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 2xsh_1_I 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 PTCSFLPAMN 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 0.000 175.461 175.510 -0.082 0.000 1.280 18 N CA 0.000 53.058 53.050 0.013 0.000 0.885 18 N CB 0.000 38.476 38.487 -0.018 0.000 1.341 19 W N 2.356 123.653 121.300 -0.005 0.000 2.478 19 W HA 0.473 5.133 4.660 -0.000 0.000 0.318 19 W C 0.732 177.233 176.519 -0.029 0.000 1.062 19 W CA -0.469 56.868 57.345 -0.012 0.000 1.210 19 W CB 1.445 30.898 29.460 -0.013 0.000 1.325 19 W HN 0.378 nan 8.180 nan 0.000 0.496 20 T N 0.316 114.969 114.554 0.166 0.000 2.882 20 T HA 0.253 4.603 4.350 -0.000 0.000 0.287 20 T C -1.831 172.926 174.700 0.095 0.000 1.014 20 T CA -1.616 60.539 62.100 0.091 0.000 1.049 20 T CB 1.537 70.430 68.868 0.041 0.000 1.001 20 T HN 0.106 nan 8.240 nan 0.000 0.525 21 P HA -0.104 nan 4.420 nan 0.000 0.216 21 P C 1.273 178.581 177.300 0.012 0.000 1.150 21 P CA 1.082 64.178 63.100 -0.007 0.000 0.843 21 P CB 0.056 31.739 31.700 -0.029 0.000 0.787 22 E N -0.221 119.995 120.200 0.028 0.000 2.038 22 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 22 E C 2.186 178.828 176.600 0.071 0.000 1.000 22 E CA 1.772 58.193 56.400 0.035 0.000 0.803 22 E CB -1.363 28.352 29.700 0.026 0.000 0.750 22 E HN 0.148 nan 8.360 nan 0.000 0.448 23 A N 0.409 123.300 122.820 0.119 0.000 1.933 23 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 23 A C 2.278 180.039 177.584 0.296 0.000 1.175 23 A CA 1.290 53.461 52.037 0.223 0.000 0.628 23 A CB -0.665 18.497 19.000 0.268 0.000 0.814 23 A HN 0.207 nan 8.150 nan 0.000 0.444 24 I N -1.020 119.667 120.570 0.196 0.000 2.202 24 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 24 I C 2.666 178.785 176.117 0.004 0.000 1.091 24 I CA 1.198 62.515 61.300 0.028 0.000 1.368 24 I CB -0.331 37.600 38.000 -0.115 0.000 1.058 24 I HN 0.259 nan 8.210 nan 0.000 0.410 25 R N 0.625 121.125 120.500 -0.000 0.000 2.200 25 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 25 R C 2.173 178.496 176.300 0.039 0.000 1.127 25 R CA 1.302 57.403 56.100 0.001 0.000 0.989 25 R CB -0.577 29.721 30.300 -0.003 0.000 0.869 25 R HN 0.464 nan 8.270 nan 0.000 0.459 26 G N 0.315 109.154 108.800 0.064 0.000 2.650 26 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.214 26 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.214 26 G C 1.315 176.255 174.900 0.067 0.000 1.136 26 G CA -0.065 45.077 45.100 0.069 0.000 0.789 26 G HN 0.155 nan 8.290 nan 0.000 0.536 27 L N -0.025 121.244 121.223 0.076 0.000 2.313 27 L HA 0.150 4.490 4.340 -0.000 0.000 0.214 27 L C 0.087 176.954 176.870 -0.005 0.000 1.119 27 L CA 0.225 55.092 54.840 0.045 0.000 0.809 27 L CB 0.109 42.210 42.059 0.069 0.000 0.933 27 L HN -0.050 nan 8.230 nan 0.000 0.449 28 V N -0.797 119.138 119.914 0.034 0.000 2.623 28 V HA 0.330 4.450 4.120 -0.000 0.000 0.304 28 V C -1.176 174.949 176.094 0.051 0.000 1.054 28 V CA -0.741 61.576 62.300 0.028 0.000 0.882 28 V CB 2.411 34.297 31.823 0.106 0.000 1.002 28 V HN -0.086 nan 8.190 nan 0.000 0.424 29 D N 3.421 123.835 120.400 0.024 0.000 2.375 29 D HA 0.233 4.873 4.640 -0.000 0.000 0.259 29 D C 0.811 177.117 176.300 0.010 0.000 1.235 29 D CA -0.327 53.687 54.000 0.023 0.000 0.924 29 D CB 1.904 42.707 40.800 0.005 0.000 1.143 29 D HN 0.756 nan 8.370 nan 0.000 0.529 30 Q N 1.438 121.244 119.800 0.011 0.000 2.482 30 Q HA 0.019 4.359 4.340 -0.000 0.000 0.209 30 Q C 0.458 176.426 176.000 -0.053 0.000 0.961 30 Q CA 0.731 56.514 55.803 -0.034 0.000 0.945 30 Q CB 0.454 29.127 28.738 -0.107 0.000 1.012 30 Q HN 0.218 nan 8.270 nan 0.000 0.515 31 E N 1.844 122.021 120.200 -0.038 0.000 2.075 31 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 31 E C 1.322 177.909 176.600 -0.022 0.000 0.969 31 E CA 0.903 57.283 56.400 -0.033 0.000 0.815 31 E CB 0.127 29.813 29.700 -0.024 0.000 0.776 31 E HN 0.432 nan 8.360 nan 0.000 0.457 32 K N -0.215 120.176 120.400 -0.015 0.000 2.379 32 K HA 0.148 4.468 4.320 -0.000 0.000 0.194 32 K C 0.627 177.218 176.600 -0.015 0.000 1.031 32 K CA 0.506 56.785 56.287 -0.013 0.000 1.037 32 K CB 0.678 33.173 32.500 -0.009 0.000 0.824 32 K HN 0.193 nan 8.250 nan 0.000 0.516 33 G N 2.081 110.871 108.800 -0.017 0.000 2.368 33 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.290 33 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.290 33 G C -0.516 174.368 174.900 -0.025 0.000 1.098 33 G CA -0.208 44.882 45.100 -0.017 0.000 1.073 33 G HN 0.131 nan 8.290 nan 0.000 0.511 34 L N -0.103 121.100 121.223 -0.034 0.000 2.409 34 L HA 0.667 5.007 4.340 -0.000 0.000 0.272 34 L C 0.247 177.064 176.870 -0.089 0.000 0.980 34 L CA -0.991 53.820 54.840 -0.050 0.000 0.826 34 L CB 1.912 43.952 42.059 -0.032 0.000 1.268 34 L HN 0.121 nan 8.230 nan 0.000 0.407 35 L N 2.251 123.392 121.223 -0.136 0.000 2.341 35 L HA 0.462 4.802 4.340 -0.000 0.000 0.278 35 L C -0.287 176.482 176.870 -0.168 0.000 1.005 35 L CA -0.637 54.061 54.840 -0.236 0.000 0.818 35 L CB 1.994 43.802 42.059 -0.417 0.000 1.259 35 L HN 0.491 nan 8.230 nan 0.000 0.418 36 D N 4.362 124.662 120.400 -0.166 0.000 2.343 36 D HA 0.126 4.766 4.640 -0.000 0.000 0.255 36 D C -1.719 174.498 176.300 -0.138 0.000 1.187 36 D CA -1.445 52.493 54.000 -0.104 0.000 0.875 36 D CB 2.033 42.805 40.800 -0.046 0.000 1.136 36 D HN 0.265 nan 8.370 nan 0.000 0.469 37 P HA -0.017 nan 4.420 nan 0.000 0.228 37 P C 1.081 178.418 177.300 0.061 0.000 1.151 37 P CA 0.613 63.763 63.100 0.084 0.000 0.770 37 P CB 0.279 32.029 31.700 0.084 0.000 0.786 38 R N 0.124 120.625 120.500 0.002 0.000 2.193 38 R HA -0.080 4.260 4.340 -0.000 0.000 0.229 38 R C 2.272 178.525 176.300 -0.078 0.000 1.110 38 R CA 1.134 57.255 56.100 0.035 0.000 0.988 38 R CB -1.010 29.375 30.300 0.142 0.000 0.871 38 R HN 0.347 nan 8.270 nan 0.000 0.458 39 I N -2.472 117.913 120.570 -0.309 0.000 2.423 39 I HA -0.261 3.909 4.170 -0.000 0.000 0.254 39 I C 1.032 176.795 176.117 -0.590 0.000 1.151 39 I CA 1.562 62.520 61.300 -0.570 0.000 1.421 39 I CB -0.337 37.026 38.000 -1.062 0.000 1.079 39 I HN 0.058 nan 8.210 nan 0.000 0.431 40 Y N 0.864 120.976 120.300 -0.314 0.000 2.500 40 Y HA 0.424 4.974 4.550 -0.000 0.000 0.270 40 Y C 2.358 178.207 175.900 -0.084 0.000 1.134 40 Y CA 0.301 58.221 58.100 -0.299 0.000 1.293 40 Y CB 0.239 38.516 38.460 -0.306 0.000 1.063 40 Y HN 0.256 nan 8.280 nan 0.000 0.534 41 A N -1.107 121.773 122.820 0.100 0.000 2.242 41 A HA 0.108 4.428 4.320 -0.000 0.000 0.205 41 A C -0.275 177.378 177.584 0.116 0.000 1.353 41 A CA -0.182 51.922 52.037 0.112 0.000 1.005 41 A CB 0.031 19.102 19.000 0.119 0.000 1.127 41 A HN 0.192 nan 8.150 nan 0.000 0.498 42 D N -0.111 120.365 120.400 0.127 0.000 2.343 42 D HA 0.302 4.942 4.640 -0.000 0.000 0.255 42 D C 1.147 177.572 176.300 0.207 0.000 1.187 42 D CA -0.011 54.102 54.000 0.188 0.000 0.875 42 D CB 1.087 42.036 40.800 0.247 0.000 1.136 42 D HN 0.203 nan 8.370 nan 0.000 0.469 43 Q N 2.063 121.983 119.800 0.201 0.000 2.135 43 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 43 Q C 1.492 177.651 176.000 0.266 0.000 0.981 43 Q CA 1.739 57.672 55.803 0.216 0.000 0.856 43 Q CB -0.066 28.765 28.738 0.156 0.000 0.902 43 Q HN 0.500 nan 8.270 nan 0.000 0.425 44 S N -0.076 115.785 115.700 0.269 0.000 2.355 44 S HA -0.080 4.390 4.470 -0.000 0.000 0.222 44 S C 1.820 176.527 174.600 0.178 0.000 1.031 44 S CA 1.197 59.562 58.200 0.276 0.000 0.993 44 S CB -0.348 63.117 63.200 0.442 0.000 0.859 44 S HN 0.385 nan 8.310 nan 0.000 0.453 45 L N -0.065 121.210 121.223 0.085 0.000 2.083 45 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 45 L C 2.369 179.312 176.870 0.122 0.000 1.083 45 L CA 1.536 56.331 54.840 -0.075 0.000 0.752 45 L CB -0.559 41.395 42.059 -0.175 0.000 0.899 45 L HN 0.335 nan 8.230 nan 0.000 0.433 46 Y N 1.194 121.567 120.300 0.121 0.000 2.128 46 Y HA -0.301 4.249 4.550 -0.000 0.000 0.284 46 Y C 2.468 178.453 175.900 0.141 0.000 1.154 46 Y CA 1.941 60.146 58.100 0.175 0.000 1.149 46 Y CB -0.160 38.391 38.460 0.152 0.000 0.976 46 Y HN 0.169 nan 8.280 nan 0.000 0.505 47 E N -0.412 119.821 120.200 0.055 0.000 2.153 47 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 47 E C 2.069 178.618 176.600 -0.084 0.000 0.988 47 E CA 1.069 57.448 56.400 -0.034 0.000 0.811 47 E CB -0.162 29.588 29.700 0.083 0.000 0.746 47 E HN 0.368 nan 8.360 nan 0.000 0.466 48 L N 0.938 122.132 121.223 -0.048 0.000 2.156 48 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 48 L C 2.064 178.873 176.870 -0.102 0.000 1.095 48 L CA 1.538 56.332 54.840 -0.076 0.000 0.770 48 L CB -0.762 41.241 42.059 -0.093 0.000 0.914 48 L HN 0.214 nan 8.230 nan 0.000 0.439 49 E N -0.099 120.060 120.200 -0.068 0.000 2.051 49 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 49 E C 2.366 179.008 176.600 0.070 0.000 0.991 49 E CA 0.838 57.258 56.400 0.034 0.000 0.799 49 E CB -0.044 29.825 29.700 0.281 0.000 0.748 49 E HN 0.406 nan 8.360 nan 0.000 0.449 50 L N 0.850 122.030 121.223 -0.072 0.000 2.042 50 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 50 L C 2.647 179.525 176.870 0.012 0.000 1.076 50 L CA 1.376 56.196 54.840 -0.033 0.000 0.749 50 L CB -0.374 41.549 42.059 -0.227 0.000 0.893 50 L HN 0.215 nan 8.230 nan 0.000 0.432 51 E N -0.087 120.085 120.200 -0.047 0.000 2.008 51 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 51 E C 2.329 178.898 176.600 -0.052 0.000 0.986 51 E CA 0.760 57.130 56.400 -0.050 0.000 0.807 51 E CB 0.146 29.806 29.700 -0.066 0.000 0.766 51 E HN 0.217 nan 8.360 nan 0.000 0.450 52 R N 0.009 120.448 120.500 -0.100 0.000 2.193 52 R HA 0.026 4.366 4.340 -0.000 0.000 0.213 52 R C 1.956 178.155 176.300 -0.169 0.000 1.055 52 R CA 0.434 56.437 56.100 -0.162 0.000 0.995 52 R CB 0.243 30.401 30.300 -0.238 0.000 0.893 52 R HN 0.217 nan 8.270 nan 0.000 0.459 53 V N -1.053 118.774 119.914 -0.145 0.000 2.870 53 V HA 0.025 4.145 4.120 -0.000 0.000 0.232 53 V C 1.643 177.590 176.094 -0.244 0.000 1.161 53 V CA 0.686 62.850 62.300 -0.226 0.000 1.204 53 V CB -0.408 31.195 31.823 -0.366 0.000 1.003 53 V HN -0.018 nan 8.190 nan 0.000 0.499 54 F N 1.790 121.686 119.950 -0.089 0.000 2.259 54 F HA 0.093 4.620 4.527 0.000 0.000 0.298 54 F C 2.358 178.195 175.800 0.062 0.000 1.088 54 F CA 1.358 59.317 58.000 -0.068 0.000 1.358 54 F CB -0.833 38.084 39.000 -0.139 0.000 1.040 54 F HN 0.253 nan 8.300 nan 0.000 0.505 55 G N 0.373 109.302 108.800 0.215 0.000 2.509 55 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.218 55 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.218 55 G C 1.454 176.505 174.900 0.252 0.000 1.124 55 G CA 0.727 45.962 45.100 0.225 0.000 0.776 55 G HN 0.476 nan 8.290 nan 0.000 0.547 56 R N -1.229 119.375 120.500 0.174 0.000 2.539 56 R HA 0.336 4.676 4.340 -0.000 0.000 0.342 56 R C 0.002 176.390 176.300 0.146 0.000 0.941 56 R CA -0.230 55.988 56.100 0.195 0.000 1.146 56 R CB 0.218 30.726 30.300 0.346 0.000 1.541 56 R HN 0.066 nan 8.270 nan 0.000 0.525 57 S N 0.959 116.704 115.700 0.074 0.000 2.610 57 S HA 0.242 4.712 4.470 -0.000 0.000 0.273 57 S C -0.906 173.555 174.600 -0.232 0.000 1.274 57 S CA -0.619 57.605 58.200 0.039 0.000 1.023 57 S CB 0.535 63.796 63.200 0.100 0.000 0.962 57 S HN 0.219 nan 8.310 nan 0.000 0.523 58 W N 2.600 123.663 121.300 -0.395 0.000 2.419 58 W HA 0.417 5.077 4.660 0.000 0.000 0.312 58 W C -0.468 176.104 176.519 0.089 0.000 1.323 58 W CA -0.340 56.828 57.345 -0.295 0.000 1.293 58 W CB 0.019 29.074 29.460 -0.674 0.000 1.324 58 W HN 0.279 nan 8.180 nan 0.000 0.512 59 L N 5.036 126.486 121.223 0.379 0.000 2.334 59 L HA 0.490 4.830 4.340 -0.000 0.000 0.276 59 L C -0.243 176.814 176.870 0.313 0.000 1.014 59 L CA -1.491 53.547 54.840 0.330 0.000 0.815 59 L CB 1.163 43.318 42.059 0.161 0.000 1.268 59 L HN 0.197 nan 8.230 nan 0.000 0.428 60 L N 2.586 123.902 121.223 0.155 0.000 2.349 60 L HA 0.263 4.603 4.340 -0.000 0.000 0.275 60 L C 0.260 177.081 176.870 -0.082 0.000 1.115 60 L CA 0.518 55.230 54.840 -0.213 0.000 0.820 60 L CB 0.831 42.755 42.059 -0.224 0.000 1.135 60 L HN 0.592 nan 8.230 nan 0.000 0.445 61 L N 4.041 125.189 121.223 -0.124 0.000 2.609 61 L HA 0.557 4.897 4.340 -0.000 0.000 0.230 61 L C 1.002 177.832 176.870 -0.065 0.000 1.064 61 L CA 0.426 55.230 54.840 -0.059 0.000 0.873 61 L CB 0.133 42.146 42.059 -0.076 0.000 1.139 61 L HN 0.876 nan 8.230 nan 0.000 0.490 62 G N -1.654 107.092 108.800 -0.090 0.000 2.591 62 G HA2 0.084 4.044 3.960 -0.000 0.000 0.104 62 G HA3 0.084 4.044 3.960 -0.000 0.000 0.104 62 G C -1.732 173.151 174.900 -0.029 0.000 1.097 62 G CA -0.504 44.494 45.100 -0.171 0.000 1.076 62 G HN 0.022 nan 8.290 nan 0.000 0.485 63 H N 0.465 119.503 119.070 -0.055 0.000 2.961 63 H HA 0.424 4.980 4.556 -0.000 0.000 0.371 63 H C 0.846 176.110 175.328 -0.106 0.000 1.190 63 H CA -0.024 55.946 56.048 -0.131 0.000 1.138 63 H CB 2.362 31.962 29.762 -0.269 0.000 1.816 63 H HN 0.601 nan 8.280 nan 0.000 0.551 64 E N 0.971 120.889 120.200 -0.470 0.000 2.147 64 E HA -0.200 4.150 4.350 -0.000 0.000 0.199 64 E C 1.669 178.245 176.600 -0.041 0.000 1.005 64 E CA 1.986 58.249 56.400 -0.227 0.000 0.810 64 E CB 0.187 