54.840 -0.074 0.000 0.770 48 L CB -0.169 41.829 42.059 -0.102 0.000 0.914 48 L HN 0.048 nan 8.230 nan 0.000 0.439 49 E N -0.601 119.566 120.200 -0.055 0.000 2.106 49 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 49 E C 2.224 178.872 176.600 0.080 0.000 0.984 49 E CA 0.835 57.256 56.400 0.035 0.000 0.806 49 E CB -0.132 29.757 29.700 0.315 0.000 0.750 49 E HN 0.431 nan 8.360 nan 0.000 0.458 50 L N 0.744 121.933 121.223 -0.056 0.000 2.201 50 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 50 L C 2.566 179.440 176.870 0.006 0.000 1.105 50 L CA 1.032 55.846 54.840 -0.044 0.000 0.775 50 L CB -0.218 41.699 42.059 -0.236 0.000 0.913 50 L HN 0.202 nan 8.230 nan 0.000 0.440 51 E N -0.177 120.001 120.200 -0.036 0.000 2.079 51 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 51 E C 2.231 178.804 176.600 -0.046 0.000 0.961 51 E CA 0.066 56.442 56.400 -0.039 0.000 0.823 51 E CB 0.334 29.999 29.700 -0.058 0.000 0.789 51 E HN 0.248 nan 8.360 nan 0.000 0.459 52 R N 0.290 120.732 120.500 -0.097 0.000 2.140 52 R HA 0.084 4.424 4.340 -0.000 0.000 0.213 52 R C 2.187 178.383 176.300 -0.173 0.000 1.059 52 R CA 0.547 56.549 56.100 -0.163 0.000 1.000 52 R CB 0.024 30.181 30.300 -0.238 0.000 0.910 52 R HN 0.163 nan 8.270 nan 0.000 0.455 53 V N -0.268 119.545 119.914 -0.167 0.000 2.502 53 V HA -0.006 4.113 4.120 -0.000 0.000 0.234 53 V C 1.891 177.840 176.094 -0.243 0.000 1.072 53 V CA 1.061 63.222 62.300 -0.233 0.000 1.094 53 V CB -0.533 31.080 31.823 -0.351 0.000 0.761 53 V HN -0.002 nan 8.190 nan 0.000 0.489 54 F N 1.666 121.551 119.950 -0.108 0.000 2.325 54 F HA 0.069 4.596 4.527 -0.000 0.000 0.299 54 F C 2.307 178.125 175.800 0.029 0.000 1.090 54 F CA 1.262 59.204 58.000 -0.098 0.000 1.392 54 F CB -0.690 38.203 39.000 -0.177 0.000 1.053 54 F HN 0.261 nan 8.300 nan 0.000 0.521 55 G N 0.150 109.067 108.800 0.194 0.000 2.744 55 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.211 55 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.211 55 G C 1.408 176.447 174.900 0.231 0.000 1.143 55 G CA 0.302 45.531 45.100 0.215 0.000 0.788 55 G HN 0.431 nan 8.290 nan 0.000 0.534 56 R N -0.983 119.624 120.500 0.178 0.000 2.519 56 R HA 0.276 4.616 4.340 -0.000 0.000 0.375 56 R C -0.281 176.150 176.300 0.219 0.000 0.926 56 R CA -0.206 56.032 56.100 0.231 0.000 1.166 56 R CB 0.114 30.644 30.300 0.383 0.000 1.626 56 R HN 0.068 nan 8.270 nan 0.000 0.529 57 S N 0.937 116.714 115.700 0.129 0.000 2.646 57 S HA 0.304 4.774 4.470 -0.000 0.000 0.276 57 S C -0.944 173.551 174.600 -0.175 0.000 1.222 57 S CA -0.600 57.678 58.200 0.131 0.000 1.014 57 S CB 0.672 64.004 63.200 0.218 0.000 0.991 57 S HN 0.235 nan 8.310 nan 0.000 0.533 58 W N 2.339 123.436 121.300 -0.338 0.000 2.485 58 W HA 0.419 5.079 4.660 -0.000 0.000 0.315 58 W C -0.635 175.949 176.519 0.109 0.000 1.304 58 W CA -0.302 56.888 57.345 -0.259 0.000 1.345 58 W CB -0.070 29.010 29.460 -0.634 0.000 1.368 58 W HN 0.293 nan 8.180 nan 0.000 0.497 59 L N 5.172 126.602 121.223 0.345 0.000 2.307 59 L HA 0.395 4.735 4.340 -0.000 0.000 0.284 59 L C 0.011 177.034 176.870 0.254 0.000 1.023 59 L CA -1.323 53.692 54.840 0.292 0.000 0.810 59 L CB 0.857 42.995 42.059 0.132 0.000 1.231 59 L HN 0.222 nan 8.230 nan 0.000 0.423 60 L N 3.438 124.724 121.223 0.104 0.000 2.416 60 L HA 0.152 4.492 4.340 -0.000 0.000 0.272 60 L C 0.309 177.097 176.870 -0.136 0.000 1.161 60 L CA 0.777 55.414 54.840 -0.337 0.000 0.845 60 L CB 0.525 42.386 42.059 -0.330 0.000 1.119 60 L HN 0.607 nan 8.230 nan 0.000 0.464 61 L N 3.923 125.052 121.223 -0.156 0.000 2.766 61 L HA 0.549 4.889 4.340 -0.000 0.000 0.241 61 L C 0.911 177.777 176.870 -0.006 0.000 1.080 61 L CA 0.353 55.162 54.840 -0.051 0.000 0.909 61 L CB 0.198 42.215 42.059 -0.071 0.000 1.277 61 L HN 0.878 nan 8.230 nan 0.000 0.510 62 G N -1.464 107.334 108.800 -0.003 0.000 2.441 62 G HA2 0.062 4.022 3.960 -0.000 0.000 0.222 62 G HA3 0.062 4.022 3.960 -0.000 0.000 0.222 62 G C -1.887 173.089 174.900 0.127 0.000 1.254 62 G CA -0.616 44.521 45.100 0.062 0.000 0.959 62 G HN -0.012 nan 8.290 nan 0.000 0.474 63 H N 0.450 119.544 119.070 0.039 0.000 2.679 63 H HA 0.466 5.022 4.556 -0.000 0.000 0.367 63 H C 0.908 176.175 175.328 -0.103 0.000 1.162 63 H CA -0.206 55.775 56.048 -0.112 0.000 1.181 63 H CB 2.323 31.889 29.762 -0.326 0.000 1.693 63 H HN 0.614 nan 8.280 nan 0.000 0.538 64 E N 1.063 120.998 120.200 -0.442 0.000 2.209 64 E HA -0.158 4.191 4.350 -0.000 0.000 0.196 64 E C 1.565 178.153 176.600 -0.020 0.000 0.993 64 E CA 1.629 57.908 56.400 -0.201 0.000 0.819 64 E CB 0.262 29.805 29.700 -0.262 0.000 0.745 64 E HN 0.572 nan 8.360 nan 0.000 0.477 65 S N -1.012 114.783 115.700 0.158 0.000 2.562 65 S HA -0.051 4.419 4.470 -0.000 0.000 0.221 65 S C 1.366 175.949 174.600 -0.030 0.000 0.975 65 S CA 0.324 58.567 58.200 0.072 0.000 0.918 65 S CB -0.295 62.944 63.200 0.065 0.000 0.772 65 S HN 0.361 nan 8.310 nan 0.000 0.531 66 H N 1.004 120.078 119.070 0.007 0.000 2.495 66 H HA 0.138 4.694 4.556 -0.000 0.000 0.287 66 H C 0.642 175.934 175.328 -0.060 0.000 1.033 66 H CA 1.063 57.067 56.048 -0.074 0.000 1.307 66 H CB 0.324 30.003 29.762 -0.139 0.000 1.401 66 H HN 0.479 nan 8.280 nan 0.000 0.555 67 V N -1.605 118.356 119.914 0.078 0.000 2.405 67 V HA 0.218 4.338 4.120 -0.000 0.000 0.253 67 V C -2.333 173.779 176.094 0.031 0.000 0.963 67 V CA -1.327 61.000 62.300 0.044 0.000 1.003 67 V CB 1.376 33.234 31.823 0.060 0.000 1.251 67 V HN 0.046 nan 8.190 nan 0.000 0.520 68 P HA 0.100 nan 4.420 nan 0.000 0.220 68 P C 0.412 177.721 177.300 0.016 0.000 1.152 68 P CA 1.155 64.263 63.100 0.013 0.000 0.812 68 P CB 0.774 32.477 31.700 0.006 0.000 0.792 69 E N -0.610 119.601 120.200 0.019 0.000 2.281 69 E HA 0.256 4.606 4.350 -0.000 0.000 0.262 69 E C -0.251 176.373 176.600 0.040 0.000 0.933 69 E CA -0.625 55.788 56.400 0.023 0.000 0.809 69 E CB 0.977 30.686 29.700 0.014 0.000 1.242 69 E HN -0.192 nan 8.360 nan 0.000 0.418 70 T N 0.681 115.259 114.554 0.040 0.000 2.831 70 T HA 0.265 4.615 4.350 -0.000 0.000 0.291 70 T C 1.024 175.765 174.700 0.068 0.000 0.981 70 T CA 1.288 63.421 62.100 0.054 0.000 1.174 70 T CB 0.047 68.940 68.868 0.041 0.000 0.929 70 T HN 0.762 nan 8.240 nan 0.000 0.532 71 G N 3.711 112.575 108.800 0.106 0.000 2.213 71 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.236 71 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.236 71 G C -0.124 174.911 174.900 0.224 0.000 0.991 71 G CA -0.401 44.783 45.100 0.140 0.000 0.629 71 G HN 0.668 nan 8.290 nan 0.000 0.517 72 D N 1.097 121.583 120.400 0.142 0.000 2.425 72 D HA 0.524 5.164 4.640 -0.000 0.000 0.247 72 D C 0.506 176.914 176.300 0.179 0.000 1.147 72 D CA 0.565 54.608 54.000 0.071 0.000 0.879 72 D CB 0.271 41.077 40.800 0.011 0.000 1.179 72 D HN 0.499 nan 8.370 nan 0.000 0.456 73 F N 0.632 120.652 119.950 0.117 0.000 2.603 73 F HA 0.699 5.226 4.527 -0.000 0.000 0.317 73 F C -1.500 174.328 175.800 0.047 0.000 1.066 73 F CA -1.529 56.542 58.000 0.118 0.000 0.941 73 F CB 1.083 40.241 39.000 0.264 0.000 1.291 73 F HN 0.094 nan 8.300 nan 0.000 0.472 74 L N 2.564 123.918 121.223 0.218 0.000 2.409 74 L HA 0.832 5.172 4.340 -0.000 0.000 0.272 74 L C -0.873 176.071 176.870 0.123 0.000 0.980 74 L CA -0.763 54.140 54.840 0.105 0.000 0.826 74 L CB 1.761 43.813 42.059 -0.011 0.000 1.268 74 L HN 0.997 nan 8.230 nan 0.000 0.407 75 A N 3.670 126.587 122.820 0.161 0.000 2.391 75 A HA 0.629 4.949 4.320 -0.000 0.000 0.316 75 A C 0.060 177.729 177.584 0.143 0.000 1.381 75 A CA 0.081 52.162 52.037 0.072 0.000 0.998 75 A CB 0.094 19.156 19.000 0.102 0.000 1.147 75 A HN 0.763 nan 8.150 nan 0.000 0.545 76 T N 1.086 115.629 114.554 -0.018 0.000 2.633 76 T HA 0.729 5.079 4.350 -0.000 0.000 0.262 76 T C -1.329 173.094 174.700 -0.462 0.000 0.920 76 T CA -0.322 61.749 62.100 -0.048 0.000 1.062 76 T CB 0.630 69.533 68.868 0.058 0.000 1.390 76 T HN 0.422 nan 8.240 nan 0.000 0.549 77 Y N 0.051 119.987 120.300 -0.607 0.000 2.545 77 Y HA 0.670 5.220 4.550 -0.000 0.000 0.348 77 Y C -0.142 175.545 175.900 -0.354 0.000 1.002 77 Y CA -0.912 56.809 58.100 -0.632 0.000 1.039 77 Y CB 2.224 39.971 38.460 -1.188 0.000 1.271 77 Y HN 0.416 nan 8.280 nan 0.000 0.467 78 M N 2.769 122.351 119.600 -0.031 0.000 2.022 78 M HA 0.441 4.921 4.480 -0.000 0.000 0.298 78 M C 0.511 176.849 176.300 0.064 0.000 0.909 78 M CA -0.130 55.202 55.300 0.054 0.000 0.914 78 M CB 1.246 33.886 32.600 0.068 0.000 1.486 78 M HN 0.978 nan 8.290 nan 0.000 0.415 79 G N 2.447 111.197 108.800 -0.084 0.000 2.565 79 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.295 79 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.295 79 G C 0.341 175.105 174.900 -0.226 0.000 1.165 79 G CA 0.367 45.234 45.100 -0.388 0.000 0.977 79 G HN 0.718 nan 8.290 nan 0.000 0.546 80 E N 1.363 121.488 120.200 -0.126 0.000 2.501 80 E HA 0.156 4.506 4.350 -0.000 0.000 0.201 80 E C -0.543 176.135 176.600 0.131 0.000 1.016 80 E CA -0.164 56.231 56.400 -0.008 0.000 0.920 80 E CB 0.302 29.998 29.700 -0.006 0.000 1.023 80 E HN 0.391 nan 8.360 nan 0.000 0.474 81 D N 3.192 123.658 120.400 0.109 0.000 2.339 81 D HA 0.121 4.761 4.640 -0.000 0.000 0.241 81 D C -2.308 173.977 176.300 -0.025 0.000 1.183 81 D CA -1.614 52.432 54.000 0.077 0.000 0.859 81 D CB 1.375 42.248 40.800 0.122 0.000 1.067 81 D HN 0.017 nan 8.370 nan 0.000 0.484 82 P HA 0.028 nan 4.420 nan 0.000 0.271 82 P C -0.329 176.753 177.300 -0.363 0.000 1.216 82 P CA -0.327 62.359 63.100 -0.689 0.000 0.771 82 P CB 1.127 32.477 31.700 -0.584 0.000 0.864 83 V N 1.131 120.793 119.914 -0.419 0.000 2.962 83 V HA 0.605 4.725 4.120 -0.000 0.000 0.313 83 V C -0.577 175.265 176.094 -0.421 0.000 1.099 83 V CA -1.121 60.989 62.300 -0.318 0.000 0.971 83 V CB 2.162 33.844 31.823 -0.235 0.000 1.028 83 V HN 0.203 nan 8.190 nan 0.000 0.430 84 V N 4.298 123.829 119.914 -0.639 0.000 2.347 84 V HA 0.482 4.602 4.120 -0.000 0.000 0.280 84 V C 0.054 175.785 176.094 -0.605 0.000 1.021 84 V CA -0.299 61.564 62.300 -0.728 0.000 0.847 84 V CB 1.340 32.405 31.823 -1.264 0.000 0.990 84 V HN 1.026 nan 8.190 nan 0.000 0.444 85 M N 6.714 126.151 119.600 -0.272 0.000 2.080 85 M HA 0.701 5.181 4.480 -0.000 0.000 0.350 85 M C -1.347 174.955 176.300 0.004 0.000 1.173 85 M CA -0.249 54.971 55.300 -0.134 0.000 1.052 85 M CB 1.218 33.773 32.600 -0.075 0.000 1.577 85 M HN 0.577 nan 8.290 nan 0.000 0.455 86 V N 5.552 125.499 119.914 0.055 0.000 2.760 86 V HA 0.599 4.719 4.120 -0.000 0.000 0.309 86 V C -1.204 174.993 176.094 0.173 0.000 1.077 86 V CA -0.817 61.605 62.300 0.203 0.000 0.910 86 V CB 2.212 34.259 31.823 0.375 0.000 1.008 86 V HN 0.985 nan 8.190 nan 0.000 0.424 87 R N 4.897 125.492 120.500 0.159 0.000 2.347 87 R HA 0.436 4.776 4.340 -0.000 0.000 0.304 87 R C 0.129 176.504 176.300 0.125 0.000 1.072 87 R CA 0.049 56.217 56.100 0.114 0.000 0.980 87 R CB 0.683 31.032 30.300 0.082 0.000 0.986 87 R HN 0.801 nan 8.270 nan 0.000 0.448 88 Q N 2.819 122.681 119.800 0.103 0.000 2.222 88 Q HA 0.074 4.414 4.340 -0.000 0.000 0.211 88 Q C 0.565 176.606 176.000 0.070 0.000 1.013 88 Q CA -0.249 55.612 55.803 0.097 0.000 0.993 88 Q CB 0.526 29.318 28.738 0.089 0.000 1.151 88 Q HN 0.625 nan 8.270 nan 0.000 0.544 89 K N 0.648 121.083 120.400 0.060 0.000 2.057 89 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 89 K C 0.773 177.393 176.600 0.034 0.000 1.049 89 K CA 1.750 58.062 56.287 0.042 0.000 0.931 89 K CB 0.032 32.554 32.500 0.035 0.000 0.714 89 K HN 0.586 nan 8.250 nan 0.000 0.440 90 D N -0.048 120.373 120.400 0.035 0.000 2.352 90 D HA -0.062 4.578 4.640 -0.000 0.000 0.232 90 D C -0.168 176.146 176.300 0.025 0.000 1.055 90 D CA 0.347 54.363 54.000 0.027 0.000 0.891 90 D CB 0.078 40.893 40.800 0.026 0.000 0.897 90 D HN 0.209 nan 8.370 nan 0.000 0.529 91 K N -1.431 118.987 120.400 0.030 0.000 3.548 91 K HA -0.165 4.155 4.320 -0.000 0.000 0.296 91 K C 0.012 176.628 176.600 0.025 0.000 1.324 91 K CA 0.938 57.239 56.287 0.025 0.000 0.976 91 K CB -2.045 30.463 32.500 0.014 0.000 1.294 91 K HN 0.451 nan 8.250 nan 0.000 0.464 92 S N 0.414 116.134 115.700 0.034 0.000 2.652 92 S HA 0.678 5.148 4.470 -0.000 0.000 0.270 92 S C 0.229 174.860 174.600 0.051 0.000 1.243 92 S CA -0.943 57.279 58.200 0.036 0.000 0.999 92 S CB 1.418 64.641 63.200 0.039 0.000 0.973 92 S HN 0.235 nan 8.310 nan 0.000 0.544 93 I N 1.268 121.867 120.570 0.049 0.000 2.354 93 I HA 0.414 4.584 4.170 -0.000 0.000 0.292 93 I C 0.139 176.298 176.117 0.069 0.000 0.989 93 I CA -0.493 60.842 61.300 0.058 0.000 1.188 93 I CB 1.550 39.571 38.000 0.035 0.000 1.342 93 I HN 0.577 nan 8.210 nan 0.000 0.457 94 K N 5.026 125.485 120.400 0.098 0.000 2.207 94 K HA 0.722 5.042 4.320 -0.000 0.000 0.255 94 K C -1.292 175.351 176.600 0.072 0.000 0.941 94 K CA -0.766 55.594 56.287 0.121 0.000 0.825 94 K CB 2.687 35.307 32.500 0.199 0.000 1.119 94 K HN 0.263 nan 8.250 nan 0.000 0.430 95 V N 4.769 124.700 119.914 0.028 0.000 2.483 95 V HA 0.478 4.598 4.120 -0.000 0.000 0.297 95 V C -0.919 175.157 176.094 -0.029 0.000 1.027 95 V CA -0.827 61.396 62.300 -0.128 0.000 0.855 95 V CB 0.520 32.228 31.823 -0.191 0.000 0.995 95 V HN 0.667 nan 8.190 nan 0.000 0.424 96 F N 3.322 123.236 119.950 -0.060 0.000 2.603 96 F HA 0.831 5.358 4.527 -0.000 0.000 0.317 96 F C -0.846 174.982 175.800 0.047 0.000 1.066 96 F CA -1.794 56.218 58.000 0.019 0.000 0.941 96 F CB 1.299 40.287 39.000 -0.019 0.000 1.291 96 F HN 0.324 nan 8.300 nan 0.000 0.472 97 L N 2.787 124.256 121.223 0.408 0.000 2.513 97 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 97 L C 0.649 177.582 176.870 0.107 0.000 1.187 97 L CA 0.382 55.367 54.840 0.241 0.000 0.895 97 L CB -0.154 41.988 42.059 0.138 0.000 1.147 97 L HN 0.758 nan 8.230 nan 0.000 0.483 98 N N 4.666 123.328 118.700 -0.063 0.000 3.115 98 N HA 0.017 4.757 4.740 -0.000 0.000 0.305 98 N C -0.859 174.614 175.510 -0.062 0.000 1.305 98 N CA 0.273 53.251 53.050 -0.119 0.000 1.154 98 N CB -0.291 38.056 38.487 -0.233 0.000 1.454 98 N HN 0.695 nan 8.380 nan 0.000 0.551 99 Q N 0.451 120.241 119.800 -0.015 0.000 2.285 99 Q HA 0.226 4.566 4.340 -0.000 0.000 0.269 99 Q C -1.334 174.678 176.000 0.020 0.000 1.030 99 Q CA -0.698 55.105 55.803 -0.000 0.000 0.788 99 Q CB 1.612 30.349 28.738 -0.002 0.000 1.266 99 Q HN 0.317 nan 8.270 nan 0.000 0.438 100 C N 4.441 123.774 119.300 0.054 0.000 2.499 100 C HA 0.360 4.820 4.460 -0.000 0.000 0.386 100 C C 1.381 176.461 174.990 0.150 0.000 1.293 100 C CA -0.222 58.877 59.018 0.135 0.000 1.884 100 C CB -0.129 27.731 27.740 0.201 0.000 2.509 100 C HN 0.994 nan 8.230 nan 0.000 0.566 101 R N 2.171 122.827 120.500 0.261 0.000 2.323 101 R HA -0.042 4.298 4.340 -0.000 0.000 0.198 101 R C 1.869 178.286 176.300 0.195 0.000 0.988 101 R CA 0.359 56.641 56.100 0.303 0.000 1.041 101 R CB -0.353 30.259 30.300 0.520 0.000 0.926 101 R HN 0.848 nan 8.270 nan 0.000 0.476 102 H N 0.447 119.384 119.070 -0.222 0.000 2.260 102 H HA -0.003 4.553 4.556 -0.000 0.000 0.304 102 H C 0.698 175.880 175.328 -0.245 0.000 1.059 102 H CA 1.321 57.039 56.048 -0.550 0.000 1.305 102 H CB 0.507 29.457 29.762 -1.352 0.000 1.388 102 H HN -0.080 nan 8.280 nan 0.000 0.496 103 R N -0.728 119.655 120.500 -0.195 0.000 2.617 103 R HA 0.182 4.522 4.340 -0.000 0.000 0.432 103 R C 0.179 176.518 176.300 0.065 0.000 1.018 103 R CA 0.587 56.629 56.100 -0.097 0.000 1.077 103 R CB 0.214 30.466 30.300 -0.081 0.000 1.394 103 R HN 0.671 nan 8.270 nan 0.000 0.608 104 G N 0.762 109.594 108.800 0.053 0.000 2.162 104 G HA2 -0.353 3.606 3.960 -0.000 0.000 0.260 104 G HA3 -0.353 3.606 3.960 -0.000 0.000 0.260 104 G C 0.074 175.008 174.900 0.056 0.000 0.976 104 G CA 0.561 45.692 45.100 0.051 0.000 0.655 104 G HN 0.335 nan 8.290 nan 0.000 0.533 105 M N 0.947 120.605 119.600 0.096 0.000 2.238 105 M HA 0.469 4.949 4.480 -0.000 0.000 0.347 105 M C 0.882 177.213 176.300 0.052 0.000 1.173 105 M CA -0.834 54.511 55.300 0.076 0.000 1.147 105 M CB 0.471 33.157 32.600 0.142 0.000 1.547 105 M HN 0.263 nan 8.290 nan 0.000 0.455 106 R N 4.667 125.179 120.500 0.020 0.000 2.399 106 R HA 0.099 4.439 4.340 -0.000 0.000 0.324 106 R C 0.438 176.749 176.300 0.019 0.000 1.030 106 R CA 0.100 56.199 56.100 -0.001 0.000 0.984 106 R CB -0.164 30.129 30.300 -0.012 0.000 0.961 106 R HN 0.947 nan 8.270 nan 0.000 0.433 107 I N 2.864 123.431 120.570 -0.004 0.000 2.353 107 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 107 I C 1.068 177.205 176.117 0.033 0.000 1.119 107 I CA 0.548 61.868 61.300 0.033 0.000 1.417 107 I CB 0.051 38.005 38.000 -0.077 0.000 1.078 107 I HN 0.496 nan 8.210 nan 0.000 0.421 108 C N 2.012 121.260 119.300 -0.088 0.000 2.271 108 C HA 0.386 4.846 4.460 -0.000 0.000 0.323 108 C C 1.510 176.477 174.990 -0.040 0.000 1.245 108 C CA -0.601 58.349 59.018 -0.114 0.000 1.548 108 C CB -0.059 27.416 27.740 -0.441 0.000 2.214 108 C HN 0.363 nan 8.230 nan 0.000 0.477 109 R N 2.475 122.999 120.500 0.039 0.000 2.334 109 R HA 0.146 4.486 4.340 -0.000 0.000 0.212 109 R C 0.826 177.187 176.300 0.101 0.000 0.897 109 R CA 0.147 56.284 56.100 0.062 0.000 1.056 109 R CB 0.397 30.736 30.300 0.065 0.000 1.046 109 R HN 0.791 nan 8.270 nan 0.000 0.513 110 S N -0.712 115.084 115.700 0.160 0.000 2.681 110 S HA 0.248 4.718 4.470 -0.000 0.000 0.299 110 S C 0.150 174.911 174.600 0.268 0.000 1.113 110 S CA -0.955 57.372 58.200 0.212 0.000 1.013 110 S CB 1.958 65.317 63.200 0.265 0.000 1.076 110 S HN -0.151 nan 8.310 nan 0.000 0.534 111 D N 1.146 121.656 120.400 0.183 0.000 2.097 111 D HA 0.289 4.929 4.640 -0.000 0.000 0.197 111 D C 0.802 177.187 176.300 0.142 0.000 0.984 111 D CA 1.831 55.911 54.000 0.134 0.000 0.826 111 D CB -0.229 40.588 40.800 0.030 0.000 0.973 111 D HN 0.834 nan 8.370 nan 0.000 0.460 112 A N -1.814 121.030 122.820 0.040 0.000 2.586 112 A HA 0.694 5.014 4.320 -0.000 0.000 0.290 112 A C -0.029 177.175 177.584 -0.632 0.000 1.086 112 A CA -0.001 51.837 52.037 -0.332 0.000 0.665 112 A CB 1.320 20.183 19.000 -0.229 0.000 1.279 112 A HN 0.398 nan 8.150 nan 0.000 0.423 113 G N -0.089 108.092 108.800 -1.031 0.000 2.302 113 G HA2 0.267 4.227 3.960 -0.000 0.000 0.264 113 G HA3 0.267 4.227 3.960 -0.000 0.000 0.264 113 G C -1.378 173.119 174.900 -0.672 0.000 1.335 113 G CA -0.122 44.583 45.100 -0.658 0.000 0.982 113 G HN 1.174 nan 8.290 nan 0.000 0.473 114 N N 0.501 119.097 118.700 -0.173 0.000 2.321 114 N HA 0.674 5.414 4.740 -0.000 0.000 0.299 114 N C -0.496 175.170 175.510 0.259 0.000 1.048 114 N CA 0.236 53.318 53.050 0.053 0.000 0.836 114 N CB 1.899 40.397 38.487 0.018 0.000 1.269 114 N HN 1.252 nan 8.380 nan 0.000 0.486 115 A N 2.679 125.650 122.820 0.251 0.000 2.475 115 A HA 0.438 4.758 4.320 -0.000 0.000 0.301 115 A C -0.013 177.504 177.584 -0.111 0.000 1.059 115 A CA -0.533 51.502 52.037 -0.004 0.000 0.710 115 A CB 1.688 20.443 19.000 -0.409 0.000 1.288 115 A HN 0.729 nan 8.150 nan 0.000 0.408 116 K N 0.220 120.541 120.400 -0.131 0.000 2.334 116 K HA 0.525 4.845 4.320 -0.000 0.000 0.195 116 K C 0.443 176.947 176.600 -0.160 0.000 1.045 116 K CA 1.342 57.567 56.287 -0.103 0.000 1.004 116 K CB 0.770 33.240 32.500 -0.050 0.000 0.837 116 K HN 0.932 nan 8.250 nan 0.000 0.510 117 A N -0.263 122.399 122.820 -0.264 0.000 2.609 117 A HA 0.693 5.013 4.320 -0.000 0.000 0.291 117 A C -1.645 175.690 177.584 -0.415 0.000 1.096 117 A CA -0.729 51.164 52.037 -0.239 0.000 0.684 117 A CB 0.772 19.733 19.000 -0.064 0.000 1.282 117 A HN 0.057 nan 8.150 nan 0.000 0.412 118 F N 1.200 121.218 119.950 0.114 0.000 2.403 118 F HA 0.486 5.013 4.527 -0.000 0.000 0.355 118 F C 0.374 176.315 175.800 0.234 0.000 1.119 118 F CA -0.209 57.862 58.000 0.119 0.000 1.007 118 F CB 2.489 41.553 39.000 0.107 0.000 1.194 118 F HN 0.425 nan 8.300 nan 0.000 0.443 119 T N 2.085 116.833 114.554 0.324 0.000 2.794 119 T HA 0.156 4.506 4.350 -0.000 0.000 0.280 119 T C -0.561 174.318 174.700 0.298 0.000 0.987 119 T CA -0.529 61.743 62.100 0.287 0.000 0.993 119 T CB 1.277 70.247 68.868 0.169 0.000 0.939 119 T HN 0.694 nan 8.240 nan 0.000 0.449 120 C N 4.244 123.759 119.300 0.358 0.000 2.566 120 C HA 0.262 4.722 4.460 -0.000 0.000 0.393 120 C C 2.215 177.342 174.990 0.228 0.000 1.309 120 C CA -0.033 59.171 59.018 0.310 0.000 1.801 120 C CB -1.204 26.769 27.740 0.389 0.000 2.493 120 C HN 1.089 nan 8.230 nan 0.000 0.575 121 S N 4.392 120.198 115.700 0.177 0.000 2.447 121 S HA -0.171 4.299 4.470 -0.000 0.000 0.233 121 S C 1.559 176.251 174.600 0.155 0.000 1.006 121 S CA 1.162 59.443 58.200 0.135 0.000 0.957 121 S CB -0.546 62.706 63.200 0.088 0.000 0.773 121 S HN 0.947 nan 8.310 nan 0.000 0.507 122 Y N 1.328 121.611 120.300 -0.028 0.000 2.153 122 Y HA -0.042 4.508 4.550 -0.000 0.000 0.289 122 Y C 1.763 177.418 175.900 -0.409 0.000 1.119 122 Y CA 1.354 59.325 58.100 -0.216 0.000 1.116 122 Y CB 0.211 38.568 38.460 -0.173 0.000 1.004 122 Y HN 0.427 nan 8.280 nan 0.000 0.501 123 H N -1.626 117.486 119.070 0.069 0.000 2.916 123 H HA 0.279 4.834 4.556 -0.000 0.000 0.262 123 H C 0.854 176.270 175.328 0.146 0.000 1.178 123 H CA 0.396 56.430 56.048 -0.025 0.000 1.090 123 H CB 1.051 30.644 29.762 -0.282 0.000 1.657 123 H HN 0.437 nan 8.280 nan 0.000 0.601 124 G N 0.474 109.428 108.800 0.256 0.000 2.176 124 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.252 124 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.252 124 G C -0.518 174.561 174.900 0.298 0.000 1.024 124 G CA -0.271 44.974 45.100 0.241 0.000 0.755 124 G HN 0.243 nan 8.290 nan 0.000 0.507 125 W N 0.826 122.141 121.300 0.025 0.000 2.529 125 W HA 0.619 5.279 4.660 -0.000 0.000 0.319 125 W C 0.632 177.036 176.519 -0.192 0.000 1.362 125 W CA -0.297 56.980 57.345 -0.114 0.000 1.348 125 W CB 0.195 29.611 29.460 -0.073 0.000 1.403 125 W HN 0.632 nan 8.180 nan 0.000 0.519 126 A N 5.149 127.870 122.820 -0.165 0.000 2.306 126 A HA 0.761 5.081 4.320 -0.000 0.000 0.314 126 A C -1.620 175.745 177.584 -0.364 0.000 1.164 126 A CA -0.367 51.597 52.037 -0.123 0.000 0.822 126 A CB 0.504 19.464 19.000 -0.066 0.000 1.130 126 A HN 0.506 nan 8.150 nan 0.000 0.496 127 Y N 0.638 120.994 120.300 0.093 0.000 2.512 127 Y HA 0.424 4.974 4.550 -0.000 0.000 0.348 127 Y C 0.152 176.091 175.900 0.065 0.000 0.990 127 Y CA -1.091 57.048 58.100 0.065 0.000 1.033 127 Y CB 1.661 40.166 38.460 0.075 0.000 1.259 127 Y HN 0.854 nan 8.280 nan 0.000 0.461 128 D N 0.878 121.381 120.400 0.171 0.000 2.433 128 D HA 0.090 4.730 4.640 -0.000 0.000 0.255 128 D C 1.112 177.532 176.300 0.199 0.000 1.226 128 D CA -0.465 53.603 54.000 0.112 0.000 1.015 128 D CB 0.605 41.439 40.800 0.057 0.000 1.091 128 D HN 0.614 nan 8.370 nan 0.000 0.527 129 I N -3.679 116.984 120.570 0.155 0.000 2.916 129 I HA 0.002 4.172 4.170 -0.000 0.000 0.267 129 I C 1.681 178.018 176.117 0.367 0.000 1.263 129 I CA 1.073 62.552 61.300 0.298 0.000 1.471 129 I CB -0.479 37.627 38.000 0.176 0.000 1.089 129 I HN 0.326 nan 8.210 nan 0.000 0.468 130 A N 1.311 124.251 122.820 0.200 0.000 2.218 130 A HA 0.450 4.770 4.320 -0.000 0.000 0.209 130 A C 1.929 179.495 177.584 -0.031 0.000 1.168 130 A CA 0.536 52.659 52.037 0.143 0.000 0.804 130 A CB -0.700 18.350 19.000 0.084 0.000 0.834 130 A HN 0.824 nan 8.150 nan 0.000 0.482 131 G N -0.572 108.072 108.800 -0.259 0.000 2.137 131 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.237 131 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.237 131 G C 0.094 174.821 174.900 -0.288 0.000 1.002 131 G CA 0.507 45.065 45.100 -0.903 0.000 0.702 131 G HN 0.644 nan 8.290 nan 0.000 0.515 132 K N 0.087 120.468 120.400 -0.031 0.000 2.183 132 K HA 0.561 4.881 4.320 -0.000 0.000 0.274 132 K C 0.336 177.006 176.600 0.116 0.000 1.009 132 K CA -1.091 55.223 56.287 0.045 0.000 0.888 132 K CB 0.678 33.183 32.500 0.008 0.000 1.078 132 K HN 0.146 nan 8.250 nan 0.000 0.459 133 L N 6.823 128.101 121.223 0.091 0.000 2.565 133 L HA 0.001 4.341 4.340 -0.000 0.000 0.275 133 L C 0.602 177.341 176.870 -0.218 0.000 1.137 133 L CA 0.453 55.185 54.840 -0.179 0.000 0.915 133 L CB 0.737 42.692 42.059 -0.173 0.000 1.232 133 L HN 0.601 nan 8.230 nan 0.000 0.473 134 V N 1.623 121.393 119.914 -0.241 0.000 3.125 134 V HA 0.301 4.421 4.120 -0.000 0.000 0.249 134 V C 0.712 176.680 176.094 -0.210 0.000 1.113 134 V CA 0.265 62.462 62.300 -0.172 0.000 1.106 134 V CB -0.460 31.302 31.823 -0.101 0.000 0.768 134 V HN 0.860 nan 8.190 nan 0.000 0.468 135 N N -0.082 118.442 118.700 -0.294 0.000 2.425 135 N HA 0.438 5.178 4.740 -0.000 0.000 0.289 135 N C -2.019 173.234 175.510 -0.429 0.000 1.074 135 N CA -0.221 52.658 53.050 -0.285 0.000 0.905 135 N CB 3.035 41.410 38.487 -0.187 0.000 1.586 135 N HN 0.071 nan 8.380 nan 0.000 0.490 136 V N 4.227 123.869 119.914 -0.453 0.000 2.378 136 V HA 0.420 4.540 4.120 -0.000 0.000 0.288 136 V C -2.173 173.771 176.094 -0.251 0.000 1.016 136 V CA -1.633 60.308 62.300 -0.599 0.000 0.840 136 V CB 1.441 32.750 31.823 -0.856 0.000 0.994 136 V HN 0.602 nan 8.190 nan 0.000 0.431 137 P HA 0.260 nan 4.420 nan 0.000 0.267 137 P C -0.091 177.301 177.300 0.154 0.000 1.205 137 P CA 0.135 63.219 63.100 -0.026 0.000 0.765 137 P CB -0.051 31.726 31.700 0.129 0.000 0.828 138 F N -0.157 119.799 119.950 0.009 0.000 3.080 138 F HA -0.232 4.295 4.527 -0.000 0.000 0.292 138 F C 1.591 177.422 175.800 0.051 0.000 0.891 138 F CA 0.863 58.873 58.000 0.016 0.000 1.086 138 F CB -1.895 37.109 39.000 0.006 0.000 1.095 138 F HN 0.417 nan 8.300 nan 0.000 0.633 139 E N 0.937 121.215 120.200 0.129 0.000 2.047 139 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 139 E C 1.953 178.631 176.600 0.130 0.000 0.987 139 E CA 1.552 58.039 56.400 0.145 0.000 0.799 139 E CB 0.084 29.780 29.700 -0.007 0.000 0.752 139 E HN 0.577 nan 8.360 nan 0.000 0.449 140 K N 0.099 120.540 120.400 0.070 0.000 2.148 140 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 140 K C 1.914 178.547 176.600 0.055 0.000 1.050 140 K CA 1.457 57.776 56.287 0.054 0.000 0.942 140 K CB 0.007 32.522 32.500 0.025 0.000 0.724 140 K HN 0.227 nan 8.250 nan 0.000 0.446 141 E N -0.352 119.895 120.200 0.078 0.000 2.340 141 E HA 0.028 4.378 4.350 -0.000 0.000 0.194 141 E C 1.361 177.954 176.600 -0.011 0.000 0.996 141 E CA 0.557 56.992 56.400 0.059 0.000 0.869 141 E CB 0.476 30.256 29.700 0.133 0.000 0.835 141 E HN 0.268 nan 8.360 nan 0.000 0.493 142 A N -0.311 122.483 122.820 -0.043 0.000 2.340 142 A HA 0.325 4.645 4.320 -0.000 0.000 0.213 142 A C 0.287 177.573 177.584 -0.497 0.000 1.299 142 A CA -0.225 51.654 52.037 -0.263 0.000 0.994 142 A CB 0.441 19.244 19.000 -0.328 0.000 1.132 142 A HN 0.050 nan 8.150 nan 0.000 0.519 154 D N 5.035 125.159 120.400 -0.460 0.000 2.646 154 D HA 0.360 5.000 4.640 -0.000 0.000 0.245 154 D C 0.137 176.090 176.300 -0.578 0.000 1.099 154 D CA -0.450 53.322 54.000 -0.379 0.000 0.849 154 D CB 2.484 43.190 40.800 -0.157 0.000 1.448 154 D HN 0.714 nan 8.370 nan 0.000 0.489 155 K N 1.471 121.610 120.400 -0.435 0.000 2.288 155 K HA 0.021 4.341 4.320 -0.000 0.000 0.201 155 K C 1.548 178.045 176.600 -0.171 0.000 1.048 155 K CA 0.659 56.743 56.287 -0.340 0.000 0.956 155 K CB 0.223 32.560 32.500 -0.271 0.000 0.746 155 K HN 0.370 nan 8.250 nan 0.000 0.461 156 A N 2.162 124.892 122.820 -0.150 0.000 2.121 156 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 156 A C 1.663 179.182 177.584 -0.109 0.000 1.154 156 A CA 1.225 53.201 52.037 -0.102 0.000 0.679 156 A CB -0.224 18.723 19.000 -0.088 0.000 0.795 156 A HN 0.481 nan 8.150 nan 0.000 0.458 157 E N -3.122 116.982 120.200 -0.160 0.000 2.562 157 E HA 0.037 4.387 4.350 -0.000 0.000 0.214 157 E C 0.302 176.657 176.600 -0.409 0.000 0.979 157 E CA -0.438 55.800 56.400 -0.270 0.000 1.002 157 E CB -0.157 29.346 29.700 -0.328 0.000 1.048 157 E HN 0.720 nan 8.360 nan 0.000 0.488 158 W N 1.785 123.022 121.300 -0.104 0.000 2.991 158 W HA 0.411 5.071 4.660 -0.000 0.000 0.391 158 W C 0.937 177.555 176.519 0.164 0.000 1.054 158 W CA -0.368 56.992 57.345 0.024 0.000 1.856 158 W CB 1.137 30.592 29.460 -0.009 0.000 1.132 158 W HN 0.067 nan 8.180 nan 0.000 0.601 159 G N 1.996 110.942 108.800 0.243 0.000 2.634 159 G HA2 0.317 4.277 3.960 -0.000 0.000 0.255 159 G HA3 0.317 4.277 3.960 -0.000 0.000 0.255 159 G C -2.180 172.816 174.900 0.159 0.000 1.205 159 G CA -0.916 