29.712 29.700 -0.293 0.000 0.736 64 E HN 0.587 nan 8.360 nan 0.000 0.460 65 S N -0.488 115.287 115.700 0.125 0.000 2.555 65 S HA -0.104 4.366 4.470 -0.000 0.000 0.230 65 S C 1.387 175.957 174.600 -0.049 0.000 0.978 65 S CA 0.620 58.852 58.200 0.055 0.000 0.934 65 S CB -0.327 62.908 63.200 0.058 0.000 0.766 65 S HN 0.367 nan 8.310 nan 0.000 0.533 66 H N 0.903 119.975 119.070 0.004 0.000 2.495 66 H HA 0.147 4.703 4.556 0.000 0.000 0.287 66 H C 0.744 176.039 175.328 -0.054 0.000 1.033 66 H CA 1.073 57.083 56.048 -0.064 0.000 1.307 66 H CB 0.303 29.990 29.762 -0.125 0.000 1.401 66 H HN 0.489 nan 8.280 nan 0.000 0.555 67 V N -1.446 118.513 119.914 0.076 0.000 2.361 67 V HA 0.239 4.359 4.120 -0.000 0.000 0.252 67 V C -2.330 173.778 176.094 0.025 0.000 0.986 67 V CA -1.441 60.884 62.300 0.043 0.000 1.033 67 V CB 1.425 33.285 31.823 0.061 0.000 1.282 67 V HN 0.038 nan 8.190 nan 0.000 0.514 68 P HA 0.104 nan 4.420 nan 0.000 0.219 68 P C 0.376 177.681 177.300 0.008 0.000 1.154 68 P CA 1.165 64.268 63.100 0.006 0.000 0.826 68 P CB 0.699 32.398 31.700 -0.002 0.000 0.795 69 E N -0.393 119.812 120.200 0.010 0.000 2.259 69 E HA 0.255 4.605 4.350 -0.000 0.000 0.257 69 E C -0.094 176.523 176.600 0.030 0.000 0.998 69 E CA -0.585 55.823 56.400 0.014 0.000 0.866 69 E CB 0.048 29.752 29.700 0.007 0.000 1.220 69 E HN -0.182 nan 8.360 nan 0.000 0.415 70 T N 0.714 115.287 114.554 0.032 0.000 2.817 70 T HA 0.321 4.671 4.350 -0.000 0.000 0.295 70 T C 0.973 175.711 174.700 0.063 0.000 0.958 70 T CA 1.073 63.201 62.100 0.047 0.000 1.157 70 T CB -0.031 68.859 68.868 0.036 0.000 0.898 70 T HN 0.695 nan 8.240 nan 0.000 0.536 71 G N 3.687 112.548 108.800 0.102 0.000 2.159 71 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.256 71 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.256 71 G C -0.220 174.799 174.900 0.199 0.000 0.977 71 G CA -0.392 44.797 45.100 0.149 0.000 0.652 71 G HN 0.688 nan 8.290 nan 0.000 0.531 72 D N 0.525 120.999 120.400 0.124 0.000 2.390 72 D HA 0.537 5.177 4.640 -0.000 0.000 0.249 72 D C 0.631 177.024 176.300 0.154 0.000 1.144 72 D CA 0.357 54.387 54.000 0.049 0.000 0.880 72 D CB 0.337 41.135 40.800 -0.004 0.000 1.182 72 D HN 0.454 nan 8.370 nan 0.000 0.451 73 F N 0.719 120.743 119.950 0.124 0.000 2.611 73 F HA 0.763 5.290 4.527 0.000 0.000 0.324 73 F C -1.425 174.410 175.800 0.058 0.000 1.061 73 F CA -1.542 56.535 58.000 0.129 0.000 0.954 73 F CB 1.071 40.234 39.000 0.271 0.000 1.301 73 F HN 0.117 nan 8.300 nan 0.000 0.482 74 L N 2.402 123.788 121.223 0.271 0.000 2.528 74 L HA 0.781 5.121 4.340 -0.000 0.000 0.267 74 L C -1.031 175.906 176.870 0.112 0.000 0.961 74 L CA -0.578 54.341 54.840 0.132 0.000 0.866 74 L CB 1.546 43.600 42.059 -0.007 0.000 1.248 74 L HN 1.057 nan 8.230 nan 0.000 0.404 75 A N 3.382 126.292 122.820 0.150 0.000 2.354 75 A HA 0.673 4.993 4.320 -0.000 0.000 0.281 75 A C 0.113 177.765 177.584 0.112 0.000 1.174 75 A CA 0.464 52.522 52.037 0.036 0.000 0.828 75 A CB 0.541 19.568 19.000 0.046 0.000 1.099 75 A HN 0.777 nan 8.150 nan 0.000 0.516 76 T N 1.217 115.724 114.554 -0.078 0.000 2.572 76 T HA 0.701 5.051 4.350 -0.000 0.000 0.274 76 T C -1.582 172.785 174.700 -0.556 0.000 0.949 76 T CA -0.326 61.706 62.100 -0.114 0.000 1.126 76 T CB 0.544 69.414 68.868 0.003 0.000 1.478 76 T HN 0.488 nan 8.240 nan 0.000 0.492 77 Y N 0.012 119.970 120.300 -0.570 0.000 2.524 77 Y HA 0.670 5.220 4.550 -0.000 0.000 0.347 77 Y C -0.338 175.376 175.900 -0.311 0.000 1.005 77 Y CA -0.863 56.873 58.100 -0.607 0.000 1.025 77 Y CB 2.331 40.042 38.460 -1.248 0.000 1.275 77 Y HN 0.443 nan 8.280 nan 0.000 0.460 78 M N 3.042 122.647 119.600 0.008 0.000 2.018 78 M HA 0.460 4.940 4.480 -0.000 0.000 0.311 78 M C 0.545 176.917 176.300 0.121 0.000 0.928 78 M CA -0.056 55.310 55.300 0.109 0.000 0.911 78 M CB 1.240 33.939 32.600 0.165 0.000 1.447 78 M HN 0.979 nan 8.290 nan 0.000 0.407 79 G N 2.450 111.233 108.800 -0.029 0.000 2.565 79 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.295 79 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.295 79 G C 0.295 175.067 174.900 -0.213 0.000 1.165 79 G CA 0.274 45.179 45.100 -0.324 0.000 0.977 79 G HN 0.725 nan 8.290 nan 0.000 0.546 80 E N 1.621 121.749 120.200 -0.120 0.000 2.465 80 E HA 0.163 4.513 4.350 -0.000 0.000 0.195 80 E C -0.581 176.097 176.600 0.130 0.000 1.028 80 E CA -0.116 56.272 56.400 -0.020 0.000 0.899 80 E CB 0.310 29.998 29.700 -0.021 0.000 1.032 80 E HN 0.424 nan 8.360 nan 0.000 0.468 81 D N 3.379 123.853 120.400 0.123 0.000 2.313 81 D HA 0.140 4.780 4.640 -0.000 0.000 0.239 81 D C -2.289 173.984 176.300 -0.044 0.000 1.142 81 D CA -1.573 52.471 54.000 0.074 0.000 0.847 81 D CB 1.518 42.372 40.800 0.089 0.000 1.082 81 D HN 0.007 nan 8.370 nan 0.000 0.480 82 P HA 0.066 nan 4.420 nan 0.000 0.276 82 P C -0.347 176.714 177.300 -0.398 0.000 1.230 82 P CA -0.377 62.295 63.100 -0.713 0.000 0.776 82 P CB 1.268 32.626 31.700 -0.571 0.000 0.888 83 V N 0.926 120.567 119.914 -0.454 0.000 3.040 83 V HA 0.650 4.770 4.120 -0.000 0.000 0.312 83 V C -0.509 175.313 176.094 -0.453 0.000 1.115 83 V CA -1.141 60.942 62.300 -0.361 0.000 0.998 83 V CB 2.060 33.731 31.823 -0.253 0.000 1.042 83 V HN 0.226 nan 8.190 nan 0.000 0.433 84 V N 3.448 122.961 119.914 -0.669 0.000 2.459 84 V HA 0.553 4.673 4.120 -0.000 0.000 0.295 84 V C -0.036 175.761 176.094 -0.494 0.000 1.029 84 V CA -0.374 61.529 62.300 -0.663 0.000 0.874 84 V CB 1.485 32.651 31.823 -1.096 0.000 0.985 84 V HN 1.043 nan 8.190 nan 0.000 0.438 85 M N 6.054 125.528 119.600 -0.211 0.000 2.149 85 M HA 0.781 5.261 4.480 -0.000 0.000 0.342 85 M C -1.659 174.670 176.300 0.048 0.000 1.068 85 M CA -0.462 54.787 55.300 -0.086 0.000 0.991 85 M CB 1.552 34.117 32.600 -0.059 0.000 1.596 85 M HN 0.578 nan 8.290 nan 0.000 0.439 86 V N 5.708 125.684 119.914 0.103 0.000 2.655 86 V HA 0.536 4.656 4.120 -0.000 0.000 0.301 86 V C -1.067 175.133 176.094 0.176 0.000 1.082 86 V CA -0.724 61.707 62.300 0.219 0.000 0.899 86 V CB 2.017 34.068 31.823 0.380 0.000 1.014 86 V HN 1.023 nan 8.190 nan 0.000 0.429 87 R N 5.159 125.747 120.500 0.147 0.000 2.537 87 R HA 0.413 4.753 4.340 -0.000 0.000 0.280 87 R C -0.045 176.323 176.300 0.113 0.000 1.058 87 R CA 0.309 56.471 56.100 0.103 0.000 1.057 87 R CB 0.607 30.951 30.300 0.073 0.000 0.973 87 R HN 0.778 nan 8.270 nan 0.000 0.438 88 Q N 2.745 122.597 119.800 0.087 0.000 2.195 88 Q HA 0.152 4.492 4.340 -0.000 0.000 0.250 88 Q C 0.325 176.357 176.000 0.054 0.000 0.988 88 Q CA -0.605 55.245 55.803 0.079 0.000 0.911 88 Q CB 1.006 29.787 28.738 0.073 0.000 1.258 88 Q HN 0.640 nan 8.270 nan 0.000 0.475 89 K N 0.910 121.337 120.400 0.045 0.000 2.147 89 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 89 K C 0.696 177.310 176.600 0.024 0.000 1.049 89 K CA 1.627 57.933 56.287 0.031 0.000 0.936 89 K CB 0.167 32.682 32.500 0.025 0.000 0.722 89 K HN 0.612 nan 8.250 nan 0.000 0.446 90 D N 0.397 120.812 120.400 0.025 0.000 2.324 90 D HA -0.082 4.558 4.640 -0.000 0.000 0.235 90 D C -0.180 176.130 176.300 0.016 0.000 1.095 90 D CA 0.311 54.321 54.000 0.018 0.000 0.871 90 D CB 0.008 40.819 40.800 0.018 0.000 0.906 90 D HN 0.179 nan 8.370 nan 0.000 0.522 91 K N -0.740 119.672 120.400 0.020 0.000 3.500 91 K HA -0.181 4.139 4.320 -0.000 0.000 0.313 91 K C 0.289 176.899 176.600 0.016 0.000 1.338 91 K CA 0.976 57.272 56.287 0.015 0.000 0.963 91 K CB -2.218 30.285 32.500 0.005 0.000 1.267 91 K HN 0.498 nan 8.250 nan 0.000 0.448 92 S N 0.537 116.252 115.700 0.025 0.000 2.632 92 S HA 0.622 5.092 4.470 -0.000 0.000 0.267 92 S C 0.245 174.871 174.600 0.043 0.000 1.276 92 S CA -0.789 57.428 58.200 0.029 0.000 0.998 92 S CB 1.351 64.571 63.200 0.034 0.000 0.953 92 S HN 0.249 nan 8.310 nan 0.000 0.547 93 I N 1.467 122.063 120.570 0.043 0.000 2.418 93 I HA 0.392 4.562 4.170 -0.000 0.000 0.287 93 I C -0.289 175.868 176.117 0.067 0.000 1.008 93 I CA -0.669 60.663 61.300 0.054 0.000 1.104 93 I CB 1.725 39.743 38.000 0.030 0.000 1.264 93 I HN 0.495 nan 8.210 nan 0.000 0.438 94 K N 5.886 126.346 120.400 0.100 0.000 2.182 94 K HA 0.637 4.957 4.320 -0.000 0.000 0.262 94 K C -1.033 175.634 176.600 0.112 0.000 0.957 94 K CA -0.714 55.650 56.287 0.128 0.000 0.842 94 K CB 2.737 35.350 32.500 0.188 0.000 1.099 94 K HN 0.249 nan 8.250 nan 0.000 0.438 95 V N 4.976 124.930 119.914 0.067 0.000 2.409 95 V HA 0.449 4.569 4.120 -0.000 0.000 0.290 95 V C -0.727 175.374 176.094 0.012 0.000 1.017 95 V CA -0.920 61.345 62.300 -0.059 0.000 0.841 95 V CB 0.356 32.093 31.823 -0.143 0.000 1.003 95 V HN 0.675 nan 8.190 nan 0.000 0.426 96 F N 3.591 123.501 119.950 -0.068 0.000 2.593 96 F HA 0.852 5.379 4.527 -0.000 0.000 0.320 96 F C -0.856 174.959 175.800 0.024 0.000 1.060 96 F CA -1.792 56.207 58.000 -0.002 0.000 0.940 96 F CB 1.402 40.383 39.000 -0.032 0.000 1.268 96 F HN 0.336 nan 8.300 nan 0.000 0.475 97 L N 3.050 124.473 121.223 0.334 0.000 2.513 97 L HA 0.208 4.548 4.340 -0.000 0.000 0.272 97 L C 0.370 177.259 176.870 0.032 0.000 1.187 97 L CA 0.341 55.297 54.840 0.192 0.000 0.895 97 L CB -0.195 41.958 42.059 0.156 0.000 1.147 97 L HN 0.787 nan 8.230 nan 0.000 0.483 98 N N 5.214 123.826 118.700 -0.146 0.000 3.193 98 N HA 0.078 4.818 4.740 -0.000 0.000 0.312 98 N C -0.992 174.466 175.510 -0.087 0.000 1.261 98 N CA 0.239 53.174 53.050 -0.193 0.000 1.208 98 N CB -0.301 38.005 38.487 -0.301 0.000 1.471 98 N HN 0.749 nan 8.380 nan 0.000 0.548 99 Q N 0.880 120.669 119.800 -0.018 0.000 2.353 99 Q HA 0.252 4.592 4.340 -0.000 0.000 0.275 99 Q C -1.543 174.484 176.000 0.045 0.000 1.029 99 Q CA -0.720 55.089 55.803 0.010 0.000 0.848 99 Q CB 1.501 30.243 28.738 0.006 0.000 1.390 99 Q HN 0.339 nan 8.270 nan 0.000 0.401 100 C N 3.571 122.921 119.300 0.084 0.000 2.369 100 C HA 0.417 4.877 4.460 -0.000 0.000 0.358 100 C C 1.491 176.584 174.990 0.172 0.000 1.274 100 C CA -0.262 58.855 59.018 0.164 0.000 1.935 100 C CB 0.021 27.880 27.740 0.197 0.000 2.431 100 C HN 0.966 nan 8.230 nan 0.000 0.545 101 R N 1.794 122.472 120.500 0.297 0.000 2.280 101 R HA -0.059 4.281 4.340 -0.000 0.000 0.207 101 R C 1.944 178.396 176.300 0.253 0.000 1.043 101 R CA 0.582 56.901 56.100 0.364 0.000 1.006 101 R CB -0.307 30.369 30.300 0.625 0.000 0.885 101 R HN 0.835 nan 8.270 nan 0.000 0.467 102 H N 0.395 119.348 119.070 -0.196 0.000 2.256 102 H HA -0.036 4.520 4.556 -0.000 0.000 0.301 102 H C 0.943 176.120 175.328 -0.251 0.000 1.062 102 H CA 1.449 57.170 56.048 -0.545 0.000 1.283 102 H CB 0.478 29.403 29.762 -1.396 0.000 1.379 102 H HN -0.075 nan 8.280 nan 0.000 0.493 103 R N -1.208 119.135 120.500 -0.262 0.000 2.518 103 R HA 0.166 4.506 4.340 -0.000 0.000 0.419 103 R C 0.231 176.554 176.300 0.037 0.000 0.902 103 R CA 0.679 56.664 56.100 -0.192 0.000 1.146 103 R CB 0.595 30.707 30.300 -0.314 0.000 1.652 103 R HN 0.630 nan 8.270 nan 0.000 0.555 104 G N 0.575 109.407 108.800 0.053 0.000 2.159 104 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.227 104 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.227 104 G C -0.010 174.935 174.900 0.074 0.000 0.986 104 G CA 0.263 45.401 45.100 0.063 0.000 0.651 104 G HN 0.223 nan 8.290 nan 0.000 0.523 105 M N 1.131 120.801 119.600 0.117 0.000 2.243 105 M HA 0.550 5.030 4.480 -0.000 0.000 0.341 105 M C 0.825 177.163 176.300 0.063 0.000 1.130 105 M CA -0.999 54.359 55.300 0.096 0.000 1.162 105 M CB 0.479 33.176 32.600 0.161 0.000 1.497 105 M HN 0.273 nan 8.290 nan 0.000 0.456 106 R N 3.717 124.234 120.500 0.029 0.000 2.401 106 R HA 0.230 4.570 4.340 -0.000 0.000 0.299 106 R C 0.276 176.594 176.300 0.029 0.000 1.064 106 R CA 0.054 56.156 56.100 0.004 0.000 1.000 106 R CB 0.147 30.439 30.300 -0.013 0.000 0.973 106 R HN 0.917 nan 8.270 nan 0.000 0.438 107 I N 2.655 123.229 120.570 0.007 0.000 2.731 107 I HA 0.011 4.181 4.170 -0.000 0.000 0.260 107 I C 0.824 176.961 176.117 0.033 0.000 1.138 107 I CA 0.072 61.411 61.300 0.065 0.000 1.461 107 I CB 0.345 38.372 38.000 0.045 0.000 1.128 107 I HN 0.464 nan 8.210 nan 0.000 0.438 108 C N 2.783 122.009 119.300 -0.125 0.000 2.225 108 C HA 0.395 4.855 4.460 -0.000 0.000 0.323 108 C C 1.387 176.332 174.990 -0.076 0.000 1.164 108 C CA -0.552 58.362 59.018 -0.173 0.000 1.565 108 C CB -0.687 26.737 27.740 -0.527 0.000 2.124 108 C HN 0.368 nan 8.230 nan 0.000 0.461 109 R N 3.031 123.539 120.500 0.014 0.000 2.388 109 R HA 0.172 4.512 4.340 -0.000 0.000 0.247 109 R C 0.668 177.022 176.300 0.090 0.000 0.931 109 R CA 0.047 56.174 56.100 0.046 0.000 1.082 109 R CB 0.259 30.590 30.300 0.052 0.000 1.135 109 R HN 0.809 nan 8.270 nan 0.000 0.525 110 S N -1.552 114.235 115.700 0.145 0.000 2.638 110 S HA 0.286 4.756 4.470 -0.000 0.000 0.302 110 S C 0.087 174.838 174.600 0.252 0.000 1.096 110 S CA -0.964 57.361 58.200 0.208 0.000 0.953 110 S CB 2.034 65.400 63.200 0.278 0.000 1.107 110 S HN -0.162 nan 8.310 nan 0.000 0.503 111 D N 1.117 121.623 120.400 0.177 0.000 2.117 111 D HA 0.343 4.983 4.640 -0.000 0.000 0.198 111 D C 0.784 177.169 176.300 0.141 0.000 0.982 111 D CA 1.925 55.999 54.000 0.124 0.000 0.828 111 D CB -0.176 40.640 40.800 0.026 0.000 0.967 111 D HN 0.891 nan 8.370 nan 0.000 0.464 112 A N -1.940 120.932 122.820 0.088 0.000 2.586 112 A HA 0.669 4.989 4.320 -0.000 0.000 0.291 112 A C -0.055 177.190 177.584 -0.565 0.000 1.062 112 A CA -0.060 51.841 52.037 -0.226 0.000 0.666 112 A CB 1.083 19.979 19.000 -0.172 0.000 1.281 112 A HN 0.344 nan 8.150 nan 0.000 0.421 113 G N 0.038 108.139 108.800 -1.165 0.000 2.491 113 G HA2 0.406 4.366 3.960 -0.000 0.000 0.183 113 G HA3 0.406 4.366 3.960 -0.000 0.000 0.183 113 G C -1.600 172.800 174.900 -0.834 0.000 1.221 113 G CA 0.163 44.768 45.100 -0.825 0.000 0.996 113 G HN 1.440 nan 8.290 nan 0.000 0.474 114 N N 0.369 118.889 118.700 -0.301 0.000 2.519 114 N HA 0.580 5.320 4.740 -0.000 0.000 0.291 114 N C -0.839 174.817 175.510 0.244 0.000 1.107 114 N CA 0.238 53.298 53.050 0.017 0.000 0.904 114 N CB 1.815 40.292 38.487 -0.016 0.000 1.500 114 N HN 1.115 nan 8.380 nan 0.000 0.510 115 A N 3.197 126.198 122.820 0.301 0.000 2.337 115 A HA 0.474 4.794 4.320 -0.000 0.000 0.329 115 A C 0.796 178.306 177.584 -0.123 0.000 1.146 115 A CA -0.549 51.484 52.037 -0.006 0.000 0.800 115 A CB 1.306 20.000 19.000 -0.510 0.000 1.220 115 A HN 0.675 nan 8.150 nan 0.000 0.472 116 K N 0.558 120.881 120.400 -0.128 0.000 2.098 116 K HA 0.265 4.585 4.320 -0.000 0.000 0.203 116 K C 0.684 177.186 176.600 -0.162 0.000 1.051 116 K CA 1.562 57.789 56.287 -0.101 0.000 0.957 116 K CB 0.049 32.516 32.500 -0.054 0.000 0.738 116 K HN 0.882 nan 8.250 nan 0.000 0.447 117 A N 0.389 123.061 122.820 -0.246 0.000 2.606 117 A HA 0.645 4.965 4.320 -0.000 0.000 0.293 117 A C -1.556 175.829 177.584 -0.331 0.000 1.082 117 A CA -0.746 51.155 52.037 -0.226 0.000 0.685 117 A CB 0.714 19.679 19.000 -0.058 0.000 1.284 117 A HN 0.056 nan 8.150 nan 0.000 0.408 118 F N 1.221 121.251 119.950 0.133 0.000 2.404 118 F HA 0.551 5.078 4.527 -0.000 0.000 0.354 118 F C 0.653 176.603 175.800 0.250 0.000 1.122 118 F CA -0.026 58.068 58.000 0.157 0.000 1.080 118 F CB 2.334 41.436 39.000 0.171 0.000 1.131 118 F HN 0.426 nan 8.300 nan 0.000 0.471 119 T N 2.454 117.213 114.554 0.342 0.000 2.829 119 T HA 0.239 4.589 4.350 -0.000 0.000 0.280 119 T C -0.804 174.080 174.700 0.308 0.000 0.999 119 T CA -0.601 61.672 62.100 0.288 0.000 0.983 119 T CB 1.454 70.420 68.868 0.163 0.000 0.968 119 T HN 0.754 nan 8.240 nan 0.000 0.446 120 C N 3.413 122.921 119.300 0.347 0.000 2.527 120 C HA 0.400 4.860 4.460 -0.000 0.000 0.396 120 C C 2.212 177.327 174.990 0.208 0.000 1.289 120 C CA 0.039 59.234 59.018 0.295 0.000 2.047 120 C CB -0.496 27.461 27.740 0.362 0.000 2.568 120 C HN 1.074 nan 8.230 nan 0.000 0.573 121 S N 4.122 119.915 115.700 0.156 0.000 2.453 121 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 121 S C 1.574 176.243 174.600 0.114 0.000 1.005 121 S CA 1.020 59.286 58.200 0.109 0.000 0.949 121 S CB -0.581 62.654 63.200 0.060 0.000 0.774 121 S HN 0.946 nan 8.310 nan 0.000 0.510 122 Y N 1.454 121.714 120.300 -0.066 0.000 2.114 122 Y HA -0.082 4.468 4.550 -0.000 0.000 0.284 122 Y C 1.755 177.405 175.900 -0.418 0.000 1.119 122 Y CA 1.490 59.423 58.100 -0.278 0.000 1.108 122 Y CB 0.143 38.417 38.460 -0.310 0.000 0.995 122 Y HN 0.434 nan 8.280 nan 0.000 0.491 123 H N -1.628 117.522 119.070 0.133 0.000 2.767 123 H HA 0.268 4.824 4.556 -0.000 0.000 0.260 123 H C 0.861 176.280 175.328 0.152 0.000 1.172 123 H CA 0.378 56.439 56.048 0.022 0.000 1.048 123 H CB 0.972 30.595 29.762 -0.233 0.000 1.697 123 H HN 0.489 nan 8.280 nan 0.000 0.606 124 G N 0.499 109.452 108.800 0.254 0.000 2.179 124 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.257 124 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.257 124 G C -0.463 174.619 174.900 0.304 0.000 1.010 124 G CA -0.214 45.033 45.100 0.245 0.000 0.736 124 G HN 0.252 nan 8.290 nan 0.000 0.513 125 W N 0.833 122.140 121.300 0.011 0.000 2.469 125 W HA 0.613 5.273 4.660 -0.000 0.000 0.321 125 W C 0.676 177.009 176.519 -0.310 0.000 1.415 125 W CA -0.477 56.776 57.345 -0.153 0.000 1.308 125 W CB -0.039 29.348 29.460 -0.121 0.000 1.368 125 W HN 0.615 nan 8.180 nan 0.000 0.546 126 A N 5.036 127.735 122.820 -0.202 0.000 2.304 126 A HA 0.749 5.069 4.320 -0.000 0.000 0.301 126 A C -1.527 175.801 177.584 -0.426 0.000 1.132 126 A CA -0.296 51.634 52.037 -0.178 0.000 0.819 126 A CB 0.487 19.437 19.000 -0.083 0.000 1.094 126 A HN 0.537 nan 8.150 nan 0.000 0.492 127 Y N 0.500 120.874 120.300 0.123 0.000 2.512 127 Y HA 0.409 4.959 4.550 -0.000 0.000 0.348 127 Y C 0.100 176.055 175.900 0.092 0.000 0.990 127 Y CA -1.014 57.143 58.100 0.096 0.000 1.033 127 Y CB 1.769 40.301 38.460 0.121 0.000 1.259 127 Y HN 0.823 nan 8.280 nan 0.000 0.461 128 D N 1.439 121.958 120.400 0.199 0.000 2.387 128 D HA 0.096 4.736 4.640 -0.000 0.000 0.251 128 D C 1.052 177.483 176.300 0.219 0.000 1.141 128 D CA -0.554 53.524 54.000 0.131 0.000 0.987 128 D CB 0.983 41.821 40.800 0.063 0.000 1.116 128 D HN 0.671 nan 8.370 nan 0.000 0.491 129 I N -2.801 117.874 120.570 0.176 0.000 2.850 129 I HA -0.038 4.132 4.170 -0.000 0.000 0.266 129 I C 1.829 178.145 176.117 0.331 0.000 1.257 129 I CA 1.018 62.513 61.300 0.325 0.000 1.465 129 I CB -0.404 37.712 38.000 0.193 0.000 1.091 129 I HN 0.317 nan 8.210 nan 0.000 0.467 130 A N 1.508 124.433 122.820 0.175 0.000 2.066 130 A HA 0.324 4.644 4.320 -0.000 0.000 0.218 130 A C 2.048 179.631 177.584 -0.002 0.000 1.157 130 A CA 0.970 53.076 52.037 0.116 0.000 0.670 130 A CB -0.792 18.244 19.000 0.061 0.000 0.804 130 A HN 0.897 nan 8.150 nan 0.000 0.453 131 G N -1.290 107.395 108.800 -0.192 0.000 2.138 131 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.193 131 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.193 131 G C 0.063 174.707 174.900 -0.426 0.000 0.998 131 G CA 0.303 44.856 45.100 -0.911 0.000 0.668 131 G HN 0.623 nan 8.290 nan 0.000 0.516 132 K N 0.204 120.551 120.400 -0.090 0.000 2.130 132 K HA 0.612 4.932 4.320 -0.000 0.000 0.268 132 K C 0.178 176.878 176.600 0.167 0.000 0.983 132 K CA -1.060 55.242 56.287 0.026 0.000 0.893 132 K CB 0.849 33.348 32.500 -0.002 0.000 1.066 132 K HN 0.129 nan 8.250 nan 0.000 0.450 133 L N 6.463 127.792 121.223 0.177 0.000 2.485 133 L HA 0.015 4.355 4.340 -0.000 0.000 0.279 133 L C 0.554 177.339 176.870 -0.142 0.000 1.124 133 L CA 0.453 55.282 54.840 -0.019 0.000 0.888 133 L CB 0.753 42.816 42.059 0.008 0.000 1.217 133 L HN 0.594 nan 8.230 nan 0.000 0.464 134 V N 1.574 121.381 119.914 -0.178 0.000 3.263 134 V HA 0.373 4.493 4.120 -0.000 0.000 0.248 134 V C 0.676 176.655 176.094 -0.192 0.000 1.145 134 V CA 0.126 62.337 62.300 -0.148 0.000 1.107 134 V CB -0.258 31.514 31.823 -0.086 0.000 0.797 134 V HN 0.816 nan 8.190 nan 0.000 0.467 135 N N 0.024 118.569 118.700 -0.257 0.000 2.336 135 N HA 0.455 5.195 4.740 -0.000 0.000 0.290 135 N C -1.891 173.404 175.510 -0.358 0.000 1.058 135 N CA -0.097 52.804 53.050 -0.249 0.000 0.865 135 N CB 2.944 41.331 38.487 -0.166 0.000 1.581 135 N HN 0.065 nan 8.380 nan 0.000 0.480 136 V N 4.515 124.208 119.914 -0.369 0.000 2.378 136 V HA 0.412 4.532 4.120 -0.000 0.000 0.288 136 V C -2.134 173.848 176.094 -0.187 0.000 1.016 136 V CA -1.707 60.308 62.300 -0.475 0.000 0.840 136 V CB 1.627 33.060 31.823 -0.649 0.000 0.994 136 V HN 0.559 nan 8.190 nan 0.000 0.431 137 P HA 0.174 nan 4.420 nan 0.000 0.264 137 P C -0.081 177.282 177.300 0.105 0.000 1.193 137 P CA 0.236 63.305 63.100 -0.052 0.000 0.763 137 P CB -0.086 31.673 31.700 0.097 0.000 0.810 138 F N 0.055 120.019 119.950 0.023 0.000 3.039 138 F HA -0.224 4.303 4.527 0.000 0.000 0.287 138 F C 1.484 177.324 175.800 0.067 0.000 0.956 138 F CA 0.730 58.745 58.000 0.025 0.000 0.971 138 F CB -1.830 37.174 39.000 0.007 0.000 0.943 138 F HN 0.443 nan 8.300 nan 0.000 0.766 139 E N 0.993 121.287 120.200 0.157 0.000 2.122 139 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 139 E C 2.330 179.050 176.600 0.199 0.000 0.977 139 E CA 1.204 57.731 56.400 0.212 0.000 0.820 139 E CB 0.094 29.826 29.700 0.053 0.000 0.770 139 E HN 0.577 nan 8.360 nan 0.000 0.462 140 K N 0.667 121.134 120.400 0.112 0.000 2.486 140 K HA -0.053 4.267 4.320 -0.000 0.000 0.194 140 K C 1.362 178.018 176.600 0.093 0.000 1.033 140 K CA 1.327 57.667 56.287 0.089 0.000 1.004 140 K CB -0.160 32.367 32.500 0.045 0.000 0.798 140 K HN 0.141 nan 8.250 nan 0.000 0.495 141 E N -1.149 119.122 120.200 0.119 0.000 2.279 141 E HA 0.322 4.672 4.350 -0.000 0.000 0.199 141 E C 2.161 178.764 176.600 0.004 0.000 0.893 141 E CA 0.795 57.245 56.400 0.083 0.000 0.978 141 E CB 0.267 30.058 29.700 0.152 0.000 0.964 141 E HN 0.357 nan 8.360 nan 0.000 0.486 142 A N -0.098 122.713 122.820 -0.015 0.000 2.123 142 A HA 0.236 4.556 4.320 -0.000 0.000 0.214 142 A C 0.183 177.415 177.584 -0.587 0.000 1.152 142 A CA 0.566 52.430 52.037 -0.287 0.000 0.728 142 A CB -0.081 18.725 19.000 -0.323 0.000 0.814 142 A HN 0.121 nan 8.150 nan 0.000 0.464 154 D N 5.424 125.561 120.400 -0.437 0.000 2.344 154 D HA 0.353 4.993 4.640 -0.000 0.000 0.239 154 D C 0.487 176.461 176.300 -0.544 0.000 1.064 154 D CA -0.307 53.444 54.000 -0.415 0.000 0.829 154 D CB 1.825 42.532 40.800 -0.155 0.000 1.129 154 D HN 0.709 nan 8.370 nan 0.000 0.506 155 K N 1.987 122.016 120.400 -0.618 0.000 2.366 155 K HA 0.030 4.350 4.320 -0.000 0.000 0.198 155 K C 1.506 177.990 176.600 -0.193 0.000 1.044 155 K CA 0.481 56.480 56.287 -0.478 0.000 0.973 155 K CB 0.316 32.542 32.500 -0.456 0.000 0.767 155 K HN 0.345 nan 8.250 nan 0.000 0.475 156 A N 1.525 124.244 122.820 -0.169 0.000 2.119 156 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 156 A C 1.544 179.072 177.584 -0.093 0.000 1.153 156 A CA 1.000 52.976 52.037 -0.102 0.000 0.692 156 A CB -0.088 18.855 19.000 -0.094 0.000 0.799 156 A HN 0.273 nan 8.150 nan 0.000 0.458 157 E N -2.422 117.705 120.200 -0.121 0.000 2.400 157 E HA -0.039 4.311 4.350 -0.000 0.000 0.195 157 E C 0.258 176.674 176.600 -0.307 0.000 1.012 157 E CA 0.117 56.388 56.400 -0.216 0.000 0.875 157 E CB 0.034 29.578 29.700 -0.260 0.000 0.859 157 E HN 0.844 nan 8.360 nan 0.000 0.498 158 W N 1.345 122.619 121.300 -0.043 0.000 2.862 158 W HA 0.318 4.978 4.660 0.000 0.000 0.426 158 W C 0.616 177.261 176.519 0.211 0.000 0.950 158 W CA -0.569 56.837 57.345 0.102 0.000 2.150 158 W CB 0.999 30.548 29.460 0.149 0.000 1.161 158 W HN -0.088 nan 8.180 nan 0.000 0.696 159 G N 1.413 110.376 108.800 0.271 0.000 2.451 159 G HA2 0.456 4.416 3.960 -0.000 0.000 0.303 159 G HA3 0.456 4.416 3.960 -0.000 0.000 0.303 159 G C -2.302 172.689 174.900 0.150 0.000 1.166 159 G CA -1.284 43.981 45.100 0.276 0.000 0.884 159 G HN -0.304 nan 8.290 nan 0.000 0.514 160 P HA -0.045 nan 4.420 nan 0.000 0.266 160 P C 0.070 177.427 177.300 0.095 0.000 1.180 160 P CA -0.335 62.802 63.100 0.061 0.000 0.765 160 P CB 0.616 32.341 31.700 0.041 0.000 0.806 161 L N 3.363 124.659 121.223 0.122 0.000 2.499 161 L HA -0.001 4.339 4.340 -0.000 0.000 0.273 161 L C 0.519 177.593 176.870 0.339 0.000 1.195 161 L CA 0.778 55.712 54.840 0.156 0.000 0.882 161 L CB -0.149 41.932 42.059 0.037 0.000 1.133 161 L HN 0.266 nan 8.230 nan 0.000 0.483 162 Q N 4.262 124.227 119.800 0.276 0.000 2.235 162 Q HA 0.626 4.966 4.340 -0.000 0.000 0.250 162 Q C -0.504 175.646 176.000 0.250 0.000 0.909 162 Q CA -0.404 55.551 55.803 0.254 0.000 0.910 162 Q CB 1.612 30.435 28.738 0.140 0.000 1.223 162 Q HN 0.808 nan 8.270 nan 0.000 0.432 163 A N 2.327 125.152 122.820 0.009 0.000 2.311 163 A HA 0.606 4.926 4.320 -0.000 0.000 0.334 163 A C -0.296 177.201 177.584 -0.146 0.000 1.139 163 A CA -0.746 51.133 52.037 -0.263 0.000 0.830 163 A CB 0.846 19.292 19.000 -0.924 0.000 1.234 163 A HN 0.671 nan 8.150 nan 0.000 0.483 164 R N -0.133 120.264 120.500 -0.171 0.000 2.491 164 R HA 0.418 4.758 4.340 -0.000 0.000 0.283 164 R C -1.064 175.277 176.300 0.068 0.000 1.072 164 R CA -0.013 56.062 56.100 -0.042 0.000 1.048 164 R CB 0.577 30.833 30.300 -0.073 0.000 0.983 164 R HN 0.398 nan 8.270 nan 0.000 0.450 165 V N 1.674 121.692 119.914 0.174 0.000 2.444 165 V HA 0.670 4.790 4.120 -0.000 0.000 0.294 165 V C -0.378 175.844 176.094 0.213 0.000 1.022 165 V CA -0.908 61.512 62.300 0.200 0.000 0.850 165 V CB 1.635 33.510 31.823 0.087 0.000 0.992 165 V HN 0.903 nan 8.190 nan 0.000 0.426 166 A N 2.897 125.842 122.820 0.208 0.000 2.381 166 A HA 0.793 5.113 4.320 -0.000 0.000 0.299 166 A C -0.209 177.410 177.584 0.059 0.000 1.049 166 A CA -0.490 51.545 52.037 -0.003 0.000 0.715 166 A CB 1.606 20.365 19.000 -0.403 0.000 1.222 166 A HN 0.651 nan 8.150 nan 0.000 0.428 167 T N 1.818 116.398 114.554 0.044 0.000 2.845 167 T HA 0.399 4.749 4.350 -0.000 0.000 0.288 167 T C -1.011 173.770 174.700 0.135 0.000 0.980 167 T CA 0.461 62.605 62.100 0.073 0.000 1.071 167 T CB 0.254 69.112 68.868 -0.016 0.000 0.941 167 T HN 0.455 nan 8.240 nan 0.000 0.487 168 Y N 3.254 123.610 120.300 0.092 0.000 2.575 168 Y HA 0.291 4.841 4.550 -0.000 0.000 0.326 168 Y C 0.554 176.475 175.900 0.035 0.000 0.979 168 Y CA -0.786 57.345 58.100 0.053 0.000 1.286 168 Y CB 0.107 38.613 38.460 0.076 0.000 1.093 168 Y HN 0.741 nan 8.280 nan 0.000 0.501 169 K N 4.203 124.371 120.400 -0.388 0.000 3.177 169 K HA -0.296 4.024 4.320 -0.000 0.000 0.266 169 K C 0.911 177.419 