44.344 45.100 0.268 0.000 0.884 159 G HN -0.264 nan 8.290 nan 0.000 0.549 160 P HA 0.087 nan 4.420 nan 0.000 0.269 160 P C -0.054 177.286 177.300 0.067 0.000 1.209 160 P CA -0.560 62.558 63.100 0.030 0.000 0.776 160 P CB 0.966 32.635 31.700 -0.051 0.000 0.876 161 L N 2.842 124.112 121.223 0.078 0.000 2.513 161 L HA 0.007 4.347 4.340 -0.000 0.000 0.272 161 L C 0.418 177.481 176.870 0.323 0.000 1.187 161 L CA 0.788 55.690 54.840 0.102 0.000 0.895 161 L CB -0.281 41.740 42.059 -0.064 0.000 1.147 161 L HN 0.261 nan 8.230 nan 0.000 0.483 162 Q N 4.018 123.992 119.800 0.291 0.000 2.260 162 Q HA 0.656 4.996 4.340 -0.000 0.000 0.238 162 Q C -0.500 175.712 176.000 0.354 0.000 0.948 162 Q CA -0.220 55.768 55.803 0.308 0.000 0.895 162 Q CB 1.627 30.469 28.738 0.173 0.000 1.218 162 Q HN 0.858 nan 8.270 nan 0.000 0.470 163 A N 1.595 124.465 122.820 0.083 0.000 2.354 163 A HA 0.600 4.920 4.320 -0.000 0.000 0.321 163 A C -0.479 177.045 177.584 -0.100 0.000 1.125 163 A CA -0.750 51.176 52.037 -0.185 0.000 0.799 163 A CB 0.966 19.471 19.000 -0.826 0.000 1.293 163 A HN 0.653 nan 8.150 nan 0.000 0.452 164 R N 0.139 120.559 120.500 -0.134 0.000 2.442 164 R HA 0.395 4.735 4.340 -0.000 0.000 0.291 164 R C -1.028 175.326 176.300 0.090 0.000 1.069 164 R CA 0.008 56.096 56.100 -0.020 0.000 1.022 164 R CB 0.543 30.804 30.300 -0.065 0.000 0.976 164 R HN 0.398 nan 8.270 nan 0.000 0.443 165 V N 2.465 122.485 119.914 0.176 0.000 2.417 165 V HA 0.659 4.778 4.120 -0.000 0.000 0.291 165 V C -0.098 176.127 176.094 0.219 0.000 1.024 165 V CA -0.731 61.691 62.300 0.204 0.000 0.861 165 V CB 1.495 33.373 31.823 0.093 0.000 0.985 165 V HN 0.923 nan 8.190 nan 0.000 0.436 166 A N 3.289 126.235 122.820 0.210 0.000 2.454 166 A HA 0.909 5.229 4.320 -0.000 0.000 0.302 166 A C -0.384 177.225 177.584 0.041 0.000 1.079 166 A CA -0.585 51.442 52.037 -0.015 0.000 0.731 166 A CB 2.149 20.887 19.000 -0.438 0.000 1.299 166 A HN 0.630 nan 8.150 nan 0.000 0.413 167 T N 0.959 115.525 114.554 0.021 0.000 2.841 167 T HA 0.545 4.894 4.350 -0.000 0.000 0.283 167 T C -1.759 173.008 174.700 0.110 0.000 1.000 167 T CA 0.038 62.179 62.100 0.069 0.000 0.977 167 T CB 0.752 69.618 68.868 -0.004 0.000 0.979 167 T HN 0.488 nan 8.240 nan 0.000 0.446 168 Y N 3.684 124.012 120.300 0.047 0.000 2.332 168 Y HA 0.289 4.839 4.550 -0.000 0.000 0.326 168 Y C 0.264 176.170 175.900 0.010 0.000 0.978 168 Y CA -0.905 57.201 58.100 0.009 0.000 1.205 168 Y CB 0.606 39.065 38.460 -0.002 0.000 1.131 168 Y HN 0.547 nan 8.280 nan 0.000 0.462 169 K N 4.612 124.733 120.400 -0.466 0.000 3.177 169 K HA -0.262 4.058 4.320 -0.000 0.000 0.266 169 K C 0.884 177.385 176.600 -0.165 0.000 0.937 169 K CA 1.244 57.311 56.287 -0.366 0.000 0.702 169 K CB -1.713 30.485 32.500 -0.503 0.000 1.365 169 K HN 1.297 nan 8.250 nan 0.000 0.466 170 G N -1.087 107.597 108.800 -0.194 0.000 2.349 170 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.213 170 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.213 170 G C 0.201 174.775 174.900 -0.542 0.000 1.044 170 G CA -0.046 44.810 45.100 -0.406 0.000 0.633 170 G HN 0.203 nan 8.290 nan 0.000 0.506 171 L N 1.551 122.692 121.223 -0.137 0.000 2.417 171 L HA 0.572 4.912 4.340 -0.000 0.000 0.268 171 L C 0.372 177.213 176.870 -0.049 0.000 1.158 171 L CA -0.692 54.120 54.840 -0.047 0.000 0.819 171 L CB 1.449 43.571 42.059 0.105 0.000 1.112 171 L HN 0.025 nan 8.230 nan 0.000 0.458 172 V N 2.931 122.757 119.914 -0.147 0.000 2.357 172 V HA 0.389 4.509 4.120 -0.000 0.000 0.284 172 V C -0.423 175.562 176.094 -0.182 0.000 1.018 172 V CA -0.357 61.897 62.300 -0.077 0.000 0.841 172 V CB 1.101 32.891 31.823 -0.055 0.000 0.991 172 V HN 0.361 nan 8.190 nan 0.000 0.437 173 F N 2.732 122.727 119.950 0.075 0.000 2.480 173 F HA 0.848 5.375 4.527 -0.000 0.000 0.329 173 F C 0.467 176.449 175.800 0.304 0.000 1.091 173 F CA -0.471 57.632 58.000 0.172 0.000 0.972 173 F CB 2.037 41.128 39.000 0.151 0.000 1.150 173 F HN 0.554 nan 8.300 nan 0.000 0.467 174 A N 2.505 125.564 122.820 0.399 0.000 2.413 174 A HA 0.739 5.059 4.320 -0.000 0.000 0.307 174 A C -1.389 176.019 177.584 -0.292 0.000 1.087 174 A CA -0.637 51.452 52.037 0.087 0.000 0.750 174 A CB 1.714 20.596 19.000 -0.197 0.000 1.296 174 A HN 0.670 nan 8.150 nan 0.000 0.423 175 N N 0.524 118.786 118.700 -0.730 0.000 2.369 175 N HA 0.236 4.976 4.740 -0.000 0.000 0.287 175 N C -0.386 174.759 175.510 -0.608 0.000 1.067 175 N CA -0.503 51.991 53.050 -0.927 0.000 0.888 175 N CB 1.247 38.643 38.487 -1.819 0.000 1.616 175 N HN 0.720 nan 8.380 nan 0.000 0.482 176 W N 0.379 121.529 121.300 -0.250 0.000 2.453 176 W HA 0.092 4.752 4.660 -0.000 0.000 0.289 176 W C 0.726 177.164 176.519 -0.135 0.000 1.215 176 W CA -0.133 57.125 57.345 -0.145 0.000 1.297 176 W CB 0.203 29.613 29.460 -0.083 0.000 1.113 176 W HN 0.427 nan 8.180 nan 0.000 0.551 177 D N 0.706 121.148 120.400 0.069 0.000 2.339 177 D HA 0.007 4.647 4.640 -0.000 0.000 0.256 177 D C 1.353 177.622 176.300 -0.052 0.000 1.214 177 D CA 0.070 54.106 54.000 0.060 0.000 0.877 177 D CB 1.732 42.636 40.800 0.174 0.000 1.111 177 D HN 0.031 nan 8.370 nan 0.000 0.478 178 V N 1.962 121.873 119.914 -0.006 0.000 2.809 178 V HA -0.145 3.975 4.120 -0.000 0.000 0.256 178 V C 1.629 177.687 176.094 -0.060 0.000 1.080 178 V CA 1.178 63.460 62.300 -0.029 0.000 1.102 178 V CB -0.589 31.236 31.823 0.004 0.000 0.705 178 V HN 0.465 nan 8.190 nan 0.000 0.475 179 Q N 0.758 120.528 119.800 -0.050 0.000 2.424 179 Q HA 0.418 4.758 4.340 -0.000 0.000 0.204 179 Q C 1.316 177.063 176.000 -0.422 0.000 0.933 179 Q CA 0.452 56.204 55.803 -0.085 0.000 0.929 179 Q CB 0.155 28.952 28.738 0.099 0.000 1.037 179 Q HN 0.791 nan 8.270 nan 0.000 0.511 180 A N 2.765 125.206 122.820 -0.631 0.000 2.448 180 A HA 0.210 4.530 4.320 -0.000 0.000 0.239 180 A C -2.062 175.136 177.584 -0.645 0.000 1.080 180 A CA -1.013 50.311 52.037 -1.189 0.000 0.779 180 A CB -0.285 18.305 19.000 -0.683 0.000 1.026 180 A HN 0.033 nan 8.150 nan 0.000 0.499 181 P HA 0.117 nan 4.420 nan 0.000 0.272 181 P C -0.577 176.804 177.300 0.135 0.000 1.240 181 P CA -0.400 62.588 63.100 -0.185 0.000 0.791 181 P CB 0.362 31.958 31.700 -0.173 0.000 0.978 182 D N 0.906 121.365 120.400 0.098 0.000 2.362 182 D HA -0.068 4.572 4.640 -0.000 0.000 0.238 182 D C 1.249 177.514 176.300 -0.059 0.000 1.212 182 D CA -0.459 53.603 54.000 0.104 0.000 0.902 182 D CB 0.793 41.586 40.800 -0.011 0.000 1.180 182 D HN 0.116 nan 8.370 nan 0.000 0.445 183 L N 0.451 121.315 121.223 -0.599 0.000 2.042 183 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 183 L C 2.299 178.922 176.870 -0.411 0.000 1.076 183 L CA 1.730 55.953 54.840 -1.029 0.000 0.749 183 L CB -0.607 40.646 42.059 -1.344 0.000 0.893 183 L HN 0.384 nan 8.230 nan 0.000 0.432 184 E N -0.829 119.210 120.200 -0.269 0.000 2.077 184 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 184 E C 2.049 178.605 176.600 -0.073 0.000 0.989 184 E CA 1.953 58.258 56.400 -0.158 0.000 0.800 184 E CB -0.499 29.151 29.700 -0.084 0.000 0.746 184 E HN 0.562 nan 8.360 nan 0.000 0.452 185 T N 0.760 115.293 114.554 -0.036 0.000 2.777 185 T HA -0.173 4.177 4.350 -0.000 0.000 0.266 185 T C 1.729 176.482 174.700 0.088 0.000 1.040 185 T CA 1.201 63.296 62.100 -0.009 0.000 1.141 185 T CB -0.528 68.306 68.868 -0.056 0.000 0.868 185 T HN 0.240 nan 8.240 nan 0.000 0.444 186 Y N 1.776 122.104 120.300 0.046 0.000 2.165 186 Y HA -0.143 4.407 4.550 -0.000 0.000 0.286 186 Y C 1.979 178.134 175.900 0.426 0.000 1.155 186 Y CA 1.266 59.576 58.100 0.350 0.000 1.164 186 Y CB -0.421 38.239 38.460 0.334 0.000 0.978 186 Y HN 0.133 nan 8.280 nan 0.000 0.513 187 L N -0.799 120.555 121.223 0.218 0.000 2.044 187 L HA 0.032 4.372 4.340 -0.000 0.000 0.205 187 L C 1.986 178.941 176.870 0.142 0.000 1.075 187 L CA 0.759 55.603 54.840 0.006 0.000 0.747 187 L CB -1.336 40.558 42.059 -0.275 0.000 0.903 187 L HN 0.532 nan 8.230 nan 0.000 0.435 188 G N 1.296 110.167 108.800 0.118 0.000 2.547 188 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.271 188 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.271 188 G C 0.322 175.310 174.900 0.146 0.000 1.209 188 G CA 0.315 45.507 45.100 0.153 0.000 0.959 188 G HN 0.521 nan 8.290 nan 0.000 0.563 189 D N 1.241 121.779 120.400 0.231 0.000 2.338 189 D HA 0.361 5.001 4.640 -0.000 0.000 0.239 189 D C 1.879 178.359 176.300 0.300 0.000 1.095 189 D CA 1.400 55.540 54.000 0.233 0.000 0.888 189 D CB -0.413 40.558 40.800 0.285 0.000 0.899 189 D HN 1.025 nan 8.370 nan 0.000 0.525 190 A N 0.386 123.426 122.820 0.367 0.000 2.169 190 A HA 0.039 4.359 4.320 -0.000 0.000 0.212 190 A C 2.239 179.914 177.584 0.151 0.000 1.153 190 A CA 0.009 52.282 52.037 0.393 0.000 0.756 190 A CB -0.337 18.910 19.000 0.412 0.000 0.813 190 A HN 0.086 nan 8.150 nan 0.000 0.471 191 R N 0.089 120.597 120.500 0.014 0.000 2.080 191 R HA -0.129 4.211 4.340 -0.000 0.000 0.236 191 R C -0.823 175.475 176.300 -0.003 0.000 1.137 191 R CA 2.060 58.122 56.100 -0.062 0.000 0.943 191 R CB -1.323 28.928 30.300 -0.081 0.000 0.846 191 R HN 0.352 nan 8.270 nan 0.000 0.431 192 P HA -0.164 nan 4.420 nan 0.000 0.219 192 P C 0.439 177.527 177.300 -0.354 0.000 1.146 192 P CA 1.408 64.341 63.100 -0.278 0.000 0.808 192 P CB -0.031 31.375 31.700 -0.490 0.000 0.779 193 Y N -1.952 118.263 120.300 -0.142 0.000 2.420 193 Y HA 0.045 4.595 4.550 -0.000 0.000 0.292 193 Y C 2.414 178.350 175.900 0.060 0.000 1.119 193 Y CA 0.611 58.631 58.100 -0.133 0.000 1.229 193 Y CB -0.760 37.571 38.460 -0.216 0.000 1.026 193 Y HN -0.144 nan 8.280 nan 0.000 0.554 194 M N -0.352 119.405 119.600 0.262 0.000 2.254 194 M HA -0.178 4.302 4.480 -0.000 0.000 0.265 194 M C 1.110 177.518 176.300 0.180 0.000 1.066 194 M CA 1.343 56.818 55.300 0.291 0.000 1.123 194 M CB -0.158 32.612 32.600 0.282 0.000 1.388 194 M HN 0.116 nan 8.290 nan 0.000 0.425 195 D N 0.223 120.705 120.400 0.137 0.000 2.219 195 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 195 D C 2.096 178.402 176.300 0.010 0.000 0.970 195 D CA 1.057 55.096 54.000 0.065 0.000 0.851 195 D CB -0.305 40.512 40.800 0.028 0.000 0.943 195 D HN 0.160 nan 8.370 nan 0.000 0.488 196 V N 0.945 120.869 119.914 0.017 0.000 2.453 196 V HA -0.261 3.859 4.120 -0.000 0.000 0.252 196 V C 2.314 178.481 176.094 0.122 0.000 1.068 196 V CA 1.597 63.915 62.300 0.029 0.000 1.070 196 V CB -0.445 31.433 31.823 0.092 0.000 0.664 196 V HN 0.258 nan 8.190 nan 0.000 0.461 197 M N -1.395 118.295 119.600 0.151 0.000 2.466 197 M HA 0.137 4.617 4.480 -0.000 0.000 0.265 197 M C 1.739 178.069 176.300 0.051 0.000 1.122 197 M CA 1.399 56.792 55.300 0.156 0.000 1.157 197 M CB 0.306 32.951 32.600 0.076 0.000 1.352 197 M HN 0.247 nan 8.290 nan 0.000 0.464 198 L N -1.000 120.231 121.223 0.015 0.000 2.556 198 L HA 0.134 4.474 4.340 -0.000 0.000 0.226 198 L C 0.380 177.225 176.870 -0.042 0.000 1.089 198 L CA 0.205 55.036 54.840 -0.014 0.000 0.864 198 L CB 0.229 42.281 42.059 -0.011 0.000 1.067 198 L HN 0.128 nan 8.230 nan 0.000 0.477 199 D N -0.379 119.993 120.400 -0.048 0.000 2.788 199 D HA 0.118 4.758 4.640 -0.000 0.000 0.289 199 D C 1.474 177.726 176.300 -0.080 0.000 1.340 199 D CA 0.022 53.981 54.000 -0.068 0.000 0.831 199 D CB 0.403 41.164 40.800 -0.065 0.000 1.103 199 D HN -0.025 nan 8.370 nan 0.000 0.476 200 R N -0.779 119.672 120.500 -0.082 0.000 2.200 200 R HA 0.115 4.455 4.340 -0.000 0.000 0.208 200 R C 0.592 176.837 176.300 -0.091 0.000 1.033 200 R CA 0.761 56.788 56.100 -0.120 0.000 1.000 200 R CB 0.253 30.467 30.300 -0.143 0.000 0.906 200 R HN 0.197 nan 8.270 nan 0.000 0.462 201 T N -2.558 111.965 114.554 -0.053 0.000 2.900 201 T HA 0.288 4.638 4.350 -0.000 0.000 0.295 201 T C -2.298 172.383 174.700 -0.032 0.000 1.044 201 T CA -1.965 60.115 62.100 -0.034 0.000 0.995 201 T CB 2.590 71.457 68.868 -0.002 0.000 1.072 201 T HN -0.240 nan 8.240 nan 0.000 0.473 202 P HA 0.041 nan 4.420 nan 0.000 0.223 202 P C 1.389 178.675 177.300 -0.023 0.000 1.151 202 P CA 0.696 63.780 63.100 -0.028 0.000 0.787 202 P CB -0.205 31.481 31.700 -0.023 0.000 0.788 203 A N -0.441 122.371 122.820 -0.013 0.000 2.067 203 A HA 0.397 4.717 4.320 -0.000 0.000 0.217 203 A C 1.322 178.902 177.584 -0.006 0.000 1.156 203 A CA 1.128 53.161 52.037 -0.007 0.000 0.683 203 A CB -1.165 17.837 19.000 0.003 0.000 0.808 203 A HN 0.405 nan 8.150 nan 0.000 0.455 204 G N -1.469 107.325 108.800 -0.010 0.000 2.615 204 G HA2 0.062 4.022 3.960 -0.000 0.000 0.218 204 G HA3 0.062 4.022 3.960 -0.000 0.000 0.218 204 G C 0.068 174.979 174.900 0.019 0.000 1.339 204 G CA 0.085 45.183 45.100 -0.004 0.000 0.884 204 G HN 1.461 nan 8.290 nan 0.000 0.559 205 T N -2.935 111.651 114.554 0.054 0.000 2.952 205 T HA 0.787 5.137 4.350 -0.000 0.000 0.286 205 T C -0.307 174.402 174.700 0.015 0.000 1.024 205 T CA -0.080 62.038 62.100 0.030 0.000 1.029 205 T CB 2.152 71.032 68.868 0.021 0.000 1.094 205 T HN 2.023 nan 8.240 nan 0.000 0.515 206 V N 0.162 119.985 119.914 -0.153 0.000 2.876 206 V HA 0.776 4.896 4.120 -0.000 0.000 0.312 206 V C -0.517 175.311 176.094 -0.442 0.000 1.085 206 V CA -0.967 61.177 62.300 -0.261 0.000 0.945 206 V CB 1.708 33.469 31.823 -0.103 0.000 1.017 206 V HN 1.419 nan 8.190 nan 0.000 0.428 207 A N 6.392 128.857 122.820 -0.592 0.000 2.328 207 A HA 0.671 4.991 4.320 -0.000 0.000 0.284 207 A C -0.098 177.382 177.584 -0.175 0.000 1.160 207 A CA -0.422 51.371 52.037 -0.407 0.000 0.818 207 A CB 0.062 18.639 19.000 -0.705 0.000 1.087 207 A HN 0.823 nan 8.150 nan 0.000 0.504 208 I N 2.401 122.949 120.570 -0.037 0.000 2.710 208 I HA 0.103 4.273 4.170 -0.000 0.000 0.286 208 I C 1.534 177.686 176.117 0.059 0.000 1.181 208 I CA 0.312 61.625 61.300 0.022 0.000 1.430 208 I CB 0.529 38.569 38.000 0.068 0.000 1.367 208 I HN 0.787 nan 8.210 nan 0.000 0.577 209 G N 4.156 112.981 108.800 0.042 0.000 2.474 209 G HA2 0.401 4.361 3.960 -0.000 0.000 0.233 209 G HA3 0.401 4.361 3.960 -0.000 0.000 0.233 209 G C 0.279 175.228 174.900 0.082 0.000 1.278 209 G CA 0.381 45.516 45.100 0.057 0.000 0.861 209 G HN 1.201 nan 8.290 nan 0.000 0.567 210 G N 0.034 108.878 108.800 0.074 0.000 