176.600 -0.155 0.000 0.937 169 K CA 0.991 57.077 56.287 -0.334 0.000 0.702 169 K CB -1.499 30.692 32.500 -0.515 0.000 1.365 169 K HN 1.152 nan 8.250 nan 0.000 0.466 170 G N -0.557 108.140 108.800 -0.172 0.000 2.799 170 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.200 170 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.200 170 G C -0.043 174.619 174.900 -0.397 0.000 1.206 170 G CA -0.260 44.625 45.100 -0.359 0.000 0.827 170 G HN 0.141 nan 8.290 nan 0.000 0.511 171 L N 2.800 123.997 121.223 -0.043 0.000 2.433 171 L HA 0.447 4.787 4.340 -0.000 0.000 0.275 171 L C 0.575 177.389 176.870 -0.093 0.000 1.128 171 L CA -0.521 54.305 54.840 -0.024 0.000 0.875 171 L CB 1.220 43.330 42.059 0.085 0.000 1.171 171 L HN 0.094 nan 8.230 nan 0.000 0.463 172 V N 4.670 124.473 119.914 -0.186 0.000 2.488 172 V HA 0.242 4.362 4.120 -0.000 0.000 0.277 172 V C 0.034 175.987 176.094 -0.234 0.000 1.046 172 V CA 0.023 62.255 62.300 -0.113 0.000 0.986 172 V CB 0.606 32.380 31.823 -0.081 0.000 0.989 172 V HN 0.352 nan 8.190 nan 0.000 0.475 173 F N 2.307 122.304 119.950 0.078 0.000 2.538 173 F HA 0.840 5.367 4.527 -0.000 0.000 0.325 173 F C 0.347 176.310 175.800 0.272 0.000 1.066 173 F CA -0.518 57.586 58.000 0.173 0.000 0.946 173 F CB 2.061 41.156 39.000 0.159 0.000 1.199 173 F HN 0.578 nan 8.300 nan 0.000 0.473 174 A N 2.151 125.226 122.820 0.425 0.000 2.475 174 A HA 0.725 5.045 4.320 -0.000 0.000 0.301 174 A C -1.642 175.775 177.584 -0.278 0.000 1.059 174 A CA -0.624 51.467 52.037 0.091 0.000 0.710 174 A CB 1.858 20.754 19.000 -0.174 0.000 1.288 174 A HN 0.650 nan 8.150 nan 0.000 0.408 175 N N 0.556 118.841 118.700 -0.691 0.000 2.324 175 N HA 0.275 5.015 4.740 -0.000 0.000 0.285 175 N C -0.320 174.800 175.510 -0.650 0.000 1.076 175 N CA -0.554 51.952 53.050 -0.907 0.000 0.864 175 N CB 1.249 38.694 38.487 -1.736 0.000 1.632 175 N HN 0.704 nan 8.380 nan 0.000 0.478 176 W N 0.384 121.536 121.300 -0.248 0.000 2.453 176 W HA 0.075 4.735 4.660 0.000 0.000 0.289 176 W C 0.633 177.068 176.519 -0.140 0.000 1.215 176 W CA -0.047 57.211 57.345 -0.145 0.000 1.297 176 W CB 0.209 29.618 29.460 -0.086 0.000 1.113 176 W HN 0.448 nan 8.180 nan 0.000 0.551 177 D N 0.481 120.910 120.400 0.049 0.000 2.325 177 D HA 0.029 4.669 4.640 -0.000 0.000 0.251 177 D C 1.325 177.585 176.300 -0.067 0.000 1.196 177 D CA -0.037 53.989 54.000 0.044 0.000 0.866 177 D CB 1.647 42.531 40.800 0.139 0.000 1.101 177 D HN 0.018 nan 8.370 nan 0.000 0.476 178 V N 2.288 122.192 119.914 -0.017 0.000 2.913 178 V HA -0.118 4.002 4.120 -0.000 0.000 0.260 178 V C 1.480 177.538 176.094 -0.061 0.000 1.098 178 V CA 1.054 63.332 62.300 -0.038 0.000 1.121 178 V CB -0.306 31.516 31.823 -0.002 0.000 0.714 178 V HN 0.429 nan 8.190 nan 0.000 0.487 179 Q N 0.836 120.611 119.800 -0.042 0.000 2.451 179 Q HA 0.380 4.720 4.340 -0.000 0.000 0.206 179 Q C 1.140 176.907 176.000 -0.389 0.000 0.947 179 Q CA 0.809 56.575 55.803 -0.060 0.000 0.937 179 Q CB 0.202 29.028 28.738 0.147 0.000 1.025 179 Q HN 0.823 nan 8.270 nan 0.000 0.511 180 A N 2.300 124.779 122.820 -0.569 0.000 2.322 180 A HA 0.445 4.765 4.320 -0.000 0.000 0.269 180 A C -2.129 175.111 177.584 -0.573 0.000 1.094 180 A CA -1.176 50.206 52.037 -1.092 0.000 0.807 180 A CB -0.150 18.385 19.000 -0.775 0.000 1.047 180 A HN -0.032 nan 8.150 nan 0.000 0.487 181 P HA 0.074 nan 4.420 nan 0.000 0.269 181 P C -0.626 176.770 177.300 0.160 0.000 1.211 181 P CA 0.049 63.062 63.100 -0.144 0.000 0.781 181 P CB 0.297 31.945 31.700 -0.087 0.000 0.877 182 D N 1.143 121.606 120.400 0.104 0.000 2.357 182 D HA -0.026 4.614 4.640 -0.000 0.000 0.242 182 D C 1.117 177.354 176.300 -0.106 0.000 1.153 182 D CA -0.449 53.611 54.000 0.100 0.000 0.918 182 D CB 0.135 40.934 40.800 -0.002 0.000 1.181 182 D HN 0.116 nan 8.370 nan 0.000 0.435 183 L N 0.335 121.172 121.223 -0.644 0.000 2.043 183 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 183 L C 1.997 178.601 176.870 -0.442 0.000 1.075 183 L CA 1.863 56.062 54.840 -1.068 0.000 0.752 183 L CB -0.662 40.615 42.059 -1.303 0.000 0.891 183 L HN 0.406 nan 8.230 nan 0.000 0.432 184 E N -0.971 119.062 120.200 -0.277 0.000 2.077 184 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 184 E C 2.056 178.607 176.600 -0.082 0.000 0.989 184 E CA 1.904 58.206 56.400 -0.164 0.000 0.800 184 E CB -0.710 28.944 29.700 -0.076 0.000 0.746 184 E HN 0.567 nan 8.360 nan 0.000 0.452 185 T N 0.695 115.226 114.554 -0.037 0.000 2.896 185 T HA -0.119 4.231 4.350 -0.000 0.000 0.263 185 T C 1.700 176.464 174.700 0.107 0.000 1.050 185 T CA 0.837 62.938 62.100 0.001 0.000 1.140 185 T CB -0.440 68.401 68.868 -0.045 0.000 0.877 185 T HN 0.204 nan 8.240 nan 0.000 0.457 186 Y N 2.058 122.391 120.300 0.056 0.000 2.128 186 Y HA -0.122 4.428 4.550 -0.000 0.000 0.284 186 Y C 1.920 178.044 175.900 0.374 0.000 1.154 186 Y CA 1.262 59.568 58.100 0.344 0.000 1.149 186 Y CB -0.482 38.166 38.460 0.312 0.000 0.976 186 Y HN 0.121 nan 8.280 nan 0.000 0.505 187 L N -0.739 120.561 121.223 0.129 0.000 2.141 187 L HA 0.012 4.352 4.340 -0.000 0.000 0.209 187 L C 2.166 179.066 176.870 0.050 0.000 1.094 187 L CA 0.700 55.478 54.840 -0.103 0.000 0.763 187 L CB -1.327 40.527 42.059 -0.343 0.000 0.908 187 L HN 0.541 nan 8.230 nan 0.000 0.437 188 G N 1.619 110.474 108.800 0.092 0.000 2.596 188 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.304 188 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.304 188 G C 0.422 175.404 174.900 0.136 0.000 1.189 188 G CA 0.559 45.744 45.100 0.142 0.000 0.986 188 G HN 0.531 nan 8.290 nan 0.000 0.548 189 D N 1.480 122.021 120.400 0.236 0.000 2.358 189 D HA 0.546 5.186 4.640 -0.000 0.000 0.224 189 D C 1.759 178.263 176.300 0.339 0.000 1.123 189 D CA 1.320 55.479 54.000 0.265 0.000 0.833 189 D CB -0.133 40.863 40.800 0.326 0.000 0.946 189 D HN 0.911 nan 8.370 nan 0.000 0.505 190 A N 0.586 123.602 122.820 0.327 0.000 2.132 190 A HA 0.047 4.367 4.320 -0.000 0.000 0.213 190 A C 2.183 179.830 177.584 0.105 0.000 1.154 190 A CA 0.008 52.234 52.037 0.315 0.000 0.753 190 A CB -0.266 18.932 19.000 0.331 0.000 0.826 190 A HN 0.066 nan 8.150 nan 0.000 0.469 191 R N 0.076 120.576 120.500 -0.000 0.000 2.113 191 R HA -0.164 4.176 4.340 -0.000 0.000 0.244 191 R C -0.756 175.552 176.300 0.014 0.000 1.142 191 R CA 2.032 58.111 56.100 -0.036 0.000 0.953 191 R CB -1.659 28.611 30.300 -0.051 0.000 0.860 191 R HN 0.348 nan 8.270 nan 0.000 0.438 192 P HA -0.202 nan 4.420 nan 0.000 0.218 192 P C 0.619 177.664 177.300 -0.425 0.000 1.154 192 P CA 1.613 64.510 63.100 -0.338 0.000 0.872 192 P CB -0.103 31.230 31.700 -0.611 0.000 0.790 193 Y N -2.606 117.600 120.300 -0.158 0.000 2.517 193 Y HA 0.126 4.676 4.550 -0.000 0.000 0.281 193 Y C 2.408 178.367 175.900 0.098 0.000 1.125 193 Y CA 0.343 58.360 58.100 -0.138 0.000 1.283 193 Y CB -0.751 37.547 38.460 -0.269 0.000 1.042 193 Y HN -0.106 nan 8.280 nan 0.000 0.547 194 M N -0.452 119.317 119.600 0.283 0.000 2.236 194 M HA -0.142 4.338 4.480 -0.000 0.000 0.266 194 M C 1.064 177.497 176.300 0.221 0.000 1.070 194 M CA 1.297 56.805 55.300 0.347 0.000 1.137 194 M CB -0.146 32.664 32.600 0.351 0.000 1.378 194 M HN 0.100 nan 8.290 nan 0.000 0.426 195 D N 0.390 120.888 120.400 0.162 0.000 2.219 195 D HA -0.089 4.551 4.640 -0.000 0.000 0.205 195 D C 2.115 178.426 176.300 0.020 0.000 0.970 195 D CA 0.955 54.999 54.000 0.074 0.000 0.851 195 D CB -0.259 40.563 40.800 0.036 0.000 0.943 195 D HN 0.115 nan 8.370 nan 0.000 0.488 196 V N 0.971 120.901 119.914 0.027 0.000 2.324 196 V HA -0.267 3.853 4.120 -0.000 0.000 0.250 196 V C 2.343 178.535 176.094 0.162 0.000 1.060 196 V CA 1.690 64.016 62.300 0.043 0.000 1.042 196 V CB -0.362 31.511 31.823 0.084 0.000 0.650 196 V HN 0.274 nan 8.190 nan 0.000 0.450 197 M N -1.512 118.220 119.600 0.220 0.000 2.447 197 M HA 0.075 4.555 4.480 -0.000 0.000 0.266 197 M C 1.861 178.223 176.300 0.104 0.000 1.120 197 M CA 1.500 56.948 55.300 0.248 0.000 1.166 197 M CB 0.220 32.922 32.600 0.171 0.000 1.349 197 M HN 0.240 nan 8.290 nan 0.000 0.463 198 L N -0.826 120.424 121.223 0.045 0.000 2.354 198 L HA 0.073 4.413 4.340 -0.000 0.000 0.212 198 L C 0.603 177.460 176.870 -0.022 0.000 1.091 198 L CA 0.335 55.176 54.840 0.002 0.000 0.828 198 L CB 0.175 42.229 42.059 -0.007 0.000 0.973 198 L HN 0.136 nan 8.230 nan 0.000 0.461 199 D N 0.134 120.519 120.400 -0.025 0.000 2.683 199 D HA 0.171 4.811 4.640 -0.000 0.000 0.309 199 D C 0.825 177.086 176.300 -0.064 0.000 1.238 199 D CA -0.009 53.962 54.000 -0.049 0.000 0.936 199 D CB 0.502 41.276 40.800 -0.043 0.000 1.001 199 D HN 0.123 nan 8.370 nan 0.000 0.505 200 R N -0.427 120.038 120.500 -0.059 0.000 2.344 200 R HA 0.141 4.481 4.340 -0.000 0.000 0.209 200 R C 0.515 176.771 176.300 -0.072 0.000 0.886 200 R CA 0.238 56.283 56.100 -0.091 0.000 1.040 200 R CB 0.947 31.189 30.300 -0.096 0.000 1.114 200 R HN 0.254 nan 8.270 nan 0.000 0.547 201 T N -2.524 112.004 114.554 -0.043 0.000 2.868 201 T HA 0.268 4.618 4.350 -0.000 0.000 0.306 201 T C -2.415 172.267 174.700 -0.030 0.000 1.224 201 T CA -1.585 60.495 62.100 -0.033 0.000 1.012 201 T CB 2.528 71.389 68.868 -0.012 0.000 1.221 201 T HN -0.273 nan 8.240 nan 0.000 0.499 202 P HA 0.010 nan 4.420 nan 0.000 0.220 202 P C 1.514 178.800 177.300 -0.023 0.000 1.148 202 P CA 1.006 64.089 63.100 -0.028 0.000 0.803 202 P CB -0.345 31.340 31.700 -0.025 0.000 0.782 203 A N -0.136 122.675 122.820 -0.015 0.000 2.067 203 A HA 0.291 4.611 4.320 -0.000 0.000 0.219 203 A C 1.330 178.909 177.584 -0.007 0.000 1.158 203 A CA 1.213 53.245 52.037 -0.010 0.000 0.661 203 A CB -1.410 17.588 19.000 -0.003 0.000 0.801 203 A HN 0.433 nan 8.150 nan 0.000 0.452 204 G N -1.607 107.187 108.800 -0.010 0.000 2.782 204 G HA2 0.031 3.991 3.960 -0.000 0.000 0.228 204 G HA3 0.031 3.991 3.960 -0.000 0.000 0.228 204 G C 0.055 174.961 174.900 0.010 0.000 1.372 204 G CA -0.002 45.097 45.100 -0.002 0.000 0.862 204 G HN 1.500 nan 8.290 nan 0.000 0.547 205 T N -2.802 111.774 114.554 0.036 0.000 2.928 205 T HA 0.716 5.066 4.350 -0.000 0.000 0.284 205 T C -0.016 174.642 174.700 -0.069 0.000 1.008 205 T CA -0.070 62.019 62.100 -0.018 0.000 1.057 205 T CB 2.114 70.959 68.868 -0.038 0.000 1.018 205 T HN 2.017 nan 8.240 nan 0.000 0.493 206 V N 0.851 120.649 119.914 -0.193 0.000 2.735 206 V HA 0.757 4.877 4.120 -0.000 0.000 0.310 206 V C -0.242 175.623 176.094 -0.380 0.000 1.061 206 V CA -0.979 61.155 62.300 -0.276 0.000 0.913 206 V CB 1.486 33.239 31.823 -0.118 0.000 1.005 206 V HN 1.391 nan 8.190 nan 0.000 0.428 207 A N 6.771 129.290 122.820 -0.501 0.000 2.362 207 A HA 0.621 4.941 4.320 -0.000 0.000 0.276 207 A C -0.010 177.482 177.584 -0.154 0.000 1.153 207 A CA -0.361 51.486 52.037 -0.317 0.000 0.813 207 A CB -0.102 18.593 19.000 -0.508 0.000 1.081 207 A HN 0.857 nan 8.150 nan 0.000 0.507 208 I N 2.673 123.217 120.570 -0.043 0.000 2.741 208 I HA 0.047 4.217 4.170 -0.000 0.000 0.288 208 I C 1.560 177.708 176.117 0.051 0.000 1.192 208 I CA 0.506 61.811 61.300 0.010 0.000 1.426 208 I CB 0.327 38.356 38.000 0.048 0.000 1.367 208 I HN 0.785 nan 8.210 nan 0.000 0.563 209 G N 4.423 113.244 108.800 0.035 0.000 2.474 209 G HA2 0.385 4.345 3.960 -0.000 0.000 0.233 209 G HA3 0.385 4.345 3.960 -0.000 0.000 0.233 209 G C 0.348 175.305 174.900 0.095 0.000 1.278 209 G CA 0.302 45.439 45.100 0.063 0.000 0.861 209 G HN 1.237 nan 8.290 nan 0.000 0.567 210 G N 0.234 109.097 108.800 0.105 0.000 3.421 210 G HA2 0.177 4.137 3.960 -0.000 0.000 0.686 210 G HA3 0.177 4.137 3.960 -0.000 0.000 0.686 210 G C -0.493 174.486 174.900 0.132 0.000 1.056 210 G CA 0.016 45.168 45.100 0.086 0.000 0.891 210 G HN 1.095 nan 8.290 nan 0.000 0.514 211 M N 2.408 122.047 119.600 0.065 0.000 2.181 211 M HA 0.521 5.001 4.480 -0.000 0.000 0.323 211 M C 0.344 176.656 176.300 0.020 0.000 1.004 211 M CA -0.697 54.650 55.300 0.077 0.000 0.941 211 M CB 1.044 33.621 32.600 -0.038 0.000 1.579 211 M HN 0.643 nan 8.290 nan 0.000 0.427 212 Q N 3.797 123.679 119.800 0.137 0.000 2.299 212 Q HA 0.441 4.781 4.340 -0.000 0.000 0.246 212 Q C -1.181 174.901 176.000 0.137 0.000 0.935 212 Q CA 0.007 55.937 55.803 0.210 0.000 0.887 212 Q CB 1.286 30.290 28.738 0.442 0.000 1.223 212 Q HN 0.519 nan 8.270 nan 0.000 0.439 213 K N 1.751 122.250 120.400 0.165 0.000 2.513 213 K HA 0.585 4.905 4.320 -0.000 0.000 0.251 213 K C -1.625 175.197 176.600 0.370 0.000 0.939 213 K CA -0.698 55.579 56.287 -0.017 0.000 0.793 213 K CB 1.699 33.903 32.500 -0.494 0.000 1.241 213 K HN 0.685 nan 8.250 nan 0.000 0.431 214 W N -0.458 120.923 121.300 0.135 0.000 3.146 214 W HA 0.580 5.240 4.660 -0.000 0.000 0.319 214 W C -2.004 174.646 176.519 0.218 0.000 1.258 214 W CA -1.035 56.404 57.345 0.157 0.000 1.189 214 W CB 0.398 29.942 29.460 0.139 0.000 1.412 214 W HN 0.123 nan 8.180 nan 0.000 0.567 215 V N 3.380 123.514 119.914 0.366 0.000 2.398 215 V HA 0.503 4.623 4.120 -0.000 0.000 0.286 215 V C -0.115 176.150 176.094 0.285 0.000 1.026 215 V CA -0.844 61.603 62.300 0.246 0.000 0.868 215 V CB 1.107 33.044 31.823 0.191 0.000 0.982 215 V HN 0.524 nan 8.190 nan 0.000 0.443 216 I N 6.786 127.504 120.570 0.247 0.000 2.418 216 I HA 0.366 4.536 4.170 -0.000 0.000 0.287 216 I C -2.202 174.030 176.117 0.190 0.000 1.008 216 I CA -2.042 59.422 61.300 0.274 0.000 1.104 216 I CB 2.748 40.985 38.000 0.395 0.000 1.264 216 I HN 0.425 nan 8.210 nan 0.000 0.438 217 P HA 0.039 nan 4.420 nan 0.000 0.235 217 P C -0.451 176.910 177.300 0.100 0.000 1.720 217 P CA 0.017 63.181 63.100 0.106 0.000 1.003 217 P CB -0.511 31.239 31.700 0.084 0.000 1.968 218 C N -0.445 118.921 119.300 0.110 0.000 3.236 218 C HA 0.523 4.983 4.460 -0.000 0.000 0.312 218 C C -0.014 175.033 174.990 0.095 0.000 1.374 218 C CA -1.258 57.813 59.018 0.088 0.000 1.455 218 C CB 1.242 29.015 27.740 0.055 0.000 1.834 218 C HN 0.277 nan 8.230 nan 0.000 0.460 219 N N 1.245 120.048 118.700 0.172 0.000 2.508 219 N HA 0.081 4.821 4.740 -0.000 0.000 0.264 219 N C 1.140 176.598 175.510 -0.086 0.000 1.216 219 N CA 0.200 53.292 53.050 0.071 0.000 0.943 219 N CB 0.724 39.209 38.487 -0.003 0.000 1.113 219 N HN 1.008 nan 8.380 nan 0.000 0.447 220 W N 4.544 125.783 121.300 -0.102 0.000 2.402 220 W HA -0.064 4.596 4.660 -0.000 0.000 0.286 220 W C 0.923 177.219 176.519 -0.371 0.000 1.221 220 W CA 0.336 57.547 57.345 -0.224 0.000 1.257 220 W CB -0.507 28.951 29.460 -0.005 0.000 1.120 220 W HN 0.510 nan 8.180 nan 0.000 0.551 221 K N 0.491 120.145 120.400 -1.243 0.000 2.103 221 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 221 K C 1.901 178.091 176.600 -0.683 0.000 1.048 221 K CA 1.993 57.572 56.287 -1.181 0.000 0.930 221 K CB -0.760 30.983 32.500 -1.262 0.000 0.716 221 K HN 0.132 nan 8.250 nan 0.000 0.444 222 F N 0.968 120.590 119.950 -0.547 0.000 2.171 222 F HA -0.207 4.320 4.527 -0.000 0.000 0.300 222 F C 2.598 177.875 175.800 -0.873 0.000 1.090 222 F CA 0.915 58.514 58.000 -0.669 0.000 1.293 222 F CB -0.340 38.103 39.000 -0.929 0.000 1.013 222 F HN 0.050 nan 8.300 nan 0.000 0.486 223 A N 0.197 122.374 122.820 -1.072 0.000 1.854 223 A HA -0.014 4.306 4.320 -0.000 0.000 0.214 223 A C 2.374 179.509 177.584 -0.748 0.000 1.192 223 A CA 1.488 52.698 52.037 -1.379 0.000 0.611 223 A CB -1.315 16.265 19.000 -2.366 0.000 0.832 223 A HN 0.281 nan 8.150 nan 0.000 0.442 224 A N -0.596 121.813 122.820 -0.685 0.000 1.978 224 A HA -0.196 4.123 4.320 -0.000 0.000 0.220 224 A C 2.049 179.615 177.584 -0.030 0.000 1.170 224 A CA 1.803 53.750 52.037 -0.150 0.000 0.636 224 A CB -0.478 18.555 19.000 0.055 0.000 0.810 224 A HN 0.639 nan 8.150 nan 0.000 0.448 225 E N -0.559 119.541 120.200 -0.166 0.000 2.152 225 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 225 E C 2.181 178.781 176.600 0.000 0.000 0.983 225 E CA 1.127 57.451 56.400 -0.125 0.000 0.818 225 E CB -0.135 29.475 29.700 -0.150 0.000 0.758 225 E HN 0.815 nan 8.360 nan 0.000 0.467 226 Q N -0.512 119.322 119.800 0.057 0.000 2.050 226 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 226 Q C 1.662 177.663 176.000 0.001 0.000 0.980 226 Q CA 1.516 57.356 55.803 0.063 0.000 0.840 226 Q CB -0.113 28.752 28.738 0.211 0.000 0.898 226 Q HN 0.234 nan 8.270 nan 0.000 0.424 227 F N -0.611 119.353 119.950 0.022 0.000 2.615 227 F HA -0.032 4.495 4.527 0.000 0.000 0.297 227 F C 2.345 178.217 175.800 0.120 0.000 1.124 227 F CA 0.258 58.300 58.000 0.069 0.000 1.451 227 F CB -0.427 38.726 39.000 0.255 0.000 1.103 227 F HN 0.315 nan 8.300 nan 0.000 0.569 228 C N -1.610 117.836 119.300 0.243 0.000 2.486 228 C HA 0.004 4.464 4.460 -0.000 0.000 0.279 228 C C 2.648 177.773 174.990 0.224 0.000 1.302 228 C CA 1.633 60.776 59.018 0.209 0.000 1.720 228 C CB -0.699 27.103 27.740 0.104 0.000 2.030 228 C HN 0.434 nan 8.230 nan 0.000 0.490 229 S N -1.880 113.877 115.700 0.095 0.000 2.615 229 S HA 0.155 4.625 4.470 -0.000 0.000 0.277 229 S C -0.295 174.323 174.600 0.029 0.000 1.068 229 S CA -0.032 58.236 58.200 0.112 0.000 1.315 229 S CB -0.278 62.942 63.200 0.034 0.000 1.193 229 S HN 0.567 nan 8.310 nan 0.000 0.656 230 D N 1.950 122.245 120.400 -0.174 0.000 2.638 230 D HA 0.290 4.930 4.640 -0.000 0.000 0.245 230 D C 0.668 176.997 176.300 0.048 0.000 1.176 230 D CA -0.201 53.792 54.000 -0.011 0.000 0.996 230 D CB 0.730 41.527 40.800 -0.005 0.000 1.012 230 D HN 0.267 nan 8.370 nan 0.000 0.515 231 M N 1.970 121.662 119.600 0.153 0.000 2.419 231 M HA 0.002 4.482 4.480 -0.000 0.000 0.264 231 M C 1.346 177.871 176.300 0.375 0.000 1.082 231 M CA 0.964 56.400 55.300 0.225 0.000 1.119 231 M CB -0.344 32.294 32.600 0.064 0.000 1.398 231 M HN 0.440 nan 8.290 nan 0.000 0.453 232 Y N 0.307 120.749 120.300 0.236 0.000 2.114 232 Y HA -0.426 4.124 4.550 -0.000 0.000 0.282 232 Y C 2.693 178.601 175.900 0.013 0.000 1.165 232 Y CA 2.125 60.247 58.100 0.038 0.000 1.148 232 Y CB -0.297 38.174 38.460 0.018 0.000 0.972 232 Y HN 0.564 nan 8.280 nan 0.000 0.504 233 H N -0.813 118.245 119.070 -0.019 0.000 2.357 233 H HA -0.085 4.471 4.556 -0.000 0.000 0.301 233 H C 2.098 177.408 175.328 -0.030 0.000 1.082 233 H CA 1.350 57.325 56.048 -0.121 0.000 1.342 233 H CB -0.984 28.735 29.762 -0.072 0.000 1.389 233 H HN 0.398 nan 8.280 nan 0.000 0.511 234 A N 1.100 123.568 122.820 -0.586 0.000 1.969 234 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 234 A C 2.750 180.363 177.584 0.048 0.000 1.169 234 A CA 1.300 53.216 52.037 -0.202 0.000 0.635 234 A CB -1.114 17.857 19.000 -0.048 0.000 0.810 234 A HN 0.616 nan 8.150 nan 0.000 0.445 235 G N -1.265 107.611 108.800 0.125 0.000 2.712 235 G HA2 0.156 4.116 3.960 -0.000 0.000 0.212 235 G HA3 0.156 4.116 3.960 -0.000 0.000 0.212 235 G C 1.291 176.154 174.900 -0.062 0.000 1.142 235 G CA 1.568 46.785 45.100 0.196 0.000 0.789 235 G HN 0.629 nan 8.290 nan 0.000 0.535 236 T N -1.726 112.703 114.554 -0.208 0.000 3.074 236 T HA 0.151 4.501 4.350 -0.000 0.000 0.182 236 T C 2.118 176.702 174.700 -0.192 0.000 0.747 236 T CA 1.779 63.717 62.100 -0.270 0.000 1.884 236 T CB -0.150 68.425 68.868 -0.489 0.000 2.388 236 T HN 0.102 nan 8.240 nan 0.000 0.421 237 T N -1.985 112.439 114.554 -0.217 0.000 2.964 237 T HA 0.177 4.527 4.350 -0.000 0.000 0.249 237 T C 2.061 176.633 174.700 -0.213 0.000 1.000 237 T CA 0.622 62.611 62.100 -0.184 0.000 0.992 237 T CB -0.860 67.907 68.868 -0.168 0.000 1.087 237 T HN 0.358 nan 8.240 nan 0.000 0.489 238 T N 1.723 116.116 114.554 -0.268 0.000 2.699 238 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 238 T C 1.069 175.461 174.700 -0.514 0.000 1.036 238 T CA 1.481 63.338 62.100 -0.405 0.000 1.147 238 T CB -0.358 68.242 68.868 -0.447 0.000 0.862 238 T HN 0.511 nan 8.240 nan 0.000 0.446 239 H N -0.052 118.873 119.070 -0.242 0.000 2.486 239 H HA 0.387 4.943 4.556 -0.000 0.000 0.284 239 H C 1.596 176.699 175.328 -0.375 0.000 1.103 239 H CA -0.253 55.558 56.048 -0.395 0.000 1.089 239 H CB -0.132 29.309 29.762 -0.534 0.000 1.603 239 H HN 0.282 nan 8.280 nan 0.000 0.557 240 L N 0.650 121.773 121.223 -0.167 0.000 2.079 240 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 240 L C 2.429 179.212 176.870 -0.145 0.000 1.081 240 L CA 1.799 56.558 54.840 -0.135 0.000 0.752 240 L CB -0.195 41.797 42.059 -0.112 0.000 0.896 240 L HN 0.264 nan 8.230 nan 0.000 0.433 241 S N -0.989 114.614 115.700 -0.161 0.000 2.470 241 S HA -0.017 4.453 4.470 -0.000 0.000 0.225 241 S C 1.970 176.465 174.600 -0.174 0.000 1.006 241 S CA 0.538 58.654 58.200 -0.141 0.000 0.934 241 S CB -0.365 62.764 63.200 -0.119 0.000 0.778 241 S HN 0.389 nan 8.310 nan 0.000 0.517 242 G N 1.671 110.291 108.800 -0.300 0.000 2.448 242 G HA2 0.095 4.055 3.960 -0.000 0.000 0.218 242 G HA3 0.095 4.055 3.960 -0.000 0.000 0.218 242 G C 1.308 176.038 174.900 -0.282 0.000 1.135 242 G CA 0.569 45.421 45.100 -0.414 0.000 0.784 242 G HN 0.567 nan 8.290 nan 0.000 0.543 243 I N -0.112 120.308 120.570 -0.249 0.000 2.406 243 I HA -0.004 4.166 4.170 -0.000 0.000 0.249 243 I C 2.343 178.433 176.117 -0.045 0.000 1.122 243 I CA 0.271 61.528 61.300 -0.073 0.000 1.431 243 I CB -0.034 37.934 38.000 -0.053 0.000 1.087 243 I HN 0.100 nan 8.210 nan 0.000 0.424 244 L N 0.832 122.012 121.223 -0.071 0.000 2.362 244 L HA -0.056 4.284 4.340 -0.000 0.000 0.219 244 L C 2.264 179.110 176.870 -0.041 0.000 1.134 244 L CA 1.466 56.276 54.840 -0.051 0.000 0.807 244 L CB -0.502 41.521 42.059 -0.060 0.000 0.927 244 L HN 0.179 nan 8.230 nan 0.000 0.447 245 A N -1.595 121.199 122.820 -0.044 0.000 2.044 245 A HA 0.281 4.601 4.320 -0.000 0.000 0.213 245 A C 2.119 179.700 177.584 -0.004 0.000 1.169 245 A CA 0.731 52.749 52.037 -0.031 0.000 0.724 245 A CB -0.605 18.370 19.000 -0.042 0.000 0.840 245 A HN 0.413 nan 8.150 nan 0.000 0.463 246 G N -0.033 108.780 108.800 0.022 0.000 2.921 246 G HA2 0.339 4.299 3.960 -0.000 0.000 0.213 246 G HA3 0.339 4.299 3.960 -0.000 0.000 0.213 246 G C 0.739 175.663 174.900 0.041 0.000 1.143 246 G CA 0.343 45.474 45.100 0.052 0.000 0.764 246 G HN 0.603 nan 8.290 nan 0.000 0.542 247 I N -0.509 120.075 120.570 0.022 0.000 2.882 247 I HA 0.375 4.545 4.170 -0.000 0.000 0.286 247 I C -1.976 174.147 176.117 0.010 0.000 1.139 247 I CA -2.163 59.145 61.300 0.014 0.000 1.379 247 I CB 0.264 38.267 38.000 0.005 0.000 1.410 247 I HN -0.204 nan 8.210 nan 0.000 0.594 248 P HA 0.066 nan 4.420 nan 0.000 0.263 248 P C -2.167 175.133 177.300 0.000 0.000 1.175 248 P CA -0.820 62.283 63.100 0.006 0.000 0.761 248 P CB -0.233 31.470 31.700 0.006 0.000 0.794 249 P HA -0.204 nan 4.420 nan 0.000 0.217 249 P C 1.106 178.402 177.300 -0.007 0.000 1.151 249 P CA 1.662 64.758 63.100 -0.006 0.000 0.849 249 P CB 0.062 31.758 31.700 -0.007 0.000 0.787 250 E N -1.460 118.737 120.200 -0.004 0.000 2.216 250 E HA -0.006 4.344 4.350 -0.000 0.000 0.192 250 E C 1.232 177.829 176.600 -0.005 0.000 0.988 250 E CA 0.359 56.757 56.400 -0.004 0.000 0.834 250 E CB -0.476 29.223 29.700 -0.002 0.000 0.772 250 E HN 0.295 nan 8.360 nan 0.000 0.479 251 M N 1.905 121.502 119.600 -0.004 0.000 2.274 251 M HA 0.109 4.589 4.480 -0.000 0.000 0.344 251 M C -1.007 175.287 176.300 -0.008 0.000 1.161 251 M CA -0.375 54.922 55.300 -0.005 0.000 1.126 251 M CB 0.832 33.431 32.600 -0.002 0.000 1.522 251 M HN -0.043 nan 8.290 nan 0.000 0.461 252 D N 3.527 123.921 120.400 -0.010 0.000 2.450 252 D HA 0.204 4.844 4.640 -0.000 0.000 0.238 252 D C 0.671 176.962 176.300 -0.015 0.000 1.020 252 D CA -0.658 53.333 54.000 -0.015 0.000 1.010 252 D CB 1.087 41.878 40.800 -0.016 0.000 1.342 252 D HN 0.732 nan 8.370 nan 0.000 0.530 253 L N 0.401 121.611 121.223 -0.021 0.000 2.137 253 L HA -0.284 4.056 4.340 -0.000 0.000 0.213 253 L C 2.525 179.384 176.870 -0.017 0.000 1.085 253 L CA 2.063 56.890 54.840 -0.023 0.000 0.760 253 L CB -0.480 41.559 42.059 -0.032 0.000 0.893 253 L HN 0.523 nan 8.230 nan 0.000 0.434 254 S N -1.289 114.402 115.700 -0.015 0.000 2.402 254 S HA -0.227 4.243 4.470 -0.000 0.000 0.229 254 S C 1.738 176.334 174.600 -0.007 0.000 1.021 254 S CA 0.835 59.028 58.200 -0.011 0.000 0.974 254 S CB -0.202 62.992 63.200 -0.011 0.000 0.800 254 S HN 0.399 nan 8.310 nan 0.000 0.484 255 Q N 1.124 120.920 119.800 -0.006 0.000 2.360 255 Q HA 0.504 4.844 4.340 -0.000 0.000 0.202 255 Q C 0.390 176.388 176.000 -0.003 0.000 0.915 255 Q CA 0.481 56.282 55.803 -0.003 0.000 0.943 255 Q CB 0.288 29.024 28.738 -0.003 0.000 1.064 255 Q HN 0.682 nan 8.270 nan 0.000 0.511 256 A N 1.060 123.877 122.820 -0.006 0.000 2.415 256 A HA 0.292 4.612 4.320 -0.000 0.000 0.309 256 A C -0.211 177.369 177.584 -0.008 0.000 1.356 256 A CA -0.482 51.551 52.037 -0.007 0.000 0.998 256 A CB 0.070 19.064 19.000 -0.009 0.000 1.145 256 A HN 0.141 nan 8.150 nan 0.000 0.545 257 Q N 1.610 121.405 119.800 -0.009 0.000 2.342 257 Q HA 0.059 4.399 4.340 -0.000 0.000 0.330 257 Q C -0.704 175.283 176.000 -0.022 0.000 1.117 257 Q CA 1.256 57.052 55.803 -0.012 0.000 1.010 257 Q CB -0.082 28.645 28.738 -0.017 0.000 1.204 257 Q HN 0.626 nan 8.270 nan 0.000 0.400 258 I N 6.539 127.104 120.570 -0.009 0.000 2.412 258 I HA 0.331 4.501 4.170 -0.000 0.000 0.279 258 I C -2.032 174.080 176.117 -0.008 0.000 1.063 258 I CA -2.239 59.062 61.300 0.002 0.000 1.193 258 I CB 0.935 38.959 38.000 0.040 0.000 1.370 258 I HN 0.545 nan 8.210 nan 0.000 0.479 259 P HA 0.047 nan 4.420 nan 0.000 0.265 259 P C 0.774 178.086 177.300 0.021 0.000 1.187 259 P CA 0.168 63.125 63.100 -0.237 0.000 0.766 259 P CB 0.652 31.830 31.700 -0.869 0.000 0.820 260 T N -1.770 112.859 114.554 0.125 0.000 2.993 260 T HA 0.181 4.531 4.350 -0.000 0.000 0.260 260 T C 0.382 175.228 174.700 0.242 0.000 0.939 260 T CA -0.202 62.056 62.100 0.264 0.000 0.886 260 T CB 0.095 69.133 68.868 0.284 0.000 1.209 260 T HN 0.131 nan 8.240 nan 0.000 0.518 261 K N 1.642 122.165 120.400 0.206 0.000 2.258 261 K HA 0.649 4.969 4.320 -0.000 0.000 0.284 261 K C 0.042 176.760 176.600 0.197 0.000 1.051 261 K CA -0.217 56.197 56.287 0.211 0.000 0.923 261 K CB 1.289 33.890 32.500 0.168 0.000 1.046 261 K HN 0.501 nan 8.250 nan 0.000 0.474 262 G N 1.982 110.837 108.800 0.092 0.000 2.322 262 G HA2 0.137 4.097 3.960 -0.000 0.000 0.295 262 G HA3 0.137 4.097 3.960 -0.000 0.000 0.295 262 G C -1.701 173.007 174.900 -0.320 0.000 1.369 262 G CA -0.765 44.248 45.100 -0.145 0.000 0.821 262 G HN 0.515 nan 8.290 nan 0.000 0.536 263 N N -0.508 117.719 118.700 -0.788 0.000 