2.907 210 G HA2 0.257 4.217 3.960 -0.000 0.000 0.686 210 G HA3 0.257 4.217 3.960 -0.000 0.000 0.686 210 G C -0.592 174.368 174.900 0.100 0.000 1.115 210 G CA 0.014 45.152 45.100 0.064 0.000 0.760 210 G HN 1.398 nan 8.290 nan 0.000 0.620 211 M N 1.986 121.608 119.600 0.037 0.000 2.124 211 M HA 0.522 5.002 4.480 -0.000 0.000 0.280 211 M C -0.069 176.238 176.300 0.012 0.000 0.954 211 M CA -0.669 54.663 55.300 0.053 0.000 0.958 211 M CB 1.279 33.834 32.600 -0.076 0.000 1.611 211 M HN 0.649 nan 8.290 nan 0.000 0.449 212 Q N 3.782 123.667 119.800 0.141 0.000 2.314 212 Q HA 0.363 4.703 4.340 -0.000 0.000 0.258 212 Q C -1.116 174.975 176.000 0.153 0.000 0.954 212 Q CA 0.318 56.252 55.803 0.218 0.000 0.890 212 Q CB 1.109 30.111 28.738 0.441 0.000 1.210 212 Q HN 0.494 nan 8.270 nan 0.000 0.410 213 K N 2.724 123.206 120.400 0.137 0.000 2.578 213 K HA 0.470 4.790 4.320 -0.000 0.000 0.250 213 K C -1.537 175.251 176.600 0.313 0.000 0.955 213 K CA -0.536 55.736 56.287 -0.025 0.000 0.825 213 K CB 1.279 33.519 32.500 -0.434 0.000 1.151 213 K HN 0.617 nan 8.250 nan 0.000 0.432 214 W N 0.196 121.572 121.300 0.127 0.000 3.047 214 W HA 0.673 5.333 4.660 -0.000 0.000 0.341 214 W C -1.715 174.931 176.519 0.212 0.000 1.225 214 W CA -1.120 56.314 57.345 0.149 0.000 1.150 214 W CB 0.554 30.096 29.460 0.137 0.000 1.470 214 W HN 0.047 nan 8.180 nan 0.000 0.578 215 V N 3.130 123.253 119.914 0.347 0.000 2.384 215 V HA 0.435 4.555 4.120 -0.000 0.000 0.287 215 V C -0.185 176.086 176.094 0.295 0.000 1.020 215 V CA -0.861 61.576 62.300 0.230 0.000 0.850 215 V CB 1.018 32.952 31.823 0.186 0.000 0.987 215 V HN 0.504 nan 8.190 nan 0.000 0.436 216 I N 7.057 127.781 120.570 0.256 0.000 2.378 216 I HA 0.384 4.553 4.170 -0.000 0.000 0.291 216 I C -2.163 174.078 176.117 0.207 0.000 0.992 216 I CA -2.102 59.373 61.300 0.293 0.000 1.154 216 I CB 2.553 40.798 38.000 0.409 0.000 1.315 216 I HN 0.416 nan 8.210 nan 0.000 0.448 217 P HA 0.074 nan 4.420 nan 0.000 0.241 217 P C -0.628 176.746 177.300 0.123 0.000 1.760 217 P CA -0.051 63.122 63.100 0.122 0.000 1.081 217 P CB -0.405 31.352 31.700 0.096 0.000 1.975 218 C N 0.303 119.686 119.300 0.137 0.000 3.239 218 C HA 0.493 4.953 4.460 -0.000 0.000 0.317 218 C C -0.143 174.923 174.990 0.127 0.000 1.310 218 C CA -1.222 57.878 59.018 0.137 0.000 1.371 218 C CB 1.251 29.085 27.740 0.157 0.000 1.714 218 C HN 0.347 nan 8.230 nan 0.000 0.473 219 N N 1.670 120.476 118.700 0.177 0.000 2.492 219 N HA 0.048 4.788 4.740 -0.000 0.000 0.260 219 N C 1.213 176.667 175.510 -0.094 0.000 1.215 219 N CA 0.363 53.445 53.050 0.053 0.000 0.923 219 N CB 0.672 39.132 38.487 -0.045 0.000 1.092 219 N HN 1.009 nan 8.380 nan 0.000 0.448 220 W N 4.463 125.709 121.300 -0.090 0.000 2.392 220 W HA -0.053 4.607 4.660 0.000 0.000 0.279 220 W C 0.857 177.145 176.519 -0.386 0.000 1.225 220 W CA 0.227 57.441 57.345 -0.218 0.000 1.233 220 W CB -0.471 29.001 29.460 0.020 0.000 1.122 220 W HN 0.516 nan 8.180 nan 0.000 0.561 221 K N 0.279 120.014 120.400 -1.108 0.000 2.211 221 K HA -0.094 4.226 4.320 -0.000 0.000 0.203 221 K C 1.875 178.068 176.600 -0.680 0.000 1.050 221 K CA 1.508 57.136 56.287 -1.098 0.000 0.945 221 K CB -0.567 31.185 32.500 -1.246 0.000 0.732 221 K HN 0.101 nan 8.250 nan 0.000 0.451 222 F N 0.821 120.426 119.950 -0.575 0.000 2.113 222 F HA -0.196 4.331 4.527 -0.000 0.000 0.297 222 F C 2.568 177.774 175.800 -0.991 0.000 1.103 222 F CA 0.978 58.540 58.000 -0.730 0.000 1.248 222 F CB -0.302 38.125 39.000 -0.955 0.000 0.999 222 F HN 0.030 nan 8.300 nan 0.000 0.475 223 A N 0.089 122.176 122.820 -1.222 0.000 1.898 223 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 223 A C 2.336 179.381 177.584 -0.899 0.000 1.181 223 A CA 1.605 52.682 52.037 -1.601 0.000 0.620 223 A CB -1.248 16.277 19.000 -2.457 0.000 0.819 223 A HN 0.315 nan 8.150 nan 0.000 0.442 224 A N -0.443 121.942 122.820 -0.724 0.000 1.877 224 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 224 A C 2.086 179.664 177.584 -0.010 0.000 1.186 224 A CA 1.764 53.704 52.037 -0.162 0.000 0.620 224 A CB -0.533 18.478 19.000 0.020 0.000 0.822 224 A HN 0.631 nan 8.150 nan 0.000 0.443 225 E N -0.572 119.539 120.200 -0.149 0.000 2.072 225 E HA -0.254 4.096 4.350 -0.000 0.000 0.191 225 E C 2.213 178.837 176.600 0.041 0.000 0.985 225 E CA 1.300 57.649 56.400 -0.085 0.000 0.801 225 E CB -0.194 29.438 29.700 -0.114 0.000 0.750 225 E HN 0.754 nan 8.360 nan 0.000 0.452 226 Q N -0.636 119.205 119.800 0.067 0.000 2.096 226 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 226 Q C 1.807 177.818 176.000 0.018 0.000 0.982 226 Q CA 1.487 57.330 55.803 0.068 0.000 0.850 226 Q CB -0.074 28.772 28.738 0.179 0.000 0.901 226 Q HN 0.277 nan 8.270 nan 0.000 0.422 227 F N -1.021 118.991 119.950 0.104 0.000 2.456 227 F HA -0.087 4.440 4.527 0.000 0.000 0.298 227 F C 2.407 178.372 175.800 0.275 0.000 1.104 227 F CA 0.397 58.513 58.000 0.193 0.000 1.435 227 F CB -0.433 38.750 39.000 0.305 0.000 1.078 227 F HN 0.285 nan 8.300 nan 0.000 0.546 228 C N -1.566 117.929 119.300 0.325 0.000 2.486 228 C HA 0.018 4.478 4.460 -0.000 0.000 0.279 228 C C 2.598 177.743 174.990 0.257 0.000 1.302 228 C CA 1.550 60.710 59.018 0.237 0.000 1.720 228 C CB -0.714 27.095 27.740 0.116 0.000 2.030 228 C HN 0.429 nan 8.230 nan 0.000 0.490 229 S N -1.697 114.115 115.700 0.187 0.000 2.733 229 S HA 0.169 4.639 4.470 -0.000 0.000 0.270 229 S C -0.444 174.194 174.600 0.063 0.000 1.062 229 S CA -0.034 58.259 58.200 0.154 0.000 1.256 229 S CB -0.310 62.926 63.200 0.060 0.000 1.187 229 S HN 0.597 nan 8.310 nan 0.000 0.666 230 D N 1.887 122.211 120.400 -0.127 0.000 2.493 230 D HA 0.336 4.976 4.640 -0.000 0.000 0.235 230 D C 0.389 176.637 176.300 -0.086 0.000 1.117 230 D CA -0.249 53.735 54.000 -0.028 0.000 0.930 230 D CB 1.060 41.875 40.800 0.025 0.000 1.010 230 D HN 0.316 nan 8.370 nan 0.000 0.514 231 M N 3.129 122.733 119.600 0.007 0.000 2.510 231 M HA 0.098 4.578 4.480 -0.000 0.000 0.256 231 M C 1.259 177.790 176.300 0.384 0.000 1.132 231 M CA 0.485 55.852 55.300 0.112 0.000 1.105 231 M CB -0.099 32.513 32.600 0.020 0.000 1.375 231 M HN 0.435 nan 8.290 nan 0.000 0.477 232 Y N 0.425 120.886 120.300 0.269 0.000 2.151 232 Y HA -0.408 4.142 4.550 -0.000 0.000 0.284 232 Y C 2.639 178.547 175.900 0.013 0.000 1.166 232 Y CA 2.185 60.345 58.100 0.101 0.000 1.163 232 Y CB -0.266 38.238 38.460 0.073 0.000 0.974 232 Y HN 0.553 nan 8.280 nan 0.000 0.511 233 H N -0.807 118.233 119.070 -0.051 0.000 2.389 233 H HA -0.073 4.483 4.556 -0.000 0.000 0.299 233 H C 1.971 177.226 175.328 -0.121 0.000 1.081 233 H CA 1.361 57.300 56.048 -0.182 0.000 1.345 233 H CB -0.671 29.012 29.762 -0.132 0.000 1.393 233 H HN 0.413 nan 8.280 nan 0.000 0.520 234 A N 0.939 123.303 122.820 -0.760 0.000 2.016 234 A HA 0.149 4.469 4.320 -0.000 0.000 0.217 234 A C 2.602 180.201 177.584 0.024 0.000 1.162 234 A CA 0.768 52.614 52.037 -0.318 0.000 0.662 234 A CB -0.745 18.189 19.000 -0.108 0.000 0.812 234 A HN 0.582 nan 8.150 nan 0.000 0.450 235 G N -0.992 107.851 108.800 0.071 0.000 2.985 235 G HA2 0.260 4.220 3.960 -0.000 0.000 0.209 235 G HA3 0.260 4.220 3.960 -0.000 0.000 0.209 235 G C 0.998 175.840 174.900 -0.097 0.000 1.165 235 G CA 1.389 46.557 45.100 0.114 0.000 0.776 235 G HN 0.615 nan 8.290 nan 0.000 0.541 236 T N -2.922 111.521 114.554 -0.186 0.000 2.233 236 T HA 0.172 4.522 4.350 -0.000 0.000 0.172 236 T C 2.005 176.600 174.700 -0.175 0.000 0.740 236 T CA 1.311 63.274 62.100 -0.227 0.000 1.172 236 T CB 0.205 68.832 68.868 -0.401 0.000 2.941 236 T HN 0.040 nan 8.240 nan 0.000 0.398 237 T N -1.228 113.201 114.554 -0.209 0.000 2.990 237 T HA 0.179 4.529 4.350 -0.000 0.000 0.249 237 T C 1.970 176.558 174.700 -0.188 0.000 1.039 237 T CA 0.793 62.791 62.100 -0.170 0.000 1.036 237 T CB -0.840 67.933 68.868 -0.158 0.000 0.994 237 T HN 0.396 nan 8.240 nan 0.000 0.489 238 T N 1.675 116.078 114.554 -0.253 0.000 2.720 238 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 238 T C 1.004 175.476 174.700 -0.380 0.000 1.037 238 T CA 1.296 63.186 62.100 -0.350 0.000 1.144 238 T CB -0.320 68.302 68.868 -0.410 0.000 0.864 238 T HN 0.504 nan 8.240 nan 0.000 0.444 239 H N 0.231 119.224 119.070 -0.128 0.000 2.469 239 H HA 0.401 4.957 4.556 -0.000 0.000 0.286 239 H C 1.555 176.730 175.328 -0.256 0.000 1.106 239 H CA -0.368 55.541 56.048 -0.230 0.000 1.055 239 H CB -0.324 29.351 29.762 -0.146 0.000 1.618 239 H HN 0.277 nan 8.280 nan 0.000 0.559 240 L N 0.542 121.706 121.223 -0.099 0.000 2.042 240 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 240 L C 2.477 179.268 176.870 -0.132 0.000 1.076 240 L CA 1.916 56.696 54.840 -0.100 0.000 0.749 240 L CB -0.280 41.724 42.059 -0.092 0.000 0.893 240 L HN 0.293 nan 8.230 nan 0.000 0.432 241 S N -0.703 114.903 115.700 -0.157 0.000 2.414 241 S HA -0.050 4.420 4.470 -0.000 0.000 0.227 241 S C 2.077 176.522 174.600 -0.259 0.000 1.022 241 S CA 0.653 58.752 58.200 -0.169 0.000 0.958 241 S CB -0.826 62.288 63.200 -0.143 0.000 0.797 241 S HN 0.406 nan 8.310 nan 0.000 0.493 242 G N 2.050 110.584 108.800 -0.444 0.000 2.422 242 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.218 242 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.218 242 G C 1.385 175.878 174.900 -0.679 0.000 1.146 242 G CA 0.930 45.505 45.100 -0.876 0.000 0.769 242 G HN 0.568 nan 8.290 nan 0.000 0.547 243 I N -0.046 120.275 120.570 -0.415 0.000 2.252 243 I HA -0.062 4.108 4.170 -0.000 0.000 0.245 243 I C 2.517 178.595 176.117 -0.065 0.000 1.102 243 I CA 0.308 61.558 61.300 -0.084 0.000 1.385 243 I CB -0.207 37.796 38.000 0.005 0.000 1.064 243 I HN 0.120 nan 8.210 nan 0.000 0.414 244 L N 1.300 122.463 121.223 -0.101 0.000 2.081 244 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 244 L C 2.551 179.382 176.870 -0.065 0.000 1.080 244 L CA 2.136 56.933 54.840 -0.073 0.000 0.754 244 L CB -0.644 41.366 42.059 -0.082 0.000 0.893 244 L HN 0.228 nan 8.230 nan 0.000 0.433 245 A N -1.022 121.742 122.820 -0.093 0.000 2.015 245 A HA -0.032 4.288 4.320 -0.000 0.000 0.219 245 A C 2.280 179.846 177.584 -0.030 0.000 1.163 245 A CA 1.385 53.378 52.037 -0.072 0.000 0.646 245 A CB -1.279 17.659 19.000 -0.104 0.000 0.806 245 A HN 0.525 nan 8.150 nan 0.000 0.448 246 G N 0.032 108.832 108.800 -0.001 0.000 2.430 246 G HA2 0.218 4.178 3.960 -0.000 0.000 0.216 246 G HA3 0.218 4.178 3.960 -0.000 0.000 0.216 246 G C 0.842 175.758 174.900 0.026 0.000 1.146 246 G CA 0.687 45.810 45.100 0.040 0.000 0.793 246 G HN 0.714 nan 8.290 nan 0.000 0.537 247 I N -1.108 119.469 120.570 0.012 0.000 2.713 247 I HA 0.525 4.695 4.170 -0.000 0.000 0.300 247 I C -2.440 173.678 176.117 0.001 0.000 1.009 247 I CA -2.537 58.768 61.300 0.009 0.000 1.305 247 I CB 0.950 38.954 38.000 0.006 0.000 1.430 247 I HN -0.230 nan 8.210 nan 0.000 0.546 248 P HA 0.121 nan 4.420 nan 0.000 0.266 248 P C -2.163 175.133 177.300 -0.006 0.000 1.193 248 P CA -0.752 62.348 63.100 -0.000 0.000 0.770 248 P CB -0.184 31.517 31.700 0.002 0.000 0.836 249 P HA -0.169 nan 4.420 nan 0.000 0.218 249 P C 0.740 178.033 177.300 -0.012 0.000 1.148 249 P CA 1.437 64.529 63.100 -0.013 0.000 0.822 249 P CB -0.161 31.531 31.700 -0.013 0.000 0.784 250 E N -0.593 119.602 120.200 -0.009 0.000 2.311 250 E HA 0.139 4.489 4.350 -0.000 0.000 0.198 250 E C 0.070 176.665 176.600 -0.007 0.000 1.115 250 E CA 0.105 56.501 56.400 -0.008 0.000 1.140 250 E CB -0.537 29.160 29.700 -0.006 0.000 1.204 250 E HN 0.300 nan 8.360 nan 0.000 0.446 251 M N 2.001 121.596 119.600 -0.008 0.000 2.324 251 M HA 0.178 4.657 4.480 -0.000 0.000 0.288 251 M C -1.392 174.901 176.300 -0.012 0.000 1.097 251 M CA -0.750 54.546 55.300 -0.008 0.000 0.928 251 M CB 2.209 34.807 32.600 -0.004 0.000 1.648 251 M HN 0.026 nan 8.290 nan 0.000 0.460 252 D N 2.442 122.835 120.400 -0.013 0.000 2.616 252 D HA 0.350 4.990 4.640 -0.000 0.000 0.260 252 D C 0.585 176.875 176.300 -0.016 0.000 1.158 252 D CA -0.662 53.327 54.000 -0.018 0.000 1.085 252 D CB 0.591 41.379 40.800 -0.020 0.000 1.222 252 D HN 0.594 nan 8.370 nan 0.000 0.626 253 L N -0.015 121.195 121.223 -0.021 0.000 2.633 253 L HA -0.053 4.287 4.340 -0.000 0.000 0.235 253 L C 1.922 178.784 176.870 -0.013 0.000 1.163 253 L CA 0.352 55.181 54.840 -0.019 0.000 0.859 253 L CB -0.473 41.569 42.059 -0.027 0.000 0.973 253 L HN 0.265 nan 8.230 nan 0.000 0.451 254 S N 0.163 115.856 115.700 -0.011 0.000 2.447 254 S HA -0.116 4.354 4.470 -0.000 0.000 0.233 254 S C 1.595 176.193 174.600 -0.003 0.000 1.006 254 S CA 0.998 59.193 58.200 -0.008 0.000 0.957 254 S CB -0.010 63.186 63.200 -0.008 0.000 0.773 254 S HN 0.584 nan 8.310 nan 0.000 0.507 255 Q N -0.132 119.667 119.800 -0.002 0.000 2.155 255 Q HA 0.437 4.777 4.340 -0.000 0.000 0.220 255 Q C -0.212 175.791 176.000 0.005 0.000 0.819 255 Q CA -0.160 55.645 55.803 0.002 0.000 1.032 255 Q CB 0.323 29.063 28.738 0.003 0.000 1.151 255 Q HN 0.288 nan 8.270 nan 0.000 0.487 256 A N 1.734 124.556 122.820 0.003 0.000 2.506 256 A HA 0.283 4.603 4.320 -0.000 0.000 0.320 256 A C -0.163 177.425 177.584 0.006 0.000 1.424 256 A CA -0.326 51.715 52.037 0.007 0.000 1.044 256 A CB 0.203 19.207 19.000 0.006 0.000 1.140 256 A HN 0.315 nan 8.150 nan 0.000 0.538 257 Q N 2.569 122.373 119.800 0.006 0.000 2.297 257 Q HA 0.337 4.677 4.340 -0.000 0.000 0.267 257 Q C -0.564 175.434 176.000 -0.003 0.000 1.006 257 Q CA -0.137 55.669 55.803 0.004 0.000 0.896 257 Q CB 0.353 29.094 28.738 0.005 0.000 1.186 257 Q HN 0.702 nan 8.270 nan 0.000 0.392 258 I N 7.481 128.055 120.570 0.007 0.000 2.587 258 I HA 0.073 4.243 4.170 -0.000 0.000 0.284 258 I C -1.900 174.214 176.117 -0.005 0.000 1.134 258 I CA -1.767 59.543 61.300 0.015 0.000 1.410 258 I CB 0.300 38.323 38.000 0.039 0.000 1.392 258 I HN 0.516 nan 8.210 nan 0.000 0.545 259 P HA 0.109 nan 4.420 nan 0.000 0.271 259 P C 0.397 177.700 177.300 0.005 0.000 1.216 259 P CA -0.125 62.808 63.100 -0.278 0.000 0.771 259 P CB 0.763 31.822 31.700 -1.069 0.000 0.864 260 T N -1.402 113.202 114.554 0.084 0.000 3.009 260 T HA 0.188 4.538 4.350 -0.000 0.000 0.267 260 T C 0.335 175.190 174.700 0.259 0.000 