2.571 263 N HA 0.522 5.262 4.740 -0.000 0.000 0.273 263 N C -1.347 173.404 175.510 -1.264 0.000 1.340 263 N CA -0.589 51.961 53.050 -0.832 0.000 0.789 263 N CB 2.635 40.739 38.487 -0.638 0.000 1.514 263 N HN 0.632 nan 8.380 nan 0.000 0.499 264 Q N 0.872 120.182 119.800 -0.818 0.000 2.347 264 Q HA 0.414 4.754 4.340 -0.000 0.000 0.271 264 Q C -1.772 174.014 176.000 -0.358 0.000 1.064 264 Q CA -0.613 54.801 55.803 -0.648 0.000 0.800 264 Q CB 1.998 30.514 28.738 -0.370 0.000 1.304 264 Q HN 0.539 nan 8.270 nan 0.000 0.438 265 F N 3.476 123.191 119.950 -0.393 0.000 2.458 265 F HA 0.549 5.076 4.527 -0.000 0.000 0.336 265 F C -1.111 174.616 175.800 -0.120 0.000 1.114 265 F CA -0.749 57.128 58.000 -0.205 0.000 0.987 265 F CB 1.188 39.992 39.000 -0.326 0.000 1.130 265 F HN 0.494 nan 8.300 nan 0.000 0.458 266 R N 5.464 125.453 120.500 -0.852 0.000 2.393 266 R HA 0.726 5.066 4.340 -0.000 0.000 0.315 266 R C -0.883 174.756 176.300 -1.102 0.000 0.952 266 R CA -0.751 54.864 56.100 -0.807 0.000 0.842 266 R CB 1.203 31.282 30.300 -0.367 0.000 1.163 266 R HN 0.929 nan 8.270 nan 0.000 0.450 267 A N 3.316 125.544 122.820 -0.987 0.000 2.531 267 A HA 0.273 4.593 4.320 -0.000 0.000 0.236 267 A C 1.246 178.722 177.584 -0.180 0.000 1.062 267 A CA 0.595 52.385 52.037 -0.412 0.000 0.760 267 A CB 0.443 19.432 19.000 -0.018 0.000 0.995 267 A HN 1.024 nan 8.150 nan 0.000 0.501 268 A N 1.629 124.465 122.820 0.027 0.000 1.902 268 A HA 0.105 4.425 4.320 -0.000 0.000 0.217 268 A C 0.628 178.293 177.584 0.135 0.000 1.181 268 A CA 1.533 53.620 52.037 0.083 0.000 0.623 268 A CB -0.219 18.872 19.000 0.152 0.000 0.818 268 A HN 1.221 nan 8.150 nan 0.000 0.443 269 W N -3.050 118.198 121.300 -0.086 0.000 3.256 269 W HA 0.460 5.119 4.660 -0.000 0.000 0.324 269 W C 0.400 176.676 176.519 -0.404 0.000 1.196 269 W CA 0.177 57.420 57.345 -0.170 0.000 1.206 269 W CB 1.321 30.747 29.460 -0.056 0.000 1.385 269 W HN 0.727 nan 8.180 nan 0.000 0.522 270 G N 1.792 109.577 108.800 -1.691 0.000 2.296 270 G HA2 0.201 4.161 3.960 -0.000 0.000 0.188 270 G HA3 0.201 4.161 3.960 -0.000 0.000 0.188 270 G C 0.950 174.375 174.900 -2.459 0.000 1.000 270 G CA 0.495 44.162 45.100 -2.389 0.000 0.672 270 G HN 2.129 nan 8.290 nan 0.000 0.483 271 G N -0.309 107.514 108.800 -1.627 0.000 2.176 271 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.253 271 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.253 271 G C 0.383 174.975 174.900 -0.512 0.000 0.979 271 G CA 0.918 45.420 45.100 -0.998 0.000 0.641 271 G HN 1.285 nan 8.290 nan 0.000 0.530 272 H N 0.554 119.473 119.070 -0.251 0.000 2.660 272 H HA 0.579 5.135 4.556 -0.000 0.000 0.374 272 H C 0.876 176.146 175.328 -0.097 0.000 1.291 272 H CA 0.735 56.755 56.048 -0.048 0.000 1.437 272 H CB 1.035 30.820 29.762 0.040 0.000 1.509 272 H HN 0.986 nan 8.280 nan 0.000 0.614 273 G N -1.201 107.695 108.800 0.160 0.000 2.547 273 G HA2 0.413 4.373 3.960 -0.000 0.000 0.291 273 G HA3 0.413 4.373 3.960 -0.000 0.000 0.291 273 G C -1.384 173.641 174.900 0.209 0.000 1.471 273 G CA -0.285 44.852 45.100 0.061 0.000 0.798 273 G HN 0.656 nan 8.290 nan 0.000 0.504 274 S N -1.571 114.251 115.700 0.204 0.000 2.547 274 S HA 0.880 5.350 4.470 -0.000 0.000 0.270 274 S C -0.447 174.100 174.600 -0.088 0.000 1.150 274 S CA 0.241 58.502 58.200 0.101 0.000 0.850 274 S CB 1.690 64.941 63.200 0.085 0.000 1.118 274 S HN 2.093 nan 8.310 nan 0.000 0.461 275 G N 1.596 110.084 108.800 -0.519 0.000 2.706 275 G HA2 0.726 4.686 3.960 -0.000 0.000 0.297 275 G HA3 0.726 4.686 3.960 -0.000 0.000 0.297 275 G C -1.735 172.868 174.900 -0.496 0.000 1.403 275 G CA -0.587 44.064 45.100 -0.748 0.000 0.954 275 G HN 0.982 nan 8.290 nan 0.000 0.500 276 W N 0.653 121.642 121.300 -0.518 0.000 3.213 276 W HA 0.736 5.396 4.660 -0.000 0.000 0.318 276 W C -1.656 174.675 176.519 -0.312 0.000 1.248 276 W CA -1.946 55.182 57.345 -0.361 0.000 1.187 276 W CB 0.926 30.244 29.460 -0.236 0.000 1.403 276 W HN 0.531 nan 8.180 nan 0.000 0.556 277 Y N 1.038 121.385 120.300 0.078 0.000 2.316 277 Y HA 0.561 5.111 4.550 -0.000 0.000 0.324 277 Y C 0.107 176.115 175.900 0.180 0.000 1.267 277 Y CA -0.903 57.219 58.100 0.036 0.000 1.311 277 Y CB 1.574 40.069 38.460 0.057 0.000 1.267 277 Y HN 0.255 nan 8.280 nan 0.000 0.516 278 V N 2.968 123.090 119.914 0.346 0.000 2.531 278 V HA 0.204 4.324 4.120 -0.000 0.000 0.301 278 V C -0.353 175.883 176.094 0.236 0.000 1.034 278 V CA -0.520 61.975 62.300 0.325 0.000 0.865 278 V CB 1.446 33.478 31.823 0.349 0.000 0.995 278 V HN 1.030 nan 8.190 nan 0.000 0.424 279 D N 2.465 122.994 120.400 0.215 0.000 2.734 279 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 279 D C 0.587 176.953 176.300 0.110 0.000 1.459 279 D CA 1.700 55.791 54.000 0.151 0.000 1.925 279 D CB -0.274 40.605 40.800 0.132 0.000 1.370 279 D HN 0.720 nan 8.370 nan 0.000 0.511 280 E N 2.282 122.533 120.200 0.085 0.000 2.265 280 E HA 0.154 4.504 4.350 -0.000 0.000 0.272 280 E C -1.336 175.277 176.600 0.021 0.000 1.067 280 E CA -0.744 55.669 56.400 0.021 0.000 0.900 280 E CB 0.984 30.647 29.700 -0.062 0.000 1.017 280 E HN 0.222 nan 8.360 nan 0.000 0.431 281 P HA -0.094 nan 4.420 nan 0.000 0.225 281 P C 1.284 178.588 177.300 0.006 0.000 1.156 281 P CA 0.692 63.813 63.100 0.035 0.000 0.787 281 P CB 0.299 32.021 31.700 0.037 0.000 0.802 282 G N 2.058 110.842 108.800 -0.026 0.000 2.855 282 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.227 282 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.227 282 G C 1.799 176.691 174.900 -0.013 0.000 1.245 282 G CA 2.862 47.940 45.100 -0.037 0.000 0.781 282 G HN 0.441 nan 8.290 nan 0.000 0.666 283 S N 0.681 116.362 115.700 -0.031 0.000 2.377 283 S HA -0.218 4.252 4.470 -0.000 0.000 0.224 283 S C 2.326 176.964 174.600 0.063 0.000 1.042 283 S CA 1.965 60.202 58.200 0.062 0.000 1.086 283 S CB -0.757 62.522 63.200 0.131 0.000 0.995 283 S HN 0.404 nan 8.310 nan 0.000 0.428 284 L N 0.826 122.071 121.223 0.038 0.000 2.131 284 L HA 0.121 4.461 4.340 -0.000 0.000 0.210 284 L C 2.277 179.122 176.870 -0.042 0.000 1.092 284 L CA 1.397 56.228 54.840 -0.015 0.000 0.759 284 L CB -0.901 41.146 42.059 -0.020 0.000 0.903 284 L HN 0.423 nan 8.230 nan 0.000 0.435 285 L N -0.763 120.452 121.223 -0.014 0.000 2.179 285 L HA 0.070 4.410 4.340 -0.000 0.000 0.208 285 L C 2.400 179.261 176.870 -0.015 0.000 1.096 285 L CA 1.800 56.626 54.840 -0.022 0.000 0.779 285 L CB -0.879 41.180 42.059 -0.001 0.000 0.922 285 L HN 0.236 nan 8.230 nan 0.000 0.443 286 A N -1.511 121.321 122.820 0.020 0.000 1.968 286 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 286 A C 2.111 179.740 177.584 0.076 0.000 1.169 286 A CA 1.629 53.699 52.037 0.055 0.000 0.638 286 A CB -0.636 18.414 19.000 0.084 0.000 0.812 286 A HN 0.267 nan 8.150 nan 0.000 0.446 287 V N -0.919 119.021 119.914 0.043 0.000 2.331 287 V HA -0.079 4.041 4.120 -0.000 0.000 0.242 287 V C 2.276 178.313 176.094 -0.096 0.000 1.034 287 V CA 1.515 63.804 62.300 -0.019 0.000 1.027 287 V CB -0.460 31.294 31.823 -0.115 0.000 0.667 287 V HN 0.441 nan 8.190 nan 0.000 0.457 288 M N -0.485 118.982 119.600 -0.221 0.000 2.382 288 M HA 0.362 4.842 4.480 -0.000 0.000 0.247 288 M C 1.043 176.867 176.300 -0.793 0.000 1.104 288 M CA 0.850 55.847 55.300 -0.505 0.000 1.030 288 M CB -0.349 31.993 32.600 -0.430 0.000 1.424 288 M HN 0.545 nan 8.290 nan 0.000 0.486 289 G N 1.522 110.070 108.800 -0.420 0.000 2.795 289 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.664 289 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.664 289 G C -2.180 172.619 174.900 -0.168 0.000 1.381 289 G CA -0.469 44.471 45.100 -0.267 0.000 0.853 289 G HN 0.118 nan 8.290 nan 0.000 0.545 290 P HA -0.105 nan 4.420 nan 0.000 0.214 290 P C 1.628 178.920 177.300 -0.014 0.000 1.163 290 P CA 1.866 64.951 63.100 -0.026 0.000 0.883 290 P CB -0.054 31.646 31.700 0.000 0.000 0.788 291 K N -0.479 119.907 120.400 -0.023 0.000 2.152 291 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 291 K C 2.016 178.630 176.600 0.023 0.000 1.048 291 K CA 1.171 57.463 56.287 0.008 0.000 0.933 291 K CB -0.449 32.051 32.500 0.001 0.000 0.721 291 K HN 0.054 nan 8.250 nan 0.000 0.447 292 V N 0.427 120.295 119.914 -0.077 0.000 2.599 292 V HA -0.131 3.989 4.120 -0.000 0.000 0.245 292 V C 1.976 178.122 176.094 0.087 0.000 1.046 292 V CA 1.602 63.853 62.300 -0.082 0.000 1.065 292 V CB -0.112 31.439 31.823 -0.453 0.000 0.703 292 V HN 0.316 nan 8.190 nan 0.000 0.464 293 T N -0.260 114.311 114.554 0.029 0.000 2.708 293 T HA -0.298 4.052 4.350 -0.000 0.000 0.266 293 T C 1.868 176.677 174.700 0.181 0.000 1.037 293 T CA 2.012 64.174 62.100 0.102 0.000 1.146 293 T CB -0.210 68.685 68.868 0.044 0.000 0.865 293 T HN 0.402 nan 8.240 nan 0.000 0.435 294 Q N 0.249 120.134 119.800 0.142 0.000 1.985 294 Q HA -0.195 4.145 4.340 -0.000 0.000 0.207 294 Q C 2.014 178.130 176.000 0.194 0.000 0.996 294 Q CA 1.929 57.816 55.803 0.141 0.000 0.851 294 Q CB -0.716 28.090 28.738 0.114 0.000 0.921 294 Q HN 0.672 nan 8.270 nan 0.000 0.418 295 Y N -0.633 119.743 120.300 0.127 0.000 2.139 295 Y HA -0.302 4.248 4.550 -0.000 0.000 0.282 295 Y C 1.971 177.996 175.900 0.208 0.000 1.179 295 Y CA 2.223 60.418 58.100 0.158 0.000 1.161 295 Y CB -0.472 38.106 38.460 0.198 0.000 0.970 295 Y HN 0.443 nan 8.280 nan 0.000 0.511 296 W N 0.721 122.122 121.300 0.168 0.000 2.467 296 W HA -0.136 4.524 4.660 -0.000 0.000 0.275 296 W C 1.628 178.149 176.519 0.003 0.000 1.239 296 W CA 2.251 59.651 57.345 0.092 0.000 1.266 296 W CB -0.042 29.521 29.460 0.173 0.000 1.112 296 W HN 0.353 nan 8.180 nan 0.000 0.576 297 T N -3.140 111.496 114.554 0.136 0.000 2.955 297 T HA 0.144 4.494 4.350 -0.000 0.000 0.251 297 T C 0.169 174.864 174.700 -0.008 0.000 1.002 297 T CA 0.048 62.179 62.100 0.053 0.000 0.970 297 T CB 0.545 69.499 68.868 0.142 0.000 1.091 297 T HN -0.241 nan 8.240 nan 0.000 0.495 298 E N 0.816 121.013 120.200 -0.005 0.000 2.266 298 E HA 0.647 4.997 4.350 -0.000 0.000 0.268 298 E C 0.243 176.811 176.600 -0.052 0.000 0.879 298 E CA -0.229 56.160 56.400 -0.019 0.000 0.762 298 E CB 1.849 31.559 29.700 0.017 0.000 1.199 298 E HN 0.565 nan 8.360 nan 0.000 0.422 299 G N 2.659 111.423 108.800 -0.061 0.000 2.434 299 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.671 299 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.671 299 G C -2.370 172.470 174.900 -0.100 0.000 1.280 299 G CA -0.499 44.562 45.100 -0.065 0.000 0.975 299 G HN 0.372 nan 8.290 nan 0.000 0.510 300 P HA 0.090 nan 4.420 nan 0.000 0.214 300 P C 2.256 179.477 177.300 -0.132 0.000 1.162 300 P CA 2.814 65.863 63.100 -0.085 0.000 0.874 300 P CB -0.113 31.560 31.700 -0.046 0.000 0.784 301 A N -0.414 122.301 122.820 -0.176 0.000 2.125 301 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 301 A C 2.146 179.541 177.584 -0.315 0.000 1.156 301 A CA 1.909 53.811 52.037 -0.225 0.000 0.671 301 A CB -1.327 17.522 19.000 -0.251 0.000 0.794 301 A HN 0.239 nan 8.150 nan 0.000 0.459 302 A N -1.104 121.502 122.820 -0.358 0.000 2.197 302 A HA 0.248 4.568 4.320 -0.000 0.000 0.210 302 A C 1.667 179.091 177.584 -0.266 0.000 1.180 302 A CA 0.731 52.544 52.037 -0.375 0.000 0.846 302 A CB -0.012 18.722 19.000 -0.444 0.000 0.884 302 A HN 0.492 nan 8.150 nan 0.000 0.487 303 E N -0.444 119.639 120.200 -0.196 0.000 2.152 303 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 303 E C 1.762 178.283 176.600 -0.133 0.000 0.983 303 E CA 0.894 57.208 56.400 -0.144 0.000 0.818 303 E CB -0.108 29.528 29.700 -0.107 0.000 0.758 303 E HN 0.474 nan 8.360 nan 0.000 0.467 304 L N 0.714 121.857 121.223 -0.133 0.000 2.083 304 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 304 L C 2.103 178.896 176.870 -0.127 0.000 1.083 304 L CA 1.740 56.513 54.840 -0.111 0.000 0.752 304 L CB -0.465 41.537 42.059 -0.095 0.000 0.899 304 L HN 0.051 nan 8.230 nan 0.000 0.433 305 A N -0.834 121.882 122.820 -0.173 0.000 1.877 305 A HA -0.276 4.044 4.320 -0.000 0.000 0.216 305 A C 2.326 179.799 177.584 -0.185 0.000 1.186 305 A CA 1.793 53.714 52.037 -0.194 0.000 0.620 305 A CB -0.756 18.073 19.000 -0.285 0.000 0.822 305 A HN 0.567 nan 8.150 nan 0.000 0.443 306 E N -0.781 119.306 120.200 -0.188 0.000 2.153 306 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 306 E C 2.162 178.680 176.600 -0.137 0.000 0.988 306 E CA 1.375 57.675 56.400 -0.166 0.000 0.811 306 E CB -0.108 29.502 29.700 -0.151 0.000 0.746 306 E HN 0.766 nan 8.360 nan 0.000 0.466 307 Q N -0.136 119.595 119.800 -0.115 0.000 2.172 307 Q HA -0.075 4.265 4.340 -0.000 0.000 0.200 307 Q C 2.046 177.999 176.000 -0.078 0.000 0.964 307 Q CA 0.829 56.580 55.803 -0.087 0.000 0.855 307 Q CB 0.197 28.892 28.738 -0.071 0.000 0.918 307 Q HN 0.139 nan 8.270 nan 0.000 0.444 308 R N -0.421 120.026 120.500 -0.088 0.000 2.153 308 R HA 0.028 4.368 4.340 -0.000 0.000 0.218 308 R C 1.390 177.631 176.300 -0.098 0.000 1.072 308 R CA 0.581 56.643 56.100 -0.063 0.000 0.990 308 R CB 0.180 30.442 30.300 -0.064 0.000 0.889 308 R HN 0.244 nan 8.270 nan 0.000 0.452 309 L N -0.096 121.016 121.223 -0.185 0.000 2.653 309 L HA 0.175 4.515 4.340 -0.000 0.000 0.232 309 L C 1.932 178.566 176.870 -0.393 0.000 1.169 309 L CA -0.273 54.369 54.840 -0.331 0.000 0.951 309 L CB 0.353 42.251 42.059 -0.269 0.000 1.181 309 L HN 0.236 nan 8.230 nan 0.000 0.460 310 G N 0.402 109.055 108.800 -0.246 0.000 2.469 310 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 310 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 310 G C 1.455 176.262 174.900 -0.154 0.000 1.136 310 G CA 1.036 46.041 45.100 -0.158 0.000 0.759 310 G HN 0.659 nan 8.290 nan 0.000 0.562 311 H N 0.302 119.336 119.070 -0.060 0.000 2.491 311 H HA -0.039 4.517 4.556 -0.000 0.000 0.290 311 H C 2.132 177.427 175.328 -0.056 0.000 1.050 311 H CA 1.654 57.671 56.048 -0.050 0.000 1.309 311 H CB -0.727 29.009 29.762 -0.042 0.000 1.392 311 H HN 0.466 nan 8.280 nan 0.000 0.554 312 T N -2.980 111.387 114.554 -0.311 0.000 3.031 312 T HA 0.263 4.613 4.350 -0.000 0.000 0.254 312 T C 1.696 176.305 174.700 -0.152 0.000 1.060 312 T CA 0.572 62.557 62.100 -0.192 0.000 1.135 312 T CB -0.273 68.421 68.868 -0.289 0.000 0.896 312 T HN 0.594 nan 8.240 nan 0.000 0.472 313 G N 1.830 110.526 108.800 -0.173 0.000 2.212 313 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.255 313 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.255 313 G C -0.174 174.622 174.900 -0.172 0.000 1.062 313 G CA 0.068 45.084 45.100 -0.139 0.000 0.815 313 G HN 0.555 nan 8.290 nan 0.000 0.497 314 M N 0.609 120.088 119.600 -0.201 0.000 2.363 314 M HA 0.398 4.878 4.480 -0.000 0.000 0.343 314 M C -1.956 174.235 176.300 -0.182 0.000 1.165 314 M CA -2.072 53.089 55.300 -0.233 0.000 1.046 314 M CB 1.819 34.331 32.600 -0.147 0.000 1.648 314 M HN -0.017 nan 8.290 nan 0.000 0.452 315 P HA 0.072 nan 4.420 nan 0.000 0.238 315 P C 0.763 178.078 177.300 0.024 0.000 1.794 315 P CA -0.209 62.847 63.100 -0.072 0.000 1.088 315 P CB -0.474 31.194 31.700 -0.054 0.000 1.923 316 V N 0.855 120.743 119.914 -0.044 0.000 2.626 316 V HA -0.136 3.984 4.120 -0.000 0.000 0.252 316 V C 1.964 178.008 176.094 -0.083 0.000 1.067 316 V CA 1.012 63.275 62.300 -0.062 0.000 1.081 316 V CB -1.151 30.572 31.823 -0.167 0.000 0.686 316 V HN 0.186 nan 8.190 nan 0.000 0.468 317 R N 0.160 120.604 120.500 -0.093 0.000 2.276 317 R HA 0.142 4.482 4.340 -0.000 0.000 0.203 317 R C 2.148 178.481 176.300 0.055 0.000 1.017 317 R CA 0.696 56.743 56.100 -0.088 0.000 1.010 317 R CB -0.134 30.107 30.300 -0.098 0.000 0.900 317 R HN 0.525 nan 8.270 nan 0.000 0.469 318 R N -0.365 120.204 120.500 0.115 0.000 2.334 318 R HA 0.223 4.563 4.340 -0.000 0.000 0.212 318 R C 0.242 176.715 176.300 0.287 0.000 0.897 318 R CA -0.012 56.206 56.100 0.197 0.000 1.056 318 R CB 0.401 30.821 30.300 0.199 0.000 1.046 318 R HN 0.032 nan 8.270 nan 0.000 0.513 319 M N 2.312 122.080 119.600 0.280 0.000 2.264 319 M HA 0.112 4.592 4.480 -0.000 0.000 0.340 319 M C -0.559 175.989 176.300 0.414 0.000 1.420 319 M CA -0.172 55.305 55.300 0.295 0.000 1.254 319 M CB 1.031 33.682 32.600 0.085 0.000 1.575 319 M HN -0.176 nan 8.290 nan 0.000 0.452 320 V N 0.981 121.111 119.914 0.360 0.000 2.313 320 V HA 0.899 5.019 4.120 -0.000 0.000 0.278 320 V C 0.409 176.648 176.094 0.241 0.000 1.017 320 V CA -0.752 61.721 62.300 0.288 0.000 0.823 320 V CB 0.547 32.514 31.823 0.241 0.000 1.010 320 V HN 1.043 nan 8.190 nan 0.000 0.443 321 G N 2.983 111.849 108.800 0.110 0.000 3.316 321 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.445 321 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.445 321 G C -0.801 174.183 174.900 0.141 0.000 1.002 321 G CA 0.270 45.431 45.100 0.101 0.000 0.818 321 G HN 1.238 nan 8.290 nan 0.000 0.404 322 Q N 0.695 120.542 119.800 0.078 0.000 2.433 322 Q HA 0.753 5.093 4.340 -0.000 0.000 0.279 322 Q C -0.280 175.759 176.000 0.065 0.000 1.105 322 Q CA -1.046 54.806 55.803 0.081 0.000 0.815 322 Q CB 1.704 30.510 28.738 0.113 0.000 1.403 322 Q HN 1.143 nan 8.270 nan 0.000 0.435 323 H N 0.747 119.858 119.070 0.067 0.000 2.806 323 H HA 0.742 5.298 4.556 -0.000 0.000 0.367 323 H C -1.456 173.882 175.328 0.017 0.000 1.136 323 H CA -0.903 55.155 56.048 0.017 0.000 1.178 323 H CB 1.547 31.274 29.762 -0.059 0.000 1.718 323 H HN 0.657 nan 8.280 nan 0.000 0.540 324 M N 2.008 121.668 119.600 0.101 0.000 2.465 324 M HA 0.534 5.014 4.480 -0.000 0.000 0.284 324 M C -1.768 174.460 176.300 -0.119 0.000 1.212 324 M CA -0.203 55.030 55.300 -0.112 0.000 0.910 324 M CB 2.577 34.871 32.600 -0.510 0.000 1.725 324 M HN 0.861 nan 8.290 nan 0.000 0.477 325 T N 4.484 119.071 114.554 0.055 0.000 2.841 325 T HA 0.546 4.896 4.350 -0.000 0.000 0.285 325 T C -0.724 174.121 174.700 0.240 0.000 0.991 325 T CA -0.536 61.662 62.100 0.163 0.000 0.966 325 T CB 1.202 70.241 68.868 0.286 0.000 0.962 325 T HN 0.443 nan 8.240 nan 0.000 0.438 326 I N 3.862 124.614 120.570 0.302 0.000 2.281 326 I HA 0.244 4.414 4.170 -0.000 0.000 0.293 326 I C 0.329 176.792 176.117 0.576 0.000 1.085 326 I CA -0.904 60.643 61.300 0.411 0.000 1.257 326 I CB -0.341 37.875 38.000 0.360 0.000 1.430 326 I HN 0.665 nan 8.210 nan 0.000 0.489 327 F N 10.450 130.733 119.950 0.555 0.000 2.635 327 F HA 0.025 4.552 4.527 -0.000 0.000 0.379 327 F C -1.224 174.825 175.800 0.416 0.000 1.094 327 F CA -0.378 57.815 58.000 0.321 0.000 1.300 327 F CB 0.613 39.611 39.000 -0.004 0.000 1.035 327 F HN 0.392 nan 8.300 nan 0.000 0.581 328 P HA 0.014 nan 4.420 nan 0.000 0.220 328 P C 0.160 177.389 177.300 -0.119 0.000 1.154 328 P CA 1.083 63.607 63.100 -0.959 0.000 0.837 328 P CB 0.257 31.111 31.700 -1.410 0.000 0.815 329 T N -3.639 110.964 114.554 0.083 0.000 3.697 329 T HA 0.330 4.680 4.350 -0.000 0.000 0.260 329 T C -0.456 174.389 174.700 0.242 0.000 0.998 329 T CA -0.557 61.746 62.100 0.338 0.000 1.128 329 T CB -1.477 67.559 68.868 0.281 0.000 1.082 329 T HN 0.061 nan 8.240 nan 0.000 0.541 330 C N 2.090 121.554 119.300 0.273 0.000 2.534 330 C HA 0.774 5.234 4.460 -0.000 0.000 0.309 330 C C -0.411 174.713 174.990 0.223 0.000 1.072 330 C CA -0.140 59.008 59.018 0.218 0.000 1.441 330 C CB -0.716 27.281 27.740 0.428 0.000 1.906 330 C HN 0.657 nan 8.230 nan 0.000 0.429 331 S N 4.700 120.406 115.700 0.011 0.000 2.501 331 S HA 0.933 5.403 4.470 -0.000 0.000 0.301 331 S C -0.781 173.849 174.600 0.051 0.000 1.096 331 S CA -0.384 57.814 58.200 -0.003 0.000 1.063 331 S CB 1.126 64.257 63.200 -0.115 0.000 1.042 331 S HN 0.815 nan 8.310 nan 0.000 0.494 332 F N -0.268 119.792 119.950 0.183 0.000 2.645 332 F HA 0.726 5.253 4.527 -0.000 0.000 0.310 332 F C -1.734 174.196 175.800 0.217 0.000 1.102 332 F CA -1.476 56.597 58.000 0.122 0.000 0.952 332 F CB 0.946 39.966 39.000 0.034 0.000 1.326 332 F HN 0.268 nan 8.300 nan 0.000 0.456 333 L N 2.425 123.829 121.223 0.301 0.000 2.408 333 L HA 0.410 4.750 4.340 -0.000 0.000 0.257 333 L C -2.096 174.845 176.870 0.118 0.000 1.053 333 L CA -1.609 53.313 54.840 0.137 0.000 0.922 333 L CB 1.160 43.168 42.059 -0.085 0.000 1.261 333 L HN 0.394 nan 8.230 nan 0.000 0.458 334 P HA -0.328 nan 4.420 nan 0.000 0.218 334 P C 1.556 178.773 177.300 -0.139 0.000 1.165 334 P CA 2.108 65.328 63.100 0.201 0.000 0.922 334 P CB 0.364 32.246 31.700 0.303 0.000 0.794 335 A N -0.777 121.802 122.820 -0.402 0.000 2.015 335 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 335 A C 1.969 179.206 177.584 -0.579 0.000 1.163 335 A CA 2.005 53.360 52.037 -1.137 0.000 0.646 335 A CB -1.213 17.213 19.000 -0.957 0.000 0.806 335 A HN 0.258 nan 8.150 nan 0.000 0.448 336 M N -3.394 116.077 119.600 -0.216 0.000 2.492 336 M HA 0.267 4.747 4.480 -0.000 0.000 0.255 336 M C 0.152 176.557 176.300 0.175 0.000 1.139 336 M CA 0.787 56.087 55.300 -0.001 0.000 1.096 336 M CB -0.511 32.091 32.600 0.004 0.000 1.360 336 M HN 0.247 nan 8.290 nan 0.000 0.480 337 N N 2.160 120.895 118.700 0.059 0.000 2.747 337 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 337 N C -0.530 174.973 175.510 -0.012 0.000 1.107 337 N CA 0.555 53.621 53.050 0.026 0.000 0.707 337 N CB -1.761 36.698 38.487 -0.047 0.000 1.054 337 N HN 0.633 nan 8.380 nan 0.000 0.555 338 N N 0.799 119.461 118.700 -0.064 0.000 2.408 338 N HA 0.317 5.057 4.740 -0.000 0.000 0.257 338 N C -0.745 174.693 175.510 -0.120 0.000 1.064 338 N CA -0.129 52.847 53.050 -0.123 0.000 0.952 338 N CB 0.476 38.753 38.487 -0.349 0.000 1.093 338 N HN 0.115 nan 8.380 nan 0.000 0.490 339 I N 3.216 123.607 120.570 -0.298 0.000 2.525 339 I HA 0.481 4.651 4.170 -0.000 0.000 0.301 339 I C 0.167 175.995 176.117 -0.482 0.000 0.992 339 I CA -0.568 60.482 61.300 -0.417 0.000 1.162 339 I CB 1.625 39.097 38.000 -0.879 0.000 1.332 339 I HN 0.477 nan 8.210 nan 0.000 0.458 340 R N 5.053 125.284 120.500 -0.448 0.000 2.668 340 R HA 0.772 5.112 4.340 -0.000 0.000 0.272 340 R C -1.759 174.123 176.300 -0.696 0.000 1.019 340 R CA -0.812 54.926 56.100 -0.603 0.000 0.894 340 R CB 1.492 31.237 30.300 -0.926 0.000 1.228 340 R HN 0.426 nan 8.270 nan 0.000 0.460 341 I N 1.268 121.479 120.570 -0.598 0.000 2.404 341 I HA 0.366 4.536 4.170 -0.000 0.000 0.293 341 I C -0.869 174.782 176.117 -0.777 0.000 0.992 341 I CA -0.727 60.212 61.300 -0.601 0.000 1.149 341 I CB 1.433 39.186 38.000 -0.412 0.000 1.315 341 I HN 0.506 nan 8.210 nan 0.000 0.446 342 W N 4.762 125.866 121.300 -0.326 0.000 2.282 342 W HA 0.421 5.081 4.660 -0.000 0.000 0.322 342 W C -0.148 176.185 176.519 -0.310 0.000 1.011 342 W CA -0.569 56.614 57.345 -0.271 0.000 1.392 342 W CB 0.155 29.572 29.460 -0.073 0.000 1.215 342 W HN 0.412 nan 8.180 nan 0.000 0.394 343 H N 4.189 123.219 119.070 -0.067 0.000 2.668 343 H HA 0.185 4.741 4.556 0.000 0.000 0.303 343 H C -1.781 173.441 175.328 -0.176 0.000 1.074 343 H CA -1.967 53.930 56.048 -0.252 0.000 1.406 343 H CB 0.797 30.267 29.762 -0.487 0.000 1.442 343 H HN 0.068 nan 8.280 nan 0.000 0.482 344 P HA 0.099 nan 4.420 nan 0.000 0.275 344 P C -0.302 176.977 177.300 -0.035 0.000 1.227 344 P CA -0.495 62.572 63.100 -0.055 0.000 0.781 344 P CB 1.206 32.770 31.700 -0.227 0.000 0.906 345 R N 1.984 122.469 120.500 -0.025 0.000 2.674 345 R HA 0.476 4.816 4.340 -0.000 0.000 0.270 345 R C 0.499 176.668 176.300 -0.219 0.000 1.492 345 R CA -0.215 55.834 56.100 -0.084 0.000 1.624 345 R CB 0.403 30.668 30.300 -0.059 0.000 1.307 345 R HN 0.947 nan 8.270 nan 0.000 0.683 346 G N 2.070 110.518 108.800 -0.588 0.000 2.756 346 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.678 346 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.678 346 G C -1.965 172.362 174.900 -0.956 0.000 1.349 346 G CA -0.750 43.715 45.100 -1.058 0.000 0.847 346 G HN 0.087 nan 8.290 nan 0.000 0.548 347 P HA -0.029 nan 4.420 nan 0.000 0.222 347 P C 0.807 178.081 177.300 -0.043 0.000 1.147 347 P CA 1.230 64.230 63.100 -0.166 0.000 0.790 347 P CB 0.063 31.750 31.700 -0.020 0.000 0.780 348 N N -0.326 118.330 118.700 -0.073 0.000 2.234 348 N HA 0.116 4.856 4.740 -0.000 0.000 0.227 348 N C 0.024 175.543 175.510 0.015 0.000 1.151 348 N CA 0.172 53.223 53.050 0.001 0.000 0.865 348 N CB 1.358 39.846 38.487 0.002 0.000 1.066 348 N HN 0.335 nan 8.380 nan 0.000 0.515 349 E N 0.933 121.135 120.200 0.003 0.000 2.363 349 E HA 0.377 4.727 4.350 -0.000 0.000 0.281 349 E C -1.463 175.171 176.600 0.056 0.000 0.953 349 E CA -0.583 55.838 56.400 0.034 0.000 0.778 349 E CB 2.153 31.861 29.700 0.013 0.000 1.220 349 E HN 0.117 nan 8.360 nan 0.000 0.431 350 I N -1.044 119.581 120.570 0.093 0.000 2.934 350 I HA 0.614 4.784 4.170 -0.000 0.000 0.306 350 I C -0.753 175.432 176.117 0.114 0.000 1.110 350 I CA -0.899 60.467 61.300 0.111 0.000 1.019 350 I CB 2.266 40.356 38.000 0.150 0.000 1.227 350 I HN 0.348 nan 8.210 nan 0.000 0.434 351 E N 2.369 122.631 120.200 0.103 0.000 2.191 351 E HA 0.543 4.893 4.350 -0.000 0.000 0.274 351 E C -1.325 175.324 176.600 0.083 0.000 0.948 351 E CA -0.963 55.524 56.400 0.144 0.000 0.802 351 E CB 2.779 32.633 29.700 0.256 0.000 1.137 351 E HN 0.446 nan 8.360 nan 0.000 0.397 352 V N 3.547 123.406 119.914 -0.091 0.000 2.313 352 V HA 0.201 4.321 4.120 -0.000 0.000 0.278 352 V C -1.079 174.828 176.094 -0.311 0.000 1.017 352 V CA -0.792 61.264 62.300 -0.408 0.000 0.823 352 V CB 0.084 31.314 31.823 -0.989 0.000 1.010 352 V HN 0.597 nan 8.190 nan 0.000 0.443 353 W N 3.675 124.694 121.300 -0.469 0.000 2.314 353 W HA 0.768 5.428 4.660 -0.000 0.000 0.310 353 W C 0.200 176.599 176.519 -0.200 0.000 1.075 353 W CA -0.890 56.317 57.345 -0.230 0.000 1.253 353 W CB 1.524 30.927 29.460 -0.095 0.000 1.238 353 W HN 0.601 nan 8.180 nan 0.000 0.440 354 A N 5.348 128.242 122.820 0.123 0.000 2.355 354 A HA 0.937 5.257 4.320 -0.000 0.000 0.317 354 A C -1.279 176.482 177.584 0.296 0.000 1.094 354 A CA -0.560 51.556 52.037 0.131 0.000 0.764 354 A CB 0.879 20.000 19.000 0.202 0.000 1.230 354 A HN 0.564 nan 8.150 nan 0.000 0.448 355 F N -0.156 119.858 119.950 0.107 0.000 2.706 355 F HA 0.912 5.439 4.527 -0.000 0.000 0.328 355 F C -0.109 175.751 175.800 0.101 0.000 1.123 355 F CA -0.562 57.517 58.000 0.131 0.000 0.978 355 F CB 1.718 40.839 39.000 0.202 0.000 1.404 355 F HN 0.544 nan 8.300 nan 0.000 0.497 356 T N 0.096 114.761 114.554 0.186 0.000 2.881 356 T HA 0.689 5.039 4.350 -0.000 0.000 0.290 356 T C -1.185 173.536 174.700 0.035 0.000 1.000 356 T CA -0.651 