0.942 260 T CA -0.227 62.048 62.100 0.292 0.000 0.883 260 T CB 0.033 69.079 68.868 0.297 0.000 1.192 260 T HN 0.138 nan 8.240 nan 0.000 0.524 261 K N 1.789 122.289 120.400 0.166 0.000 2.262 261 K HA 0.665 4.985 4.320 -0.000 0.000 0.282 261 K C 0.038 176.742 176.600 0.173 0.000 1.066 261 K CA -0.413 55.990 56.287 0.193 0.000 0.901 261 K CB 1.390 33.988 32.500 0.164 0.000 1.089 261 K HN 0.464 nan 8.250 nan 0.000 0.476 262 G N 2.020 110.861 108.800 0.069 0.000 2.342 262 G HA2 0.180 4.140 3.960 -0.000 0.000 0.297 262 G HA3 0.180 4.140 3.960 -0.000 0.000 0.297 262 G C -1.692 172.942 174.900 -0.444 0.000 1.313 262 G CA -0.725 44.268 45.100 -0.178 0.000 0.830 262 G HN 0.486 nan 8.290 nan 0.000 0.506 263 N N -0.479 117.616 118.700 -1.008 0.000 2.525 263 N HA 0.531 5.271 4.740 -0.000 0.000 0.270 263 N C -1.341 173.176 175.510 -1.654 0.000 1.321 263 N CA -0.558 51.792 53.050 -1.167 0.000 0.797 263 N CB 2.667 40.500 38.487 -1.090 0.000 1.529 263 N HN 0.653 nan 8.380 nan 0.000 0.491 264 Q N 0.662 119.814 119.800 -1.080 0.000 2.421 264 Q HA 0.513 4.853 4.340 -0.000 0.000 0.280 264 Q C -1.869 173.886 176.000 -0.408 0.000 1.085 264 Q CA -0.644 54.673 55.803 -0.809 0.000 0.807 264 Q CB 2.348 30.814 28.738 -0.454 0.000 1.405 264 Q HN 0.549 nan 8.270 nan 0.000 0.419 265 F N 2.609 122.328 119.950 -0.386 0.000 2.547 265 F HA 0.571 5.098 4.527 -0.000 0.000 0.316 265 F C -1.536 174.181 175.800 -0.137 0.000 1.121 265 F CA -0.729 57.151 58.000 -0.201 0.000 0.911 265 F CB 1.483 40.301 39.000 -0.303 0.000 1.179 265 F HN 0.506 nan 8.300 nan 0.000 0.443 266 R N 5.082 125.080 120.500 -0.836 0.000 2.387 266 R HA 0.786 5.126 4.340 -0.000 0.000 0.314 266 R C -0.856 174.786 176.300 -1.097 0.000 0.958 266 R CA -0.714 54.883 56.100 -0.839 0.000 0.846 266 R CB 1.418 31.490 30.300 -0.380 0.000 1.147 266 R HN 0.943 nan 8.270 nan 0.000 0.447 267 A N 3.234 125.478 122.820 -0.959 0.000 2.498 267 A HA 0.300 4.620 4.320 -0.000 0.000 0.239 267 A C 1.255 178.749 177.584 -0.150 0.000 1.068 267 A CA 0.518 52.314 52.037 -0.401 0.000 0.766 267 A CB 0.497 19.435 19.000 -0.103 0.000 1.003 267 A HN 1.029 nan 8.150 nan 0.000 0.497 268 A N 1.560 124.427 122.820 0.078 0.000 1.940 268 A HA 0.059 4.379 4.320 -0.000 0.000 0.219 268 A C 0.606 178.276 177.584 0.143 0.000 1.176 268 A CA 1.691 53.796 52.037 0.112 0.000 0.631 268 A CB -0.256 18.850 19.000 0.175 0.000 0.814 268 A HN 1.249 nan 8.150 nan 0.000 0.446 269 W N -3.352 117.884 121.300 -0.106 0.000 3.217 269 W HA 0.451 5.111 4.660 -0.000 0.000 0.323 269 W C 0.492 176.730 176.519 -0.468 0.000 1.216 269 W CA 0.177 57.397 57.345 -0.208 0.000 1.194 269 W CB 1.063 30.461 29.460 -0.104 0.000 1.397 269 W HN 0.789 nan 8.180 nan 0.000 0.537 270 G N 1.605 109.306 108.800 -1.832 0.000 2.231 270 G HA2 0.164 4.124 3.960 -0.000 0.000 0.206 270 G HA3 0.164 4.124 3.960 -0.000 0.000 0.206 270 G C 0.998 174.613 174.900 -2.142 0.000 0.996 270 G CA 0.562 44.144 45.100 -2.529 0.000 0.645 270 G HN 2.211 nan 8.290 nan 0.000 0.498 271 G N -0.049 107.942 108.800 -1.350 0.000 2.160 271 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.251 271 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.251 271 G C 0.244 174.845 174.900 -0.500 0.000 1.008 271 G CA 0.887 45.488 45.100 -0.832 0.000 0.724 271 G HN 1.358 nan 8.290 nan 0.000 0.514 272 H N 0.142 119.051 119.070 -0.268 0.000 2.615 272 H HA 0.625 5.181 4.556 -0.000 0.000 0.363 272 H C 0.793 176.015 175.328 -0.175 0.000 1.148 272 H CA 0.463 56.455 56.048 -0.092 0.000 1.401 272 H CB 1.454 31.221 29.762 0.008 0.000 1.461 272 H HN 0.763 nan 8.280 nan 0.000 0.588 273 G N -0.544 108.297 108.800 0.068 0.000 2.720 273 G HA2 0.424 4.384 3.960 -0.000 0.000 0.295 273 G HA3 0.424 4.384 3.960 -0.000 0.000 0.295 273 G C -1.266 173.684 174.900 0.082 0.000 1.437 273 G CA -0.440 44.637 45.100 -0.038 0.000 0.886 273 G HN 0.615 nan 8.290 nan 0.000 0.509 274 S N -1.176 114.571 115.700 0.079 0.000 2.579 274 S HA 0.909 5.379 4.470 -0.000 0.000 0.272 274 S C -0.249 174.207 174.600 -0.241 0.000 1.141 274 S CA 0.094 58.279 58.200 -0.024 0.000 0.843 274 S CB 1.869 65.130 63.200 0.102 0.000 1.122 274 S HN 1.800 nan 8.310 nan 0.000 0.468 275 G N 1.450 109.818 108.800 -0.719 0.000 2.706 275 G HA2 0.745 4.705 3.960 -0.000 0.000 0.297 275 G HA3 0.745 4.705 3.960 -0.000 0.000 0.297 275 G C -1.828 172.763 174.900 -0.515 0.000 1.403 275 G CA -0.625 43.967 45.100 -0.847 0.000 0.954 275 G HN 0.954 nan 8.290 nan 0.000 0.500 276 W N 0.375 121.358 121.300 -0.528 0.000 3.248 276 W HA 0.692 5.352 4.660 0.000 0.000 0.311 276 W C -1.962 174.324 176.519 -0.388 0.000 1.258 276 W CA -1.992 55.100 57.345 -0.421 0.000 1.191 276 W CB 0.760 30.065 29.460 -0.258 0.000 1.389 276 W HN 0.546 nan 8.180 nan 0.000 0.561 277 Y N 1.392 121.739 120.300 0.077 0.000 2.320 277 Y HA 0.593 5.143 4.550 -0.000 0.000 0.324 277 Y C 0.243 176.269 175.900 0.209 0.000 1.190 277 Y CA -1.213 56.910 58.100 0.040 0.000 1.215 277 Y CB 1.634 40.125 38.460 0.053 0.000 1.221 277 Y HN 0.218 nan 8.280 nan 0.000 0.486 278 V N 2.628 122.761 119.914 0.364 0.000 2.495 278 V HA 0.178 4.298 4.120 -0.000 0.000 0.298 278 V C -0.659 175.590 176.094 0.258 0.000 1.031 278 V CA -1.075 61.439 62.300 0.358 0.000 0.871 278 V CB 1.516 33.585 31.823 0.411 0.000 0.988 278 V HN 0.909 nan 8.190 nan 0.000 0.432 279 D N 3.110 123.647 120.400 0.229 0.000 2.723 279 D HA -0.170 4.470 4.640 -0.000 0.000 0.236 279 D C 0.264 176.642 176.300 0.129 0.000 1.138 279 D CA 1.073 55.172 54.000 0.165 0.000 0.676 279 D CB -0.515 40.372 40.800 0.145 0.000 1.069 279 D HN 0.815 nan 8.370 nan 0.000 0.430 280 E N -0.470 119.813 120.200 0.139 0.000 4.052 280 E HA 0.191 4.540 4.350 -0.000 0.000 0.219 280 E C -1.723 174.929 176.600 0.088 0.000 1.166 280 E CA -1.061 55.383 56.400 0.074 0.000 1.338 280 E CB 0.816 30.517 29.700 0.002 0.000 1.212 280 E HN 0.025 nan 8.360 nan 0.000 0.432 281 P HA -0.013 nan 4.420 nan 0.000 0.229 281 P C 1.262 178.610 177.300 0.081 0.000 1.160 281 P CA 0.637 63.801 63.100 0.107 0.000 0.777 281 P CB 0.410 32.172 31.700 0.104 0.000 0.814 282 G N 0.988 109.822 108.800 0.056 0.000 2.471 282 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 282 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 282 G C 1.735 176.664 174.900 0.048 0.000 1.125 282 G CA 1.052 46.177 45.100 0.042 0.000 0.775 282 G HN 0.462 nan 8.290 nan 0.000 0.548 283 S N 0.043 115.776 115.700 0.055 0.000 2.414 283 S HA 0.045 4.515 4.470 -0.000 0.000 0.227 283 S C 2.206 176.900 174.600 0.156 0.000 1.022 283 S CA 0.939 59.195 58.200 0.093 0.000 0.958 283 S CB -0.186 63.052 63.200 0.064 0.000 0.797 283 S HN 0.179 nan 8.310 nan 0.000 0.493 284 L N 1.204 122.522 121.223 0.159 0.000 2.072 284 L HA 0.239 4.578 4.340 -0.000 0.000 0.205 284 L C 2.220 179.126 176.870 0.059 0.000 1.079 284 L CA 1.414 56.355 54.840 0.168 0.000 0.752 284 L CB -1.012 41.121 42.059 0.124 0.000 0.906 284 L HN 0.398 nan 8.230 nan 0.000 0.436 285 L N 0.260 121.508 121.223 0.042 0.000 2.043 285 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 285 L C 2.457 179.321 176.870 -0.010 0.000 1.075 285 L CA 2.198 57.041 54.840 0.005 0.000 0.752 285 L CB -1.078 40.995 42.059 0.024 0.000 0.891 285 L HN 0.299 nan 8.230 nan 0.000 0.432 286 A N -1.572 121.261 122.820 0.021 0.000 1.969 286 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 286 A C 2.145 179.739 177.584 0.017 0.000 1.169 286 A CA 1.889 53.950 52.037 0.039 0.000 0.635 286 A CB -0.743 18.305 19.000 0.080 0.000 0.810 286 A HN 0.342 nan 8.150 nan 0.000 0.445 287 V N -1.255 118.613 119.914 -0.078 0.000 2.492 287 V HA -0.020 4.100 4.120 -0.000 0.000 0.241 287 V C 2.176 178.097 176.094 -0.288 0.000 1.041 287 V CA 1.413 63.545 62.300 -0.280 0.000 1.057 287 V CB -0.296 31.118 31.823 -0.681 0.000 0.711 287 V HN 0.461 nan 8.190 nan 0.000 0.468 288 M N -0.667 118.742 119.600 -0.319 0.000 2.337 288 M HA 0.394 4.874 4.480 -0.000 0.000 0.256 288 M C 0.986 176.748 176.300 -0.897 0.000 1.075 288 M CA 0.945 55.910 55.300 -0.558 0.000 1.024 288 M CB 0.237 32.658 32.600 -0.298 0.000 1.429 288 M HN 0.505 nan 8.290 nan 0.000 0.497 289 G N 1.866 110.392 108.800 -0.456 0.000 2.757 289 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.638 289 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.638 289 G C -2.406 172.402 174.900 -0.153 0.000 1.344 289 G CA -0.468 44.469 45.100 -0.272 0.000 0.855 289 G HN 0.098 nan 8.290 nan 0.000 0.537 290 P HA 0.029 nan 4.420 nan 0.000 0.224 290 P C 1.468 178.765 177.300 -0.005 0.000 1.157 290 P CA 1.334 64.423 63.100 -0.017 0.000 0.799 290 P CB 0.088 31.791 31.700 0.005 0.000 0.809 291 K N -0.157 120.227 120.400 -0.026 0.000 2.062 291 K HA -0.016 4.304 4.320 -0.000 0.000 0.205 291 K C 2.101 178.709 176.600 0.012 0.000 1.051 291 K CA 1.069 57.355 56.287 -0.000 0.000 0.941 291 K CB -0.657 31.834 32.500 -0.015 0.000 0.719 291 K HN -0.038 nan 8.250 nan 0.000 0.440 292 V N 1.470 121.326 119.914 -0.096 0.000 2.427 292 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 292 V C 2.092 178.246 176.094 0.100 0.000 1.051 292 V CA 1.992 64.229 62.300 -0.105 0.000 1.048 292 V CB -0.669 30.904 31.823 -0.417 0.000 0.666 292 V HN 0.384 nan 8.190 nan 0.000 0.456 293 T N -0.646 113.939 114.554 0.052 0.000 2.720 293 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 293 T C 1.977 176.785 174.700 0.180 0.000 1.037 293 T CA 1.402 63.574 62.100 0.120 0.000 1.144 293 T CB -0.251 68.656 68.868 0.066 0.000 0.864 293 T HN 0.387 nan 8.240 nan 0.000 0.444 294 Q N -0.051 119.836 119.800 0.145 0.000 2.046 294 Q HA -0.042 4.298 4.340 -0.000 0.000 0.200 294 Q C 2.083 178.195 176.000 0.187 0.000 0.975 294 Q CA 1.304 57.192 55.803 0.141 0.000 0.836 294 Q CB -0.627 28.175 28.738 0.107 0.000 0.896 294 Q HN 0.674 nan 8.270 nan 0.000 0.428 295 Y N -0.164 120.207 120.300 0.118 0.000 2.207 295 Y HA -0.239 4.310 4.550 -0.000 0.000 0.287 295 Y C 1.987 178.009 175.900 0.202 0.000 1.156 295 Y CA 1.478 59.666 58.100 0.147 0.000 1.182 295 Y CB -0.212 38.350 38.460 0.169 0.000 0.979 295 Y HN 0.252 nan 8.280 nan 0.000 0.521 296 W N 0.539 121.902 121.300 0.104 0.000 2.518 296 W HA -0.095 4.565 4.660 -0.000 0.000 0.273 296 W C 1.544 178.053 176.519 -0.016 0.000 1.247 296 W CA 2.094 59.469 57.345 0.050 0.000 1.288 296 W CB -0.011 29.536 29.460 0.145 0.000 1.107 296 W HN 0.305 nan 8.180 nan 0.000 0.586 297 T N -3.303 111.336 114.554 0.142 0.000 2.955 297 T HA 0.158 4.507 4.350 -0.000 0.000 0.251 297 T C -0.191 174.510 174.700 0.001 0.000 1.002 297 T CA 0.069 62.213 62.100 0.074 0.000 0.970 297 T CB 0.763 69.728 68.868 0.162 0.000 1.091 297 T HN -0.189 nan 8.240 nan 0.000 0.495 298 E N -0.094 120.106 120.200 -0.000 0.000 2.292 298 E HA 0.626 4.976 4.350 -0.000 0.000 0.272 298 E C -0.004 176.575 176.600 -0.035 0.000 0.881 298 E CA 0.535 56.929 56.400 -0.010 0.000 0.754 298 E CB 1.773 31.488 29.700 0.025 0.000 1.201 298 E HN 0.671 nan 8.360 nan 0.000 0.425 299 G N 3.272 112.045 108.800 -0.044 0.000 2.483 299 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.521 299 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.521 299 G C -2.096 172.758 174.900 -0.076 0.000 1.278 299 G CA -0.444 44.631 45.100 -0.043 0.000 0.965 299 G HN 0.472 nan 8.290 nan 0.000 0.504 300 P HA 0.015 nan 4.420 nan 0.000 0.215 300 P C 2.262 179.494 177.300 -0.112 0.000 1.157 300 P CA 3.064 66.125 63.100 -0.066 0.000 0.868 300 P CB -0.086 31.596 31.700 -0.030 0.000 0.788 301 A N -0.136 122.590 122.820 -0.157 0.000 1.902 301 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 301 A C 2.318 179.692 177.584 -0.351 0.000 1.181 301 A CA 2.063 53.942 52.037 -0.264 0.000 0.623 301 A CB -1.556 17.183 19.000 -0.434 0.000 0.818 301 A HN 0.200 nan 8.150 nan 0.000 0.443 302 A N -0.338 122.268 122.820 -0.356 0.000 1.929 302 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 302 A C 1.899 179.330 177.584 -0.256 0.000 1.176 302 A CA 1.488 53.316 52.037 -0.348 0.000 0.628 302 A CB -0.430 18.405 19.000 -0.275 0.000 0.816 302 A HN 0.608 nan 8.150 nan 0.000 0.444 303 E N -0.655 119.435 120.200 -0.184 0.000 2.077 303 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 303 E C 1.918 178.429 176.600 -0.149 0.000 0.989 303 E CA 1.198 57.513 56.400 -0.143 0.000 0.800 303 E CB -0.234 29.405 29.700 -0.101 0.000 0.746 303 E HN 0.507 nan 8.360 nan 0.000 0.452 304 L N 0.778 121.911 121.223 -0.149 0.000 2.083 304 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 304 L C 2.150 178.921 176.870 -0.165 0.000 1.083 304 L CA 1.803 56.562 54.840 -0.134 0.000 0.752 304 L CB -0.354 41.638 42.059 -0.112 0.000 0.899 304 L HN 0.042 nan 8.230 nan 0.000 0.433 305 A N -1.183 121.505 122.820 -0.220 0.000 2.015 305 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 305 A C 2.307 179.739 177.584 -0.253 0.000 1.163 305 A CA 1.630 53.512 52.037 -0.259 0.000 0.646 305 A CB -0.553 18.223 19.000 -0.373 0.000 0.806 305 A HN 0.620 nan 8.150 nan 0.000 0.448 306 E N -0.536 119.526 120.200 -0.230 0.000 2.112 306 E HA -0.168 4.182 4.350 -0.000 0.000 0.190 306 E C 2.111 178.586 176.600 -0.209 0.000 0.979 306 E CA 0.896 57.169 56.400 -0.211 0.000 0.814 306 E CB -0.060 29.536 29.700 -0.174 0.000 0.762 306 E HN 0.757 nan 8.360 nan 0.000 0.460 307 Q N -0.002 119.690 119.800 -0.180 0.000 2.079 307 Q HA -0.068 4.272 4.340 -0.000 0.000 0.200 307 Q C 2.186 178.051 176.000 -0.225 0.000 0.974 307 Q CA 1.115 56.819 55.803 -0.166 0.000 0.840 307 Q CB 0.029 28.701 28.738 -0.109 0.000 0.898 307 Q HN 0.108 nan 8.270 nan 0.000 0.430 308 R N -0.002 120.375 120.500 -0.205 0.000 2.148 308 R HA -0.022 4.318 4.340 -0.000 0.000 0.227 308 R C 1.231 177.294 176.300 -0.396 0.000 1.103 308 R CA 0.792 56.781 56.100 -0.186 0.000 0.983 308 R CB 0.104 30.340 30.300 -0.107 0.000 0.874 308 R HN 0.219 nan 8.270 nan 0.000 0.451 309 L N -0.914 120.058 121.223 -0.418 0.000 2.857 309 L HA 0.241 4.581 4.340 -0.000 0.000 0.249 309 L C 1.771 178.359 176.870 -0.470 0.000 1.172 309 L CA -0.320 54.268 54.840 -0.419 0.000 0.980 309 L CB 0.907 42.807 42.059 -0.265 0.000 1.299 309 L HN 0.183 nan 8.230 nan 0.000 0.535 310 G N -0.559 107.902 108.800 -0.565 0.000 2.470 310 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 310 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 310 G C 1.288 176.018 174.900 -0.283 0.000 1.121 310 G CA 0.381 45.262 45.100 -0.366 0.000 0.766 310 G HN 0.442 nan 8.290 nan 0.000 0.553 311 H N 1.116 120.132 119.070 -0.091 0.000 2.421 311 H HA -0.109 4.447 4.556 -0.000 0.000 0.298 311 H C 2.733 178.005 175.328 -0.094 0.000 1.087 311 H CA 1.672 57.672 56.048 -0.081 0.000 1.330 311 H CB -1.131 28.587 29.762 -0.073 0.000 1.388 311 H HN 0.527 nan 8.280 nan 0.000 0.526 312 T N -2.716 111.793 114.554 -0.074 0.000 3.023 312 T HA 0.173 4.523 4.350 -0.000 0.000 0.266 312 T C 1.867 176.483 174.700 -0.140 0.000 1.093 312 T CA 0.910 62.935 62.100 -0.124 0.000 1.129 312 T CB -0.337 68.403 68.868 -0.213 0.000 0.899 312 T HN 0.575 nan 8.240 nan 0.000 0.491 313 G N 1.323 110.034 108.800 -0.148 0.000 2.160 313 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.251 313 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.251 313 G C -0.081 174.690 174.900 -0.214 0.000 1.008 313 G CA 0.354 45.364 45.100 -0.150 0.000 0.724 313 G HN 0.597 nan 8.290 nan 0.000 0.514 314 M N 1.050 120.506 119.600 -0.240 0.000 2.277 314 M HA 0.425 4.905 4.480 -0.000 0.000 0.350 314 M C -1.886 174.285 176.300 -0.215 0.000 1.180 314 M CA -1.927 53.203 55.300 -0.284 0.000 1.103 314 M CB 1.479 33.934 32.600 -0.241 0.000 1.577 314 M HN -0.053 nan 8.290 nan 0.000 0.459 315 P HA 0.086 nan 4.420 nan 0.000 0.225 315 P C 0.769 178.054 177.300 -0.025 0.000 1.830 315 P CA -0.310 62.737 63.100 -0.089 0.000 1.051 315 P CB -0.474 31.200 31.700 -0.044 0.000 1.929 316 V N 0.792 120.653 119.914 -0.089 0.000 2.568 316 V HA -0.242 3.878 4.120 -0.000 0.000 0.253 316 V C 1.938 177.997 176.094 -0.058 0.000 1.072 316 V CA 1.272 63.518 62.300 -0.091 0.000 1.084 316 V CB -1.253 30.445 31.823 -0.207 0.000 0.676 316 V HN 0.225 nan 8.190 nan 0.000 0.469 317 R N 0.389 120.844 120.500 -0.076 0.000 2.276 317 R HA 0.122 4.462 4.340 -0.000 0.000 0.203 317 R C 2.232 178.607 176.300 0.125 0.000 1.017 317 R CA 0.824 56.902 56.100 -0.036 0.000 1.010 317 R CB -0.171 30.088 30.300 -0.069 0.000 0.900 317 R HN 0.594 nan 8.270 nan 0.000 0.469 318 R N 0.555 121.144 120.500 0.149 0.000 2.265 318 R HA 0.175 4.514 4.340 -0.000 0.000 0.194 318 R C 0.832 177.304 176.300 0.287 0.000 0.931 318 R CA 0.163 56.386 56.100 0.205 0.000 1.032 318 R CB 0.197 30.608 30.300 0.185 0.000 0.980 318 R HN 0.162 nan 8.270 nan 0.000 0.497 319 M N 1.375 121.162 119.600 0.311 0.000 2.108 319 M HA 0.446 4.926 4.480 -0.000 0.000 0.354 319 M C -0.162 176.345 176.300 0.345 0.000 1.229 319 M CA -0.647 54.857 55.300 0.340 0.000 1.081 319 M CB 1.446 34.154 32.600 0.180 0.000 1.606 319 M HN -0.229 nan 8.290 nan 0.000 0.467 320 V N 0.094 120.173 119.914 0.275 0.000 3.141 320 V HA 0.948 5.068 4.120 -0.000 0.000 0.312 320 V C 0.593 176.729 176.094 0.070 0.000 1.157 320 V CA -0.073 62.292 62.300 0.109 0.000 1.041 320 V CB 1.087 32.998 31.823 0.147 0.000 1.071 320 V HN 1.153 nan 8.190 nan 0.000 0.441 321 G N 0.328 109.039 108.800 -0.148 0.000 2.258 321 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.274 321 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.274 321 G C 0.253 174.988 174.900 -0.275 0.000 1.021 321 G CA 0.972 45.968 45.100 -0.173 0.000 0.798 321 G HN 1.307 nan 8.290 nan 0.000 0.507 322 Q N 0.286 119.901 119.800 -0.307 0.000 2.311 322 Q HA 0.413 4.753 4.340 -0.000 0.000 0.272 322 Q C 0.629 176.560 176.000 -0.116 0.000 1.012 322 Q CA -0.097 55.623 55.803 -0.139 0.000 0.891 322 Q CB 0.260 28.987 28.738 -0.019 0.000 1.201 322 Q HN 0.845 nan 8.270 nan 0.000 0.391 323 H N 2.539 121.583 119.070 -0.042 0.000 2.621 323 H HA 0.766 5.321 4.556 -0.000 0.000 0.360 323 H C -0.956 174.392 175.328 0.033 0.000 1.163 323 H CA -1.078 54.969 56.048 -0.001 0.000 1.194 323 H CB 1.559 31.287 29.762 -0.057 0.000 1.649 323 H HN 0.626 nan 8.280 nan 0.000 0.532 324 M N 1.291 120.933 119.600 0.071 0.000 2.534 324 M HA 0.459 4.939 4.480 -0.000 0.000 0.280 324 M C -1.816 174.364 176.300 -0.200 0.000 1.217 324 M CA -0.256 54.960 55.300 -0.141 0.000 0.893 324 M CB 2.640 35.027 32.600 -0.355 0.000 1.730 324 M HN 0.886 nan 8.290 nan 0.000 0.483 325 T N 3.774 118.288 114.554 -0.066 0.000 2.928 325 T HA 0.539 4.889 4.350 -0.000 0.000 0.296 325 T C -0.956 173.824 174.700 0.134 0.000 1.000 325 T CA -0.550 61.572 62.100 0.037 0.000 0.989 325 T CB 1.323 70.323 68.868 0.222 0.000 1.005 325 T HN 0.421 nan 8.240 nan 0.000 0.442 326 I N 3.633 124.312 120.570 0.182 0.000 2.301 326 I HA 0.283 4.453 4.170 -0.000 0.000 0.292 326 I C 0.298 176.715 176.117 0.501 0.000 1.046 326 I CA -0.903 60.578 61.300 0.302 0.000 1.282 326 I CB -0.030 38.113 38.000 0.237 0.000 1.409 326 I HN 0.655 nan 8.210 nan 0.000 0.484 327 F N 10.365 130.629 119.950 0.523 0.000 2.607 327 F HA 0.098 4.625 4.527 -0.000 0.000 0.374 327 F C -1.272 174.766 175.800 0.396 0.000 1.104 327 F CA -0.545 57.650 58.000 0.326 0.000 1.296 327 F CB 0.643 39.690 39.000 0.078 0.000 1.085 327 F HN 0.389 nan 8.300 nan 0.000 0.584 328 P HA -0.010 nan 4.420 nan 0.000 0.216 328 P C 0.575 177.807 177.300 -0.114 0.000 1.151 328 P CA 1.485 64.016 63.100 -0.947 0.000 0.863 328 P CB 0.068 30.932 31.700 -1.393 0.000 0.790 329 T N -4.548 110.038 114.554 0.053 0.000 3.182 329 T HA 0.213 4.563 4.350 -0.000 0.000 0.277 329 T C 0.280 175.107 174.700 0.212 0.000 1.013 329 T CA -0.415 61.876 62.100 0.318 0.000 0.900 329 T CB -1.477 67.545 68.868 0.256 0.000 1.098 329 T HN 0.014 nan 8.240 nan 0.000 0.543 330 C N 2.867 122.306 119.300 0.230 0.000 2.200 330 C HA 0.744 5.204 4.460 -0.000 0.000 0.328 330 C C 0.036 175.120 174.990 0.157 0.000 1.148 330 C CA -0.244 58.896 59.018 0.203 0.000 1.624 330 C CB -1.585 26.422 27.740 0.446 0.000 2.167 330 C HN 0.571 nan 8.230 nan 0.000 0.484 331 S N 4.835 120.515 115.700 -0.034 0.000 2.532 331 S HA 0.952 5.422 4.470 -0.000 0.000 0.301 331 S C -0.776 173.781 174.600 -0.072 0.000 1.083 331 S CA -0.373 57.765 58.200 -0.104 0.000 1.025 331 S CB 1.256 64.402 63.200 -0.090 0.000 1.056 331 S HN 0.801 nan 8.310 nan 0.000 0.494 332 F N -0.615 119.410 119.950 0.124 0.000 2.779 332 F HA 0.691 5.218 4.527 -0.000 0.000 0.316 332 F C -1.929 174.014 175.800 0.238 0.000 1.164 332 F CA -1.447 56.609 58.000 0.094 0.000 0.924 332 F CB 0.938 39.943 39.000 0.008 0.000 1.348 332 F HN 0.278 nan 8.300 nan 0.000 0.467 333 L N 1.452 122.909 121.223 0.389 0.000 2.433 333 L HA 0.391 4.731 4.340 -0.000 0.000 0.256 333 L C -2.209 174.704 176.870 0.071 0.000 1.063 333 L CA -1.573 53.371 54.840 0.174 0.000 0.922 333 L CB 1.437 43.555 42.059 0.100 0.000 1.238 333 L HN 0.354 nan 8.230 nan 0.000 0.466 334 P HA -0.175 nan 4.420 nan 0.000 0.216 334 P C 1.354 178.581 177.300 -0.121 0.000 1.154 334 P CA 1.537 64.713 63.100 0.126 0.000 0.865 334 P CB 0.187 32.026 31.700 0.233 0.000 0.789 335 T N -2.207 112.045 114.554 -0.503 0.000 2.995 335 T HA -0.007 4.343 4.350 -0.000 0.000 0.269 335 T C 1.196 175.552 174.700 -0.574 0.000 1.091 335 T CA 0.974 62.423 62.100 -1.085 0.000 1.128 335 T CB -0.743 67.460 68.868 -1.108 0.000 0.891 335 T HN 0.192 nan 8.240 nan 0.000 0.492 336 F N 0.742 120.621 119.950 -0.119 0.000 2.695 336 F HA 0.307 4.834 4.527 -0.000 0.000 0.303 336 F C 0.847 176.754 175.800 0.179 0.000 1.091 336 F CA -0.810 57.237 58.000 0.078 0.000 1.300 336 F CB -0.161 38.876 39.000 0.062 0.000 1.071 336 F HN -0.027 nan 8.300 nan 0.000 0.578 337 N N 1.102 119.905 118.700 0.171 0.000 2.713 337 N HA -0.265 4.475 4.740 -0.000 0.000 0.251 337 N C -0.383 175.145 175.510 0.030 0.000 1.117 337 N CA 0.508 53.567 53.050 0.016 0.000 0.770 337 N CB -1.654 36.673 38.487 -0.267 0.000 1.137 337 N HN 0.367 nan 8.380 nan 0.000 0.566 338 N N 0.891 119.645 118.700 0.090 0.000 2.455 338 N HA 0.288 5.028 4.740 -0.000 0.000 0.280 338 N C -0.619 174.865 175.510 -0.043 0.000 1.055 338 N CA 0.020 53.088 53.050 0.029 0.000 0.961 338 N CB 0.622 39.108 38.487 -0.002 0.000 1.121 338 N HN 0.070 nan 8.380 nan 0.000 0.476 339 I N 3.070 123.489 120.570 -0.253 0.000 2.608 339 I HA 0.500 4.670 4.170 -0.000 0.000 0.295 339 I C 0.005 175.862 176.117 -0.434 0.000 1.049 339 I CA -0.792 60.280 61.300 -0.379 0.000 1.063 339 I CB 1.754 39.229 38.000 -0.875 0.000 1.248 339 I HN 0.586 nan 8.210 nan 0.000 0.424 340 R N 5.024 125.275 120.500 -0.415 0.000 2.707 340 R HA 0.733 5.073 4.340 -0.000 0.000 0.272 340 R C -1.981 173.895 176.300 -0.707 0.000 1.011 340 R CA -0.731 55.029 56.100 -0.565 0.000 0.893 340 R CB 2.035 31.863 30.300 -0.788 0.000 1.233 340 R HN 0.549 nan 8.270 nan 0.000 0.464 341 I N 1.266 121.468 120.570 -0.614 0.000 2.406 341 I HA 0.411 4.581 4.170 -0.000 0.000 0.290 341 I C -0.813 174.823 176.117 -0.801 0.000 0.999 341 I CA -0.823 60.097 61.300 -0.633 0.000 1.124 341 I CB 1.390 39.135 38.000 -0.425 0.000 1.289 341 I HN 0.462 nan 8.210 nan 0.000 0.441 342 W N 4.733 125.832 121.300 -0.335 0.000 2.335 342 W HA 0.412 5.072 4.660 0.000 0.000 0.307 342 W C -0.034 176.239 176.519 -0.410 0.000 1.117 342 W CA -0.546 56.623 57.345 -0.293 0.000 1.228 342 W CB 0.295 29.703 29.460 -0.086 0.000 1.240 342 W HN 0.333 nan 8.180 nan 0.000 0.468 343 H N 4.209 123.235 119.070 -0.073 0.000 2.556 343 H HA 0.244 4.800 4.556 -0.000 0.000 0.310 343 H C -2.103 173.116 175.328 -0.182 0.000 1.057 343 H CA -2.469 53.420 56.048 -0.266 0.000 1.264 343 H CB 0.961 30.407 29.762 -0.528 0.000 1.404 343 H HN 0.094 nan 8.280 nan 0.000 0.462 344 P HA 0.121 nan 4.420 nan 0.000 0.271 344 P C 0.059 177.350 177.300 -0.015 0.000 1.216 344 P CA -0.433 62.636 63.100 -0.052 0.000 0.771 344 P CB 1.172 32.679 31.700 -0.321 0.000 0.864 345 R N 2.356 122.857 120.500 0.002 0.000 2.674 345 R HA 0.488 4.828 4.340 -0.000 0.000 0.270 345 R C 0.585 176.763 176.300 -0.204 0.000 1.492 345 R CA -0.247 55.815 56.100 -0.064 0.000 1.624 345 R CB 0.382 30.655 30.300 -0.045 0.000 1.307 345 R HN 0.923 nan 8.270 nan 0.000 0.683 346 G N 2.076 110.520 108.800 -0.593 0.000 2.712 346 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.683 346 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.683 346 G C -1.988 172.362 174.900 -0.917 0.000 1.320 346 G CA -0.736 43.725 45.100 -1.065 0.000 0.847 346 G HN 0.097 nan 8.290 nan 0.000 0.553 347 P HA -0.021 nan 4.420 nan 0.000 0.223 347 P C 0.841 178.128 177.300 -0.023 0.000 1.151 347 P CA 1.179 64.203 63.100 -0.126 0.000 0.787 347 P CB 0.073 31.769 31.700 -0.007 0.000 0.788 348 N N -0.228 118.440 118.700 -0.053 0.000 2.238 348 N HA 0.099 4.839 4.740 -0.000 0.000 0.222 348 N C 0.111 175.640 175.510 0.031 0.000 1.133 348 N CA 0.202 53.262 53.050 0.017 0.000 0.854 348 N CB 1.223 39.720 38.487 0.017 0.000 1.041 348 N HN 0.370 nan 8.380 nan 0.000 0.510 349 E N 0.826 121.038 120.200 0.020 0.000 2.375 349 E HA 0.415 4.765 4.350 -0.000 0.000 0.280 349 E C -1.494 175.151 176.600 0.076 0.000 0.972 349 E CA -0.618 55.813 56.400 0.052 0.000 0.782 349 E CB 1.965 31.681 29.700 0.027 0.000 1.229 349 E HN 0.081 nan 8.360 nan 0.000 0.439 350 I N -1.206 119.429 120.570 0.108 0.000 3.074 350 I HA 0.588 4.758 4.170 -0.000 0.000 0.310 350 I C -0.840 175.346 176.117 0.114 0.000 1.153 350 I CA -0.981 60.392 61.300 0.121 0.000 0.993 350 I CB 2.264 40.368 38.000 0.173 0.000 1.237 350 I HN 0.340 nan 8.210 nan 0.000 0.443 351 E N 2.160 122.422 120.200 0.104 0.000 2.166 351 E HA 0.528 4.878 4.350 -0.000 0.000 0.275 351 E C -1.278 175.379 176.600 0.095 0.000 0.941 351 E CA -0.953 55.528 56.400 0.135 0.000 0.784 351 E CB 2.802 32.651 29.700 0.248 0.000 1.115 351 E HN 0.402 nan 8.360 nan 0.000 0.399 352 V N 3.303 123.151 119.914 -0.111 0.000 2.383 352 V HA 0.197 4.317 4.120 -0.000 0.000 0.275 352 V C -0.919 175.093 176.094 -0.138 0.000 1.036 352 V CA -0.651 61.441 62.300 -0.346 0.000 0.889 352 V CB 0.209 31.429 31.823 -1.004 0.000 0.985 352 V HN 0.612 nan 8.190 nan 0.000 0.459 353 W N 3.707 124.765 121.300 -0.402 0.000 2.296 353 W HA 0.768 5.427 4.660 -0.000 0.000 0.316 353 W C 0.099 176.529 176.519 -0.148 0.000 1.022 353 W CA -0.907 56.330 57.345 -0.180 0.000 1.324 353 W CB 1.513 30.942 29.460 -0.051 0.000 1.227 353 W HN 0.643 nan 8.180 nan 0.000 0.409 354 A N 4.964 127.871 122.820 0.145 0.000 2.365 354 A HA 0.961 5.281 4.320 -0.000 0.000 0.318 354 A C -1.308 176.466 177.584 0.317 0.000 1.091 354 A CA -0.509 51.617 52.037 0.150 0.000 0.763 354 A CB 1.079 20.209 19.000 0.217 0.000 1.248 354 A HN 0.581 nan 8.150 nan 0.000 0.442 355 F N -0.736 119.285 119.950 0.118 0.000 2.715 355 F HA 0.867 5.394 4.527 0.000 0.000 0.318 355 F C -0.498 175.371 175.800 0.115 0.000 1.141 355 F CA -0.766 57.316 58.000 0.135 0.000 0.950 355 F CB 1.363 40.471 39.000 0.179 0.000 1.374 355 F HN 0.374 nan 8.300 nan 0.000 0.477 356 T N 2.527 117.232 114.554 0.251 0.000 2.863 356 T HA 0.652 5.002 4.350 -0.000 0.000 0.285 356 T C -0.560 174.197 174.700 0.095 0.000 1.009 356 T CA -0.586 61.572 62.100 0.097 0.000 0.989 356 T CB 1.673 70.628 68.868 0.146 0.000 1.004 356 T HN 0.588 nan 8.240 nan 0.000 0.455 357 L N 2.409 123.603 121.223 -0.048 0.000 2.358 357 L HA 0.912 5.252 4.340 -0.000 0.000 0.268 357 L C -0.350 176.397 176.870 -0.205 0.000 1.032 357 L CA -1.166 53.602 54.840 -0.120 0.000 0.805 357 L CB 1.586 43.562 42.059 -0.138 0.000 1.253 357 L HN 0.480 nan 8.230 nan 0.000 0.452 358 V N -3.058 116.735 119.914 -0.202 0.000 3.120 358 V HA 0.388 4.508 4.120 -0.000 0.000 0.303 358 V C -1.081 174.943 176.094 -0.118 0.000 1.238 358 V CA -1.166 60.996 62.300 -0.230 0.000 1.008 358 V CB 1.892 33.627 31.823 -0.147 0.000 1.064 358 V HN 0.557 nan 8.190 nan 0.000 0.434 359 D N 1.806 122.176 120.400 -0.050 0.000 2.487 359 D HA 0.262 4.902 4.640 -0.000 0.000 0.243 359 D C 1.315 177.622 176.300 0.012 0.000 1.154 359 D CA 0.909 54.927 54.000 0.030 0.000 0.876 359 D CB 1.984 42.877 40.800 0.155 0.000 1.161 359 D HN 0.962 nan 8.370 nan 0.000 0.478 360 A N 3.432 126.256 122.820 0.007 0.000 1.978 360 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 360 A C 1.239 178.832 177.584 0.016 0.000 1.170 360 A CA 1.686 53.724 52.037 0.002 0.000 0.636 360 A CB -0.128 18.876 19.000 0.006 0.000 0.810 360 A HN 0.625 nan 8.150 nan 0.000 0.448 361 D N -1.171 119.251 120.400 0.037 0.000 2.424 361 D HA 0.482 5.122 4.640 -0.000 0.000 0.220 361 D C 0.346 176.692 176.300 0.076 0.000 1.150 361 D CA 0.260 54.288 54.000 0.047 0.000 0.831 361 D CB -0.244 40.582 40.800 0.043 0.000 0.981 361 D HN 0.360 nan 8.370 nan 0.000 0.500 362 A N 1.183 124.047 122.820 0.073 0.000 2.440 362 A HA 0.478 4.797 4.320 -0.000 0.000 0.251 362 A C -2.151 175.440 177.584 0.012 0.000 1.089 362 A CA -1.101 50.970 52.037 0.056 0.000 0.779 362 A CB 0.021 18.984 19.000 -0.061 0.000 1.022 362 A HN 0.071 nan 8.150 nan 0.000 0.492 363 P HA 0.109 nan 4.420 nan 0.000 0.267 363 P C 0.926 178.222 177.300 -0.005 0.000 1.201 363 P CA 0.693 63.802 63.100 0.016 0.000 0.775 363 P CB 0.590 32.310 31.700 0.032 0.000 0.854 364 A N 2.256 125.081 122.820 0.007 0.000 1.940 364 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 364 A C 1.960 179.549 177.584 0.007 0.000 1.176 364 A CA 1.597 53.639 52.037 0.008 0.000 0.631 364 A CB -1.071 17.936 19.000 0.012 0.000 0.814 364 A HN 0.634 nan 8.150 nan 0.000 0.446 365 E N -0.488 119.714 120.200 0.004 0.000 2.085 365 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 365 E C 1.887 178.478 176.600 -0.014 0.000 0.994 365 E CA 1.231 57.633 56.400 0.003 0.000 0.801 365 E CB -0.206 29.499 29.700 0.009 0.000 0.743 365 E HN 0.575 nan 8.360 nan 0.000 0.453 366 I N 1.164 121.704 120.570 -0.049 0.000 2.286 366 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 366 I C 2.189 178.312 176.117 0.010 0.000 1.104 366 I CA 1.172 62.401 61.300 -0.118 0.000 1.397 366 I CB -0.900 36.887 38.000 -0.355 0.000 1.072 366 I HN 0.036 nan 8.210 nan 0.000 0.417 367 K N 0.543 120.960 120.400 0.027 0.000 2.044 367 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 367 K C 2.052 178.718 176.600 0.109 0.000 1.049 367 K CA 1.345 57.683 56.287 0.085 0.000 0.927 367 K CB -0.063 32.457 32.500 0.033 0.000 0.713 367 K HN 0.207 nan 8.250 nan 0.000 0.443 368 E N 0.671 120.909 120.200 0.063 0.000 2.110 368 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 368 E C 1.896 178.544 176.600 0.080 0.000 0.988 368 E CA 1.153 57.589 56.400 0.060 0.000 0.804 368 E CB 0.087 29.807 29.700 0.034 0.000 0.745 368 E HN 0.224 nan 8.360 nan 0.000 0.458 369 E N -0.523 119.715 120.200 0.064 0.000 2.152 369 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 369 E C 1.761 178.420 176.600 0.099 0.000 0.983 369 E CA 0.748 57.194 56.400 0.076 0.000 0.818 369 E CB -0.213 29.457 29.700 -0.049 0.000 0.758 369 E HN 0.347 nan 8.360 nan 0.000 0.467 370 Y N -0.047 120.305 120.300 0.087 0.000 2.200 370 Y HA -0.122 4.428 4.550 -0.000 0.000 0.290 370 Y C 2.565 178.536 175.900 0.119 0.000 1.137 370 Y CA 1.583 59.745 58.100 0.103 0.000 1.163 370 Y CB -0.032 38.469 38.460 0.069 0.000 0.988 370 Y HN -0.036 nan 8.280 nan 0.000 0.518 371 R N 0.627 121.274 120.500 0.245 0.000 2.082 371 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 371 R C 2.344 178.711 176.300 0.111 0.000 1.136 371 R CA 1.649 57.844 56.100 0.159 0.000 0.935 371 R CB -0.227 30.138 30.300 0.107 0.000 0.842 371 R HN 0.254 nan 8.270 nan 0.000 0.430 372 R N -0.747 119.794 120.500 0.068 0.000 2.094 372 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 372 R C 2.251 178.487 176.300 -0.107 0.000 1.137 372 R CA 2.248 58.323 56.100 -0.041 0.000 0.943 372 R CB -0.628 29.612 30.300 -0.099 0.000 0.850 372 R HN 0.500 nan 8.270 nan 0.000 0.433 373 H N -0.320 118.736 119.070 -0.022 0.000 2.462 373 H HA 0.053 4.609 4.556 -0.000 0.000 0.292 373 H C 1.867 177.144 175.328 -0.085 0.000 1.049 373 H CA 0.877 56.878 56.048 -0.080 0.000 1.334 373 H CB -0.019 29.680 29.762 -0.106 0.000 1.404 373 H HN 0.240 nan 8.280 nan 0.000 0.544 374 N N 0.230 119.030 118.700 0.166 0.000 2.188 374 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 374 N C 1.679 177.262 175.510 0.122 0.000 1.018 374 N CA 1.053 54.246 53.050 0.239 0.000 0.858 374 N CB 0.097 38.772 38.487 0.314 0.000 0.989 374 N HN 0.316 nan 8.380 nan 0.000 0.426 375 I N 1.061 121.664 120.570 0.055 0.000 2.179 375 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 375 I C 2.693 178.768 176.117 -0.070 0.000 1.088 375 I CA 0.942 62.245 61.300 0.005 0.000 1.357 375 I CB -0.180 37.815 38.000 -0.009 0.000 1.051 375 I HN 0.073 nan 8.210 nan 0.000 0.409 376 R N 0.830 121.255 120.500 -0.124 0.000 2.092 376 R HA -0.143 4.197 4.340 -0.000 0.000 0.231 376 R C 1.852 178.031 176.300 -0.202 0.000 1.119 376 R CA 1.626 57.628 56.100 -0.163 0.000 0.970 376 R CB -0.001 30.178 30.300 -0.202 0.000 0.864 376 R HN 0.403 nan 8.270 nan 0.000 0.440 377 N N -0.978 117.502 118.700 -0.367 0.000 2.499 377 N HA -0.004 4.736 4.740 -0.000 0.000 0.182 377 N C 0.408 175.545 175.510 -0.621 0.000 1.034 377 N CA 0.868 53.508 53.050 -0.684 0.000 0.882 377 N CB 0.308 37.853 38.487 -1.569 0.000 1.125 377 N HN 0.153 nan 8.380 nan 0.000 0.436 378 F N 0.696 120.689 119.950 0.072 0.000 2.724 378 F HA 0.318 4.845 4.527 -0.000 0.000 0.310 378 F C 1.133 177.012 175.800 0.132 0.000 1.107 378 F CA -0.949 57.141 58.000 0.150 0.000 1.218 378 F CB -0.339 38.778 39.000 0.196 0.000 1.042 378 F HN -0.199 nan 8.300 nan 0.000 0.540 379 S N 0.367 116.116 115.700 0.082 0.000 2.655 379 S HA 0.581 5.051 4.470 -0.000 0.000 0.265 379 S C 1.709 175.995 174.600 -0.524 0.000 1.240 379 S CA -0.104 58.017 58.200 -0.131 0.000 0.986 379 S CB 1.296 64.437 63.200 -0.098 0.000 0.985 379 S HN 0.164 nan 8.310 nan 0.000 0.562 380 A N 0.602 122.804 122.820 -1.029 0.000 2.032 380 A HA 0.117 4.437 4.320 -0.000 0.000 0.221 380 A C 1.801 179.065 177.584 -0.534 0.000 1.165 380 A CA 1.564 52.856 52.037 -1.242 0.000 0.645 380 A CB -1.480 16.897 19.000 -1.037 0.000 0.807 380 A HN 1.272 nan 8.150 nan 0.000 0.453 381 G N -0.641 107.961 108.800 -0.331 0.000 3.707 381 G HA2 0.446 4.406 3.960 -0.000 0.000 0.286 381 G HA3 0.446 4.406 3.960 -0.000 0.000 0.286 381 G C 0.532 175.345 174.900 -0.145 0.000 1.112 381 G CA 0.367 45.351 45.100 -0.193 0.000 0.861 381 G HN 0.681 nan 8.290 nan 0.000 0.534 382 G N -0.199 108.517 108.800 -0.140 0.000 2.467 382 G HA2 0.353 4.313 3.960 -0.000 0.000 0.257 382 G HA3 0.353 4.313 3.960 -0.000 0.000 0.257 382 G C 1.289 176.148 174.900 -0.067 0.000 1.227 382 G CA 0.234 45.276 45.100 -0.096 0.000 0.835 382 G HN 0.543 nan 8.290 nan 0.000 0.556 383 V N -0.252 119.615 119.914 -0.079 0.000 2.759 383 V HA -0.007 4.113 4.120 -0.000 0.000 0.256 383 V C 1.885 177.873 176.094 -0.177 0.000 1.080 383 V CA 1.312 63.540 62.300 -0.120 0.000 1.101 383 V CB -0.909 30.824 31.823 -0.150 0.000 0.698 383 V HN 0.522 nan 8.190 nan 0.000 0.477 384 F N 0.781 120.623 119.950 -0.180 0.000 2.343 384 F HA 0.242 4.769 4.527 -0.000 0.000 0.286 384 F C 2.450 178.315 175.800 0.108 0.000 1.057 384 F CA 1.276 59.180 58.000 -0.160 0.000 1.365 384 F CB -0.397 38.384 39.000 -0.364 0.000 1.114 384 F HN 0.156 nan 8.300 nan 0.000 0.545 385 E N 0.672 121.065 120.200 0.322 0.000 2.077 385 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 385 E C 2.019 178.715 176.600 0.161 0.000 0.989 385 E CA 1.568 58.165 56.400 0.330 0.000 0.800 385 E CB -0.286 29.606 29.700 0.321 0.000 0.746 385 E HN 0.387 nan 8.360 nan 0.000 0.452 386 Q N -0.162 119.671 119.800 0.054 0.000 2.096 386 Q HA -0.223 4.117 4.340 -0.000 0.000 0.208 386 Q C 1.613 177.600 176.000 -0.022 0.000 0.993 386 Q CA 1.869 57.665 55.803 -0.011 0.000 0.862 386 Q CB -0.129 28.581 28.738 -0.047 0.000 0.915 386 Q HN 0.394 nan 8.270 nan 0.000 0.416 387 D N -0.053 120.348 120.400 0.002 0.000 2.162 387 D HA -0.101 4.539 4.640 -0.000 0.000 0.203 387 D C 1.396 177.592 176.300 -0.173 0.000 0.967 387 D CA 0.698 54.660 54.000 -0.064 0.000 0.840 387 D CB -0.261 40.515 40.800 -0.039 0.000 0.972 387 D HN 0.175 nan 8.370 nan 0.000 0.482 388 D N 0.670 121.000 120.400 -0.116 0.000 2.103 388 D HA -0.143 4.496 4.640 -0.000 0.000 0.190 388 D C 2.153 177.814 176.300 -1.065 0.000 0.997 388 D CA 1.608 55.311 54.000 -0.496 0.000 0.833 388 D CB -0.532 40.132 40.800 -0.226 0.000 0.961 388 D HN 0.273 nan 8.370 nan 0.000 0.447 389 G N 0.564 109.007 108.800 -0.595 0.000 2.422 389 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 389 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 389 G C 1.570 176.349 174.900 -0.202 0.000 1.146 389 G CA 1.088 46.002 45.100 -0.309 0.000 0.769 389 G HN 0.252 nan 8.290 nan 0.000 0.547 390 E N 1.350 121.438 120.200 -0.187 0.000 2.070 390 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 390 E C 2.211 178.714 176.600 -0.160 0.000 1.004 390 E CA 1.955 58.277 56.400 -0.129 0.000 0.805 390 E CB -0.581 29.049 29.700 -0.118 0.000 0.744 390 E HN 0.657 nan 8.360 nan 0.000 0.451 391 N N -0.793 117.745 118.700 -0.270 0.000 2.025 391 N HA -0.175 4.565 4.740 -0.000 0.000 0.194 391 N C 1.529 176.944 175.510 -0.159 0.000 1.044 391 N CA 1.419 54.324 53.050 -0.242 0.000 0.851 391 N CB -0.379 37.927 38.487 -0.302 0.000 1.036 391 N HN 0.280 nan 8.380 nan 0.000 0.422 392 W N 1.120 122.291 121.300 -0.214 0.000 2.350 392 W HA -0.036 4.624 4.660 -0.000 0.000 0.289 392 W C 2.066 178.434 176.519 -0.252 0.000 1.215 392 W CA 0.202 57.348 57.345 -0.331 0.000 1.236 392 W CB -1.333 28.005 29.460 -0.204 0.000 1.130 392 W HN -0.062 nan 8.180 nan 0.000 0.541 393 V N 0.714 120.671 119.914 0.072 0.000 2.295 393 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 393 V C 2.398 178.479 176.094 -0.022 0.000 1.049 393 V CA 2.030 64.354 62.300 0.040 0.000 1.024 393 V CB -0.593 31.256 31.823 0.045 0.000 0.648 393 V HN -0.000 nan 8.190 nan 0.000 0.447 394 E N -0.239 119.926 120.200 -0.058 0.000 2.152 394 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 394 E C 2.121 178.655 176.600 -0.109 0.000 0.983 394 E CA 0.911 57.268 56.400 -0.072 0.000 0.818 394 E CB -0.172 29.482 29.700 -0.077 0.000 0.758 394 E HN 0.594 nan 8.360 nan 0.000 0.467 395 I N 0.695 121.152 120.570 -0.188 0.000 2.179 395 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 395 I C 2.554 178.542 176.117 -0.215 0.000 1.088 395 I CA 1.071 62.196 61.300 -0.292 0.000 1.357 395 I CB -0.200 37.415 38.000 -0.641 0.000 1.051 395 I HN 0.053 nan 8.210 nan 0.000 0.409 396 Q N 1.323 121.019 119.800 -0.175 0.000 2.167 396 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 396 Q C 2.018 178.018 176.000 0.001 0.000 0.970 396 Q CA 1.646 57.430 55.803 -0.032 0.000 0.855 396 Q CB -0.088 28.662 28.738 0.020 0.000 0.911 396 Q HN 0.261 nan 8.270 nan 0.000 0.438 397 K N -0.860 119.530 120.400 -0.016 0.000 2.057 397 K HA -0.016 4.304 4.320 -0.000 0.000 0.206 397 K C 1.850 178.449 176.600 -0.001 0.000 1.050 397 K CA 1.692 57.978 56.287 -0.001 0.000 0.935 397 K CB -0.904 31.592 32.500 -0.006 0.000 0.715 397 K HN 0.238 nan 8.250 nan 0.000 0.439 398 G N 0.954 109.742 108.800 -0.021 0.000 2.418 398 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 398 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 398 G C 1.337 176.240 174.900 0.006 0.000 1.158 398 G CA 0.929 46.019 45.100 -0.016 0.000 0.771 398 G HN 0.315 nan 8.290 nan 0.000 0.545 399 L N 0.064 121.297 121.223 0.016 0.000 2.633 399 L HA 0.066 4.406 4.340 -0.000 0.000 0.235 399 L C 2.857 179.765 176.870 0.063 0.000 1.163 399 L CA 0.090 54.960 54.840 0.050 0.000 0.859 399 L CB -0.167 41.945 42.059 0.089 0.000 0.973 399 L HN 0.197 nan 8.230 nan 0.000 0.451 400 R N 0.135 120.667 120.500 0.053 0.000 2.115 400 R HA 0.013 4.353 4.340 -0.000 0.000 0.226 400 R C 1.306 177.651 176.300 0.075 0.000 1.100 400 R CA 0.556 56.693 56.100 0.062 0.000 0.980 400 R CB -0.260 30.069 30.300 0.048 0.000 0.875 400 R HN 0.332 nan 8.270 nan 0.000 0.445 401 G N -0.593 108.247 108.800 0.066 0.000 2.544 401 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.242 401 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.242 401 G C -0.033 174.937 174.900 0.117 0.000 1.247 401 G CA -0.363 44.789 45.100 0.085 0.000 0.840 401 G HN 0.200 nan 8.290 nan 0.000 0.578 402 Y N 0.709 121.024 120.300 0.025 0.000 2.206 402 Y HA 0.053 4.603 4.550 -0.000 0.000 0.292 402 Y C 2.432 178.347 175.900 0.026 0.000 1.123 402 Y CA 1.589 59.705 58.100 0.027 0.000 1.142 402 Y CB 0.223 38.696 38.460 0.022 0.000 1.006 402 Y HN 0.336 nan 8.280 nan 0.000 0.518 403 K N 0.561 120.883 120.400 -0.130 0.000 2.365 403 K HA 0.103 4.423 4.320 -0.000 0.000 0.199 403 K C 1.880 178.395 176.600 -0.142 0.000 1.045 403 K CA 0.825 56.984 56.287 -0.212 0.000 0.962 403 K CB -0.415 32.059 32.500 -0.044 0.000 0.759 403 K HN 0.428 nan 8.250 nan 0.000 0.469 404 A N 0.749 123.523 122.820 -0.077 0.000 2.238 404 A HA -0.019 4.301 4.320 -0.000 0.000 0.208 404 A C 1.530 179.087 177.584 -0.045 0.000 1.177 404 A CA 0.832 52.842 52.037 -0.045 0.000 0.804 404 A CB 0.048 19.042 19.000 -0.011 0.000 0.823 404 A HN 0.151 nan 8.150 nan 0.000 0.482 405 K N -0.579 119.767 120.400 -0.090 0.000 2.440 405 K HA 0.041 4.361 4.320 -0.000 0.000 0.207 405 K C 1.591 178.121 176.600 -0.118 0.000 1.112 405 K CA 0.734 56.983 56.287 -0.063 0.000 1.036 405 K CB 0.523 33.017 32.500 -0.010 0.000 0.935 405 K HN 0.500 nan 8.250 nan 0.000 0.564 406 S N 0.451 116.019 115.700 -0.221 0.000 2.481 406 S HA -0.017 4.453 4.470 -0.000 0.000 0.231 406 S C 0.741 175.272 174.600 -0.115 0.000 0.996 406 S CA 0.349 58.410 58.200 -0.232 0.000 0.942 406 S CB 0.017 63.003 63.200 -0.356 0.000 0.768 406 S HN 0.161 nan 8.310 nan 0.000 0.520 407 Q N 1.737 121.487 119.800 -0.085 0.000 2.365 407 Q HA 0.491 4.831 4.340 -0.000 0.000 0.269 407 Q C -2.876 173.102 176.000 -0.037 0.000 1.061 407 Q CA -2.614 53.158 55.803 -0.052 0.000 0.816 407 Q CB 2.143 30.852 28.738 -0.047 0.000 1.325 407 Q HN 0.225 nan 8.270 nan 0.000 0.446 408 P HA 0.118 nan 4.420 nan 0.000 0.271 408 P C -0.777 176.505 177.300 -0.029 0.000 1.218 408 P CA -0.044 63.037 63.100 -0.033 0.000 0.780 408 P CB 0.838 32.518 31.700 -0.033 0.000 0.901 409 L N 1.999 123.202 121.223 -0.033 0.000 2.357 409 L HA 0.310 4.650 4.340 -0.000 0.000 0.273 409 L C 1.083 177.933 176.870 -0.033 0.000 1.080 409 L CA -0.724 54.101 54.840 -0.024 0.000 0.803 409 L CB 0.303 42.357 42.059 -0.008 0.000 1.174 409 L HN 0.397 nan 8.230 nan 0.000 0.443 410 N N 1.349 120.039 118.700 -0.016 0.000 2.442 410 N HA 0.349 5.089 4.740 -0.000 0.000 0.265 410 N C -0.333 175.171 175.510 -0.011 0.000 1.138 410 N CA 0.063 53.105 53.050 -0.013 0.000 0.956 410 N CB 0.845 39.332 38.487 0.001 0.000 1.067 410 N HN 0.711 nan 8.380 nan 0.000 0.474 411 A N 3.561 126.368 122.820 -0.022 0.000 2.992 411 A HA 0.188 4.508 4.320 -0.000 0.000 0.263 411 A C 0.229 177.805 177.584 -0.013 0.000 0.928 411 A CA -0.445 51.585 52.037 -0.012 0.000 1.061 411 A CB 0.180 19.163 19.000 -0.028 0.000 1.173 411 A HN 0.819 nan 8.150 nan 0.000 0.482 412 Q N -0.346 119.444 119.800 -0.017 0.000 2.282 412 Q HA 0.266 4.606 4.340 -0.000 0.000 0.206 412 Q C 0.530 176.514 176.000 -0.027 0.000 0.878 412 Q CA -0.081 55.710 55.803 -0.020 0.000 0.944 412 Q CB 0.424 29.151 28.738 -0.018 0.000 1.100 412 Q HN 0.772 nan 8.270 nan 0.000 0.509 413 M N 0.765 120.341 119.600 -0.039 0.000 2.427 413 M HA 0.083 4.563 4.480 -0.000 0.000 0.345 413 M C 0.355 176.632 176.300 -0.039 0.000 1.653 413 M CA 1.090 56.351 55.300 -0.065 0.000 1.138 413 M CB 0.025 32.547 32.600 -0.132 0.000 1.995 413 M HN 0.451 nan 8.290 nan 0.000 0.459 414 G N 4.158 112.946 108.800 -0.019 0.000 2.132 414 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.228 414 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.228 414 G C -0.384 174.512 174.900 -0.007 0.000 1.000 414 G CA -0.328 44.773 45.100 0.001 0.000 0.693 414 G HN 0.654 nan 8.290 nan 0.000 0.515 415 L N 0.984 122.199 121.223 -0.013 0.000 2.562 415 L HA 0.480 4.820 4.340 -0.000 0.000 0.271 415 L C 1.646 178.509 176.870 -0.011 0.000 1.167 415 L CA 2.025 56.855 54.840 -0.016 0.000 0.917 415 L CB 0.254 42.303 42.059 -0.017 0.000 1.187 415 L HN 1.527 nan 8.230 nan 0.000 0.482 416 G N 3.778 112.570 108.800 -0.013 0.000 2.160 416 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.251 416 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.251 416 G C 1.168 176.070 174.900 0.003 0.000 1.008 416 G CA 0.453 45.549 45.100 -0.007 0.000 0.724 416 G HN 0.615 nan 8.290 nan 0.000 0.514 417 R N -0.252 120.252 120.500 0.006 0.000 2.282 417 R HA 0.186 4.526 4.340 -0.000 0.000 0.195 417 R C 0.880 177.200 176.300 0.032 0.000 0.909 417 R CA 0.435 56.546 56.100 0.018 0.000 1.039 417 R CB 0.244 30.557 30.300 0.022 0.000 1.015 417 R HN 0.379 nan 8.270 nan 0.000 0.513 418 S N 1.683 117.398 115.700 0.025 0.000 2.565 418 S HA 0.246 4.716 4.470 -0.000 0.000 0.274 418 S C 0.124 174.759 174.600 0.058 0.000 1.309 418 S CA -0.244 57.979 58.200 0.039 0.000 1.043 418 S CB 1.599 64.806 63.200 0.012 0.000 0.939 418 S HN 0.038 nan 8.310 nan 0.000 0.504 419 Q N 0.758 120.615 119.800 0.096 0.000 2.433 419 Q HA 0.376 4.716 4.340 -0.000 0.000 0.279 419 Q C 0.426 176.514 176.000 0.146 0.000 1.105 419 Q CA -0.465 55.403 55.803 0.109 0.000 0.815 419 Q CB 1.855 30.663 28.738 0.116 0.000 1.403 419 Q HN 0.800 nan 8.270 nan 0.000 0.435 420 T N -3.561 111.073 114.554 0.133 0.000 3.086 420 T HA 0.183 4.533 4.350 -0.000 0.000 0.250 420 T C 0.978 175.778 174.700 0.166 0.000 1.074 420 T CA 0.388 62.580 62.100 0.154 0.000 0.988 420 T CB 0.145 69.085 68.868 0.120 0.000 0.988 420 T HN 0.644 nan 8.240 nan 0.000 0.530 421 G N 0.575 109.469 108.800 0.157 0.000 4.098 421 G HA2 0.253 4.213 3.960 -0.000 0.000 0.300 421 G HA3 0.253 4.213 3.960 -0.000 0.000 0.300 421 G C -0.353 174.638 174.900 0.151 0.000 1.187 421 G CA -0.612 44.568 45.100 0.133 0.000 0.964 421 G HN 0.602 nan 8.290 nan 0.000 0.559 422 H N 1.811 120.967 119.070 0.144 0.000 2.886 422 H HA 0.207 4.763 4.556 -0.000 0.000 0.329 422 H C -0.645 174.747 175.328 0.106 0.000 1.044 422 H CA -0.836 55.311 56.048 0.165 0.000 1.456 422 H CB 1.772 31.706 29.762 0.286 0.000 1.464 422 H HN 0.045 nan 8.280 nan 0.000 0.573 423 P HA -0.111 nan 4.420 nan 0.000 0.222 423 P C 0.092 177.364 177.300 -0.047 0.000 1.147 423 P CA 1.124 64.164 63.100 -0.100 0.000 0.790 423 P CB 0.645 32.244 31.700 -0.168 0.000 0.780 424 D N -1.600 118.844 120.400 0.073 0.000 2.470 424 D HA 0.128 4.768 4.640 -0.000 0.000 0.238 424 D C 0.146 176.139 176.300 -0.512 0.000 1.054 424 D CA 0.483 54.305 54.000 -0.297 0.000 0.896 424 D CB 0.278 40.721 40.800 -0.594 0.000 1.118 424 D HN 0.208 nan 8.370 nan 0.000 0.497 425 F N 2.087 122.250 119.950 0.356 0.000 2.518 425 F HA 0.360 4.887 4.527 -0.000 0.000 0.323 425 F C -2.197 173.736 175.800 0.221 0.000 1.129 425 F CA -2.293 55.833 58.000 0.209 0.000 0.920 425 F CB 2.186 41.360 39.000 0.289 0.000 1.160 425 F HN -0.302 nan 8.300 nan 0.000 0.440 426 P HA 0.454 nan 4.420 nan 0.000 0.278 426 P C 0.289 177.790 177.300 0.336 0.000 1.238 426 P CA 0.210 63.433 63.100 0.204 0.000 0.794 426 P CB 1.526 33.245 31.700 0.032 0.000 0.955 427 G N 2.051 111.046 108.800 0.325 0.000 2.587 427 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.212 427 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.212 427 G C -0.542 174.588 174.900 0.385 0.000 1.327 427 G CA -0.621 44.733 45.100 0.423 0.000 0.898 427 G HN 0.710 nan 8.290 nan 0.000 0.551 428 N N 0.183 119.092 118.700 0.349 0.000 2.421 428 N HA 0.439 5.179 4.740 -0.000 0.000 0.260 428 N C -0.114 175.513 175.510 0.196 0.000 1.173 428 N CA 0.192 53.355 53.050 0.189 0.000 0.960 428 N CB 0.495 39.011 38.487 0.048 0.000 1.273 428 N HN 0.721 nan 8.380 nan 0.000 0.497 429 V N 1.969 122.001 119.914 0.197 0.000 2.495 429 V HA 0.799 4.919 4.120 -0.000 0.000 0.298 429 V C 0.983 177.114 176.094 0.061 0.000 1.031 429 V CA -0.585 61.800 62.300 0.141 0.000 0.871 429 V CB 1.308 33.245 31.823 0.191 0.000 0.988 429 V HN 0.663 nan 8.190 nan 0.000 0.432 430 G N 2.179 110.961 108.800 -0.031 0.000 3.264 430 G HA2 0.466 4.426 3.960 -0.000 0.000 0.168 430 G HA3 0.466 4.426 3.960 -0.000 0.000 0.168 430 G C -1.692 173.189 174.900 -0.033 0.000 1.145 430 G CA -0.442 44.655 45.100 -0.005 0.000 0.855 430 G HN 0.445 nan 8.290 nan 0.000 0.629 431 Y N -0.119 120.088 120.300 -0.155 0.000 2.334 431 Y HA 0.454 5.004 4.550 -0.000 0.000 0.328 431 Y C 1.360 177.088 175.900 -0.286 0.000 1.130 431 Y CA -0.619 57.366 58.100 -0.191 0.000 1.163 431 Y CB 1.954 40.361 38.460 -0.088 0.000 1.207 431 Y HN 0.273 nan 8.280 nan 0.000 0.471 432 V N 6.137 125.448 119.914 -1.005 0.000 2.439 432 V HA -0.272 3.848 4.120 -0.000 0.000 0.253 432 V C -0.257 175.331 176.094 -0.843 0.000 1.074 432 V CA 1.855 63.531 62.300 -1.039 0.000 1.076 432 V CB -0.721 30.403 31.823 -1.164 0.000 0.664 432 V HN 0.661 nan 8.190 nan 0.000 0.461 433 Y N 0.654 120.502 120.300 -0.754 0.000 2.804 433 Y HA 0.742 5.292 4.550 -0.000 0.000 0.330 433 Y C 0.261 176.039 175.900 -0.203 0.000 1.092 433 Y CA -0.441 57.454 58.100 -0.341 0.000 1.315 433 Y CB 0.200 38.541 38.460 -0.198 0.000 1.188 433 Y HN 0.262 nan 8.280 nan 0.000 0.512 434 A N 1.280 124.070 122.820 -0.049 0.000 2.581 434 A HA 0.757 5.077 4.320 -0.000 0.000 0.290 434 A C -0.486 177.073 177.584 -0.042 0.000 1.119 434 A CA -0.952 51.057 52.037 -0.047 0.000 0.670 434 A CB 1.233 20.214 19.000 -0.031 0.000 1.280 434 A HN 0.508 nan 8.150 nan 0.000 0.425 435 E N -0.236 119.945 120.200 -0.033 0.000 2.989 435 E HA 0.132 4.482 4.350 -0.000 0.000 0.207 435 E C 0.134 176.724 176.600 -0.016 0.000 0.989 435 E CA -0.145 56.252 56.400 -0.005 0.000 1.186 435 E CB 0.981 30.690 29.700 0.016 0.000 1.141 435 E HN 0.611 nan 8.360 nan 0.000 0.454 436 E N 1.222 121.394 120.200 -0.046 0.000 2.112 436 E HA -0.053 4.297 4.350 -0.000 0.000 0.190 436 E C 1.856 178.398 176.600 -0.097 0.000 0.979 436 E CA 1.396 57.756 56.400 -0.068 0.000 0.814 436 E CB 0.016 29.670 29.700 -0.076 0.000 0.762 436 E HN 0.309 nan 8.360 nan 0.000 0.460 437 A N 0.956 123.709 122.820 -0.111 0.000 1.877 437 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 437 A C 2.454 179.980 177.584 -0.096 0.000 1.186 437 A CA 2.159 54.111 52.037 -0.141 0.000 0.620 437 A CB -1.095 17.834 19.000 -0.118 0.000 0.822 437 A HN 0.363 nan 8.150 nan 0.000 0.443 438 A N -0.236 122.566 122.820 -0.030 0.000 1.883 438 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 438 A C 2.251 179.888 177.584 0.089 0.000 1.186 438 A CA 1.653 53.701 52.037 0.018 0.000 0.624 438 A CB -0.529 18.545 19.000 0.123 0.000 0.822 438 A HN 0.548 nan 8.150 nan 0.000 0.444 439 R N -1.059 119.484 120.500 0.073 0.000 2.091 439 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 439 R C 2.389 178.712 176.300 0.038 0.000 1.136 439 R CA 1.265 57.410 56.100 0.075 0.000 0.959 439 R CB -0.690 29.613 30.300 0.005 0.000 0.856 439 R HN 0.555 nan 8.270 nan 0.000 0.437 440 G N 0.650 109.414 108.800 -0.060 0.000 2.422 440 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 440 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 440 G C 1.385 176.188 174.900 -0.162 0.000 1.146 440 G CA 0.426 45.455 45.100 -0.118 0.000 0.769 440 G HN 0.183 nan 8.290 nan 0.000 0.547 441 M N -0.821 118.660 119.600 -0.199 0.000 2.132 441 M HA 0.004 4.484 4.480 -0.000 0.000 0.263 441 M C 2.333 178.463 176.300 -0.283 0.000 1.065 441 M CA 1.312 56.430 55.300 -0.304 0.000 1.122 441 M CB -0.089 32.341 32.600 -0.284 0.000 1.365 441 M HN 0.388 nan 8.290 nan 0.000 0.411 442 Y N -1.580 118.683 120.300 -0.063 0.000 2.337 442 Y HA -0.234 4.316 4.550 -0.000 0.000 0.293 442 Y C 2.425 178.353 175.900 0.047 0.000 1.123 442 Y CA 1.579 59.651 58.100 -0.047 0.000 1.201 442 Y CB -0.520 37.860 38.460 -0.133 0.000 1.011 442 Y HN 0.431 nan 8.280 nan 0.000 0.545 443 H N -1.086 118.019 119.070 0.058 0.000 2.357 443 H HA -0.203 4.353 4.556 -0.000 0.000 0.301 443 H C 2.191 177.469 175.328 -0.083 0.000 1.082 443 H CA 2.284 58.329 56.048 -0.005 0.000 1.342 443 H CB -0.202 29.534 29.762 -0.044 0.000 1.389 443 H HN 0.338 nan 8.280 nan 0.000 0.511 444 H N -1.207 117.683 119.070 -0.300 0.000 2.389 444 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 444 H C 2.070 177.102 175.328 -0.493 0.000 1.081 444 H CA 1.834 57.550 56.048 -0.553 0.000 1.345 444 H CB -0.656 28.577 29.762 -0.882 0.000 1.393 444 H HN 0.576 nan 8.280 nan 0.000 0.520 445 W N 0.597 121.554 121.300 -0.573 0.000 2.338 445 W HA -0.273 4.387 4.660 -0.000 0.000 0.304 445 W C 2.383 178.738 176.519 -0.273 0.000 1.212 445 W CA 2.105 59.292 57.345 -0.263 0.000 1.264 445 W CB -0.261 29.204 29.460 0.008 0.000 1.142 445 W HN 0.256 nan 8.180 nan 0.000 0.512 446 M N 0.972 120.515 119.600 -0.095 0.000 2.117 446 M HA -0.182 4.298 4.480 -0.000 0.000 0.262 446 M C 1.943 177.966 176.300 -0.461 0.000 1.065 446 M CA 1.899 57.029 55.300 -0.284 0.000 1.114 446 M CB -0.757 31.798 32.600 -0.076 0.000 1.361 446 M HN 0.108 nan 8.290 nan 0.000 0.408 447 R N -0.248 119.947 120.500 -0.507 0.000 2.073 447 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 447 R C 2.306 178.311 176.300 -0.492 0.000 1.134 447 R CA 1.875 57.694 56.100 -0.468 0.000 0.952 447 R CB -0.381 29.651 30.300 -0.447 0.000 0.850 447 R HN 0.463 nan 8.270 nan 0.000 0.433 448 M N -0.197 119.019 119.600 -0.640 0.000 2.149 448 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 448 M C 2.152 178.137 176.300 -0.525 0.000 1.064 448 M CA 1.433 56.380 55.300 -0.589 0.000 1.102 448 M CB -0.129 32.129 32.600 -0.570 0.000 1.369 448 M HN 0.159 nan 8.290 nan 0.000 0.408 449 M N -0.614 118.606 119.600 -0.633 0.000 2.349 449 M HA -0.049 4.431 4.480 -0.000 0.000 0.266 449 M C 2.255 178.315 176.300 -0.400 0.000 1.076 449 M CA 1.446 56.386 55.300 -0.600 0.000 1.126 449 M CB -0.754 31.283 32.600 -0.938 0.000 1.392 449 M HN 0.331 nan 8.290 nan 0.000 0.440 450 S N -1.160 114.327 115.700 -0.355 0.000 2.492 450 S HA 0.125 4.595 4.470 -0.000 0.000 0.218 450 S C 0.490 174.975 174.600 -0.192 0.000 1.016 450 S CA -0.278 57.784 58.200 -0.230 0.000 0.916 450 S CB 0.046 63.130 63.200 -0.194 0.000 0.791 450 S HN 0.403 nan 8.310 nan 0.000 0.513 451 E N 2.897 122.958 120.200 -0.233 0.000 2.109 451 E HA 0.290 4.640 4.350 -0.000 0.000 0.278 451 E C -1.933 174.534 176.600 -0.222 0.000 0.954 451 E CA -2.340 53.942 56.400 -0.195 0.000 0.779 451 E CB 1.624 31.212 29.700 -0.187 0.000 1.093 451 E HN 0.228 nan 8.360 nan 0.000 0.401 452 P HA -0.067 nan 4.420 nan 0.000 0.224 452 P C 0.313 177.519 177.300 -0.155 0.000 1.157 452 P CA 0.515 63.525 63.100 -0.151 0.000 0.799 452 P CB 0.558 32.203 31.700 -0.092 0.000 0.809 453 S N -1.373 114.252 115.700 -0.125 0.000 2.472 453 S HA 0.295 4.765 4.470 -0.000 0.000 0.303 453 S C 0.131 174.706 174.600 -0.042 0.000 1.099 453 S CA -0.736 57.431 58.200 -0.054 0.000 1.077 453 S CB 0.377 63.581 63.200 0.007 0.000 1.031 453 S HN 0.008 nan 8.310 nan 0.000 0.487 454 W N 3.213 124.531 121.300 0.030 0.000 2.611 454 W HA 0.030 4.690 4.660 -0.000 0.000 0.251 454 W C 2.260 178.798 176.519 0.032 0.000 1.265 454 W CA 0.501 57.876 57.345 0.050 0.000 1.295 454 W CB -0.034 29.458 29.460 0.054 0.000 1.129 454 W HN 0.916 nan 8.180 nan 0.000 0.630 455 A N -0.170 122.782 122.820 0.219 0.000 1.972 455 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 455 A C 1.990 179.638 177.584 0.107 0.000 1.169 455 A CA 2.364 54.481 52.037 0.135 0.000 0.635 455 A CB -1.068 17.982 19.000 0.084 0.000 0.810 455 A HN 0.313 nan 8.150 nan 0.000 0.446 456 T N -3.580 111.029 114.554 0.092 0.000 3.039 456 T HA 0.209 4.559 4.350 -0.000 0.000 0.250 456 T C 1.783 176.553 174.700 0.117 0.000 1.052 456 T CA 0.754 62.897 62.100 0.073 0.000 1.125 456 T CB -0.250 68.634 68.868 0.027 0.000 0.908 456 T HN 0.182 nan 8.240 nan 0.000 0.473 457 L N 0.969 122.278 121.223 0.143 0.000 2.179 457 L HA 0.212 4.552 4.340 -0.000 0.000 0.208 457 L C 0.831 178.015 176.870 0.523 0.000 1.096 457 L CA 0.413 55.385 54.840 0.221 0.000 0.779 457 L CB -0.178 41.802 42.059 -0.132 0.000 0.922 457 L HN 0.315 nan 8.230 nan 0.000 0.443 458 K N 0.899 121.569 120.400 0.450 0.000 2.355 458 K HA 0.213 4.533 4.320 -0.000 0.000 0.270 458 K C -2.299 174.111 176.600 -0.317 0.000 1.003 458 K CA -1.362 54.975 56.287 0.084 0.000 0.957 458 K CB -0.815 31.719 32.500 0.056 0.000 0.939 458 K HN -0.106 nan 8.250 nan 0.000 0.482 459 P HA 0.000 nan 4.420 nan 0.000 0.216 459 P CA 0.000 62.660 63.100 -0.734 0.000 0.800 459 P CB 0.000 31.144 31.700 -0.927 0.000 0.726