61.473 62.100 0.040 0.000 0.978 356 T CB 1.466 70.398 68.868 0.107 0.000 0.997 356 T HN 0.809 nan 8.240 nan 0.000 0.443 357 L N 3.046 124.225 121.223 -0.072 0.000 2.322 357 L HA 0.844 5.184 4.340 -0.000 0.000 0.279 357 L C -0.028 176.708 176.870 -0.224 0.000 1.036 357 L CA -1.173 53.584 54.840 -0.137 0.000 0.807 357 L CB 1.817 43.789 42.059 -0.146 0.000 1.226 357 L HN 0.764 nan 8.230 nan 0.000 0.433 358 V N -2.106 117.670 119.914 -0.229 0.000 3.102 358 V HA 0.507 4.627 4.120 -0.000 0.000 0.312 358 V C -0.813 175.181 176.094 -0.166 0.000 1.135 358 V CA -1.148 60.981 62.300 -0.284 0.000 1.022 358 V CB 2.028 33.705 31.823 -0.244 0.000 1.056 358 V HN 0.516 nan 8.190 nan 0.000 0.436 359 D N 1.520 121.852 120.400 -0.113 0.000 2.425 359 D HA 0.353 4.993 4.640 -0.000 0.000 0.247 359 D C 1.181 177.462 176.300 -0.031 0.000 1.147 359 D CA 0.747 54.732 54.000 -0.025 0.000 0.879 359 D CB 1.928 42.770 40.800 0.071 0.000 1.179 359 D HN 0.894 nan 8.370 nan 0.000 0.456 360 A N 3.350 126.156 122.820 -0.023 0.000 1.908 360 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 360 A C 1.296 178.875 177.584 -0.008 0.000 1.181 360 A CA 1.483 53.507 52.037 -0.022 0.000 0.627 360 A CB -0.105 18.888 19.000 -0.013 0.000 0.818 360 A HN 0.618 nan 8.150 nan 0.000 0.445 361 D N -0.462 119.943 120.400 0.008 0.000 2.395 361 D HA 0.452 5.092 4.640 -0.000 0.000 0.226 361 D C 0.397 176.721 176.300 0.040 0.000 1.146 361 D CA 0.347 54.358 54.000 0.019 0.000 0.830 361 D CB -0.569 40.242 40.800 0.018 0.000 0.958 361 D HN 0.363 nan 8.370 nan 0.000 0.501 362 A N 1.106 123.948 122.820 0.037 0.000 2.332 362 A HA 0.532 4.852 4.320 -0.000 0.000 0.258 362 A C -2.240 175.357 177.584 0.023 0.000 1.087 362 A CA -1.003 51.065 52.037 0.051 0.000 0.802 362 A CB -0.114 18.875 19.000 -0.019 0.000 1.042 362 A HN 0.104 nan 8.150 nan 0.000 0.489 363 P HA 0.330 nan 4.420 nan 0.000 0.274 363 P C 0.574 177.874 177.300 -0.001 0.000 1.237 363 P CA 0.279 63.392 63.100 0.022 0.000 0.793 363 P CB 0.827 32.553 31.700 0.043 0.000 0.977 364 A N 1.432 124.256 122.820 0.007 0.000 2.067 364 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 364 A C 1.843 179.433 177.584 0.010 0.000 1.158 364 A CA 1.493 53.533 52.037 0.006 0.000 0.661 364 A CB -0.925 18.080 19.000 0.009 0.000 0.801 364 A HN 0.526 nan 8.150 nan 0.000 0.452 365 E N -0.257 119.950 120.200 0.011 0.000 2.107 365 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 365 E C 1.733 178.338 176.600 0.008 0.000 0.982 365 E CA 0.781 57.190 56.400 0.015 0.000 0.809 365 E CB -0.090 29.622 29.700 0.021 0.000 0.756 365 E HN 0.539 nan 8.360 nan 0.000 0.459 366 I N 0.609 121.166 120.570 -0.022 0.000 2.406 366 I HA -0.126 4.044 4.170 -0.000 0.000 0.249 366 I C 1.732 177.879 176.117 0.050 0.000 1.122 366 I CA 1.075 62.339 61.300 -0.059 0.000 1.431 366 I CB -0.629 37.192 38.000 -0.298 0.000 1.087 366 I HN 0.084 nan 8.210 nan 0.000 0.424 367 K N 0.543 120.953 120.400 0.016 0.000 2.097 367 K HA -0.221 4.099 4.320 -0.000 0.000 0.205 367 K C 1.991 178.644 176.600 0.087 0.000 1.050 367 K CA 1.248 57.560 56.287 0.042 0.000 0.938 367 K CB -0.012 32.486 32.500 -0.003 0.000 0.718 367 K HN 0.094 nan 8.250 nan 0.000 0.442 368 E N 1.486 121.723 120.200 0.061 0.000 2.072 368 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 368 E C 1.764 178.417 176.600 0.088 0.000 0.985 368 E CA 1.409 57.845 56.400 0.061 0.000 0.801 368 E CB 0.059 29.782 29.700 0.037 0.000 0.750 368 E HN 0.135 nan 8.360 nan 0.000 0.452 369 E N -0.422 119.832 120.200 0.090 0.000 2.077 369 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 369 E C 2.126 178.801 176.600 0.125 0.000 0.989 369 E CA 1.072 57.536 56.400 0.107 0.000 0.800 369 E CB -0.523 29.175 29.700 -0.002 0.000 0.746 369 E HN 0.466 nan 8.360 nan 0.000 0.452 370 Y N 0.965 121.293 120.300 0.045 0.000 2.224 370 Y HA -0.162 4.388 4.550 -0.000 0.000 0.289 370 Y C 2.734 178.682 175.900 0.081 0.000 1.146 370 Y CA 1.562 59.690 58.100 0.048 0.000 1.182 370 Y CB -0.078 38.380 38.460 -0.003 0.000 0.983 370 Y HN -0.024 nan 8.280 nan 0.000 0.524 371 R N 0.409 121.034 120.500 0.209 0.000 2.070 371 R HA -0.182 4.158 4.340 -0.000 0.000 0.233 371 R C 2.342 178.698 176.300 0.093 0.000 1.137 371 R CA 1.645 57.826 56.100 0.134 0.000 0.945 371 R CB -0.172 30.180 30.300 0.088 0.000 0.845 371 R HN 0.264 nan 8.270 nan 0.000 0.430 372 R N -0.871 119.663 120.500 0.057 0.000 2.080 372 R HA -0.171 4.169 4.340 -0.000 0.000 0.236 372 R C 2.251 178.482 176.300 -0.114 0.000 1.137 372 R CA 2.160 58.227 56.100 -0.054 0.000 0.943 372 R CB -0.566 29.657 30.300 -0.128 0.000 0.846 372 R HN 0.468 nan 8.270 nan 0.000 0.431 373 H N -0.096 118.948 119.070 -0.043 0.000 2.462 373 H HA 0.027 4.583 4.556 -0.000 0.000 0.292 373 H C 1.823 177.099 175.328 -0.086 0.000 1.049 373 H CA 0.922 56.915 56.048 -0.091 0.000 1.334 373 H CB -0.011 29.674 29.762 -0.127 0.000 1.404 373 H HN 0.195 nan 8.280 nan 0.000 0.544 374 N N 0.232 119.025 118.700 0.156 0.000 2.216 374 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 374 N C 1.757 177.353 175.510 0.142 0.000 1.017 374 N CA 0.874 54.078 53.050 0.256 0.000 0.861 374 N CB 0.096 38.760 38.487 0.295 0.000 0.986 374 N HN 0.356 nan 8.380 nan 0.000 0.428 375 I N 0.844 121.448 120.570 0.057 0.000 2.202 375 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 375 I C 2.642 178.718 176.117 -0.067 0.000 1.091 375 I CA 0.790 62.094 61.300 0.007 0.000 1.368 375 I CB -0.157 37.837 38.000 -0.010 0.000 1.058 375 I HN 0.041 nan 8.210 nan 0.000 0.410 376 R N 0.832 121.261 120.500 -0.119 0.000 2.096 376 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 376 R C 1.856 178.040 176.300 -0.194 0.000 1.127 376 R CA 1.550 57.555 56.100 -0.159 0.000 0.968 376 R CB -0.012 30.163 30.300 -0.207 0.000 0.861 376 R HN 0.442 nan 8.270 nan 0.000 0.440 377 N N -1.246 117.236 118.700 -0.363 0.000 2.482 377 N HA -0.003 4.737 4.740 -0.000 0.000 0.179 377 N C 0.630 175.830 175.510 -0.516 0.000 1.039 377 N CA 0.814 53.482 53.050 -0.637 0.000 0.884 377 N CB 0.338 37.907 38.487 -1.530 0.000 1.113 377 N HN 0.130 nan 8.380 nan 0.000 0.440 378 F N 0.746 120.743 119.950 0.078 0.000 2.706 378 F HA 0.275 4.802 4.527 -0.000 0.000 0.313 378 F C 1.422 177.315 175.800 0.155 0.000 1.096 378 F CA -0.762 57.328 58.000 0.149 0.000 1.219 378 F CB -0.322 38.772 39.000 0.157 0.000 1.051 378 F HN -0.198 nan 8.300 nan 0.000 0.568 379 S N 0.732 116.498 115.700 0.111 0.000 2.641 379 S HA 0.503 4.973 4.470 -0.000 0.000 0.261 379 S C 1.816 176.048 174.600 -0.614 0.000 1.257 379 S CA -0.044 58.060 58.200 -0.159 0.000 0.983 379 S CB 1.095 64.224 63.200 -0.118 0.000 0.990 379 S HN 0.175 nan 8.310 nan 0.000 0.572 380 A N 0.881 122.934 122.820 -1.278 0.000 1.917 380 A HA 0.048 4.368 4.320 -0.000 0.000 0.219 380 A C 2.116 179.380 177.584 -0.533 0.000 1.182 380 A CA 1.957 53.203 52.037 -1.318 0.000 0.633 380 A CB -1.817 16.509 19.000 -1.123 0.000 0.819 380 A HN 1.256 nan 8.150 nan 0.000 0.448 381 G N -0.712 107.884 108.800 -0.342 0.000 2.813 381 G HA2 0.359 4.319 3.960 -0.000 0.000 0.209 381 G HA3 0.359 4.319 3.960 -0.000 0.000 0.209 381 G C 0.795 175.613 174.900 -0.136 0.000 1.150 381 G CA 0.504 45.490 45.100 -0.190 0.000 0.785 381 G HN 0.802 nan 8.290 nan 0.000 0.535 382 G N 0.205 108.924 108.800 -0.135 0.000 2.432 382 G HA2 0.286 4.246 3.960 -0.000 0.000 0.239 382 G HA3 0.286 4.246 3.960 -0.000 0.000 0.239 382 G C 1.313 176.200 174.900 -0.021 0.000 1.291 382 G CA 0.255 45.309 45.100 -0.076 0.000 0.863 382 G HN 0.583 nan 8.290 nan 0.000 0.560 383 V N 0.695 120.595 119.914 -0.024 0.000 2.720 383 V HA -0.076 4.044 4.120 -0.000 0.000 0.256 383 V C 2.013 178.124 176.094 0.029 0.000 1.082 383 V CA 1.372 63.667 62.300 -0.009 0.000 1.101 383 V CB -0.928 30.875 31.823 -0.033 0.000 0.693 383 V HN 0.514 nan 8.190 nan 0.000 0.479 384 F N 1.314 121.208 119.950 -0.093 0.000 2.094 384 F HA 0.121 4.648 4.527 -0.000 0.000 0.291 384 F C 2.550 178.458 175.800 0.181 0.000 1.109 384 F CA 1.859 59.853 58.000 -0.010 0.000 1.221 384 F CB -0.744 38.157 39.000 -0.165 0.000 1.014 384 F HN 0.216 nan 8.300 nan 0.000 0.473 385 E N 0.572 120.994 120.200 0.371 0.000 2.147 385 E HA -0.266 4.084 4.350 -0.000 0.000 0.199 385 E C 1.982 178.677 176.600 0.160 0.000 1.005 385 E CA 1.697 58.293 56.400 0.326 0.000 0.810 385 E CB -0.368 29.517 29.700 0.308 0.000 0.736 385 E HN 0.467 nan 8.360 nan 0.000 0.460 386 Q N -0.350 119.494 119.800 0.074 0.000 2.135 386 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 386 Q C 1.483 177.465 176.000 -0.031 0.000 0.981 386 Q CA 1.553 57.357 55.803 0.002 0.000 0.856 386 Q CB -0.035 28.687 28.738 -0.027 0.000 0.902 386 Q HN 0.421 nan 8.270 nan 0.000 0.425 387 D N 0.199 120.583 120.400 -0.027 0.000 2.234 387 D HA -0.090 4.550 4.640 -0.000 0.000 0.205 387 D C 1.218 177.376 176.300 -0.237 0.000 0.962 387 D CA 0.616 54.539 54.000 -0.128 0.000 0.855 387 D CB -0.075 40.624 40.800 -0.168 0.000 0.951 387 D HN 0.183 nan 8.370 nan 0.000 0.500 388 D N 0.862 121.131 120.400 -0.218 0.000 2.077 388 D HA -0.111 4.529 4.640 -0.000 0.000 0.193 388 D C 2.222 177.943 176.300 -0.964 0.000 0.989 388 D CA 1.457 55.070 54.000 -0.646 0.000 0.831 388 D CB -0.581 39.902 40.800 -0.527 0.000 0.979 388 D HN 0.234 nan 8.370 nan 0.000 0.449 389 G N 0.695 109.212 108.800 -0.472 0.000 2.440 389 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.218 389 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.218 389 G C 1.576 176.434 174.900 -0.071 0.000 1.154 389 G CA 1.231 46.268 45.100 -0.105 0.000 0.767 389 G HN 0.264 nan 8.290 nan 0.000 0.552 390 E N 1.221 121.353 120.200 -0.112 0.000 2.070 390 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 390 E C 2.343 178.871 176.600 -0.120 0.000 1.004 390 E CA 1.627 57.972 56.400 -0.091 0.000 0.805 390 E CB -0.305 29.337 29.700 -0.096 0.000 0.744 390 E HN 0.346 nan 8.360 nan 0.000 0.451 391 N N -0.298 118.274 118.700 -0.213 0.000 2.084 391 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 391 N C 1.490 176.934 175.510 -0.109 0.000 1.030 391 N CA 1.404 54.336 53.050 -0.197 0.000 0.849 391 N CB -0.544 37.784 38.487 -0.265 0.000 1.012 391 N HN 0.333 nan 8.380 nan 0.000 0.423 392 W N 1.455 122.644 121.300 -0.186 0.000 2.355 392 W HA -0.003 4.657 4.660 -0.000 0.000 0.309 392 W C 2.307 178.678 176.519 -0.247 0.000 1.206 392 W CA 0.140 57.308 57.345 -0.295 0.000 1.284 392 W CB -1.333 28.017 29.460 -0.184 0.000 1.145 392 W HN -0.147 nan 8.180 nan 0.000 0.502 393 V N 0.946 120.920 119.914 0.100 0.000 2.317 393 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 393 V C 2.392 178.474 176.094 -0.021 0.000 1.065 393 V CA 2.285 64.612 62.300 0.044 0.000 1.049 393 V CB -0.712 31.140 31.823 0.048 0.000 0.651 393 V HN 0.080 nan 8.190 nan 0.000 0.450 394 E N -0.516 119.652 120.200 -0.053 0.000 2.158 394 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 394 E C 2.110 178.644 176.600 -0.109 0.000 0.982 394 E CA 0.936 57.293 56.400 -0.071 0.000 0.823 394 E CB -0.158 29.497 29.700 -0.074 0.000 0.766 394 E HN 0.626 nan 8.360 nan 0.000 0.468 395 I N 0.751 121.210 120.570 -0.186 0.000 2.202 395 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 395 I C 2.607 178.595 176.117 -0.215 0.000 1.091 395 I CA 1.009 62.141 61.300 -0.281 0.000 1.368 395 I CB -0.239 37.398 38.000 -0.604 0.000 1.058 395 I HN 0.038 nan 8.210 nan 0.000 0.410 396 Q N 1.429 121.112 119.800 -0.196 0.000 2.096 396 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 396 Q C 2.056 178.045 176.000 -0.018 0.000 0.982 396 Q CA 1.832 57.600 55.803 -0.058 0.000 0.850 396 Q CB -0.173 28.558 28.738 -0.012 0.000 0.901 396 Q HN 0.206 nan 8.270 nan 0.000 0.422 397 K N -0.663 119.720 120.400 -0.028 0.000 2.097 397 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 397 K C 1.840 178.435 176.600 -0.009 0.000 1.049 397 K CA 1.776 58.057 56.287 -0.010 0.000 0.933 397 K CB -0.990 31.503 32.500 -0.012 0.000 0.717 397 K HN 0.283 nan 8.250 nan 0.000 0.442 398 G N 0.769 109.551 108.800 -0.029 0.000 2.418 398 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 398 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 398 G C 1.377 176.276 174.900 -0.001 0.000 1.158 398 G CA 0.946 46.032 45.100 -0.023 0.000 0.771 398 G HN 0.329 nan 8.290 nan 0.000 0.545 399 L N -0.017 121.210 121.223 0.007 0.000 2.549 399 L HA 0.065 4.405 4.340 -0.000 0.000 0.229 399 L C 2.903 179.804 176.870 0.052 0.000 1.158 399 L CA 0.105 54.968 54.840 0.039 0.000 0.842 399 L CB -0.198 41.906 42.059 0.075 0.000 0.952 399 L HN 0.186 nan 8.230 nan 0.000 0.452 400 R N 0.331 120.857 120.500 0.044 0.000 2.152 400 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 400 R C 1.236 177.576 176.300 0.068 0.000 1.117 400 R CA 0.676 56.809 56.100 0.054 0.000 0.981 400 R CB -0.372 29.952 30.300 0.041 0.000 0.870 400 R HN 0.329 nan 8.270 nan 0.000 0.451 401 G N -0.476 108.359 108.800 0.058 0.000 2.406 401 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.251 401 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.251 401 G C 0.065 175.026 174.900 0.102 0.000 1.271 401 G CA -0.420 44.726 45.100 0.077 0.000 0.859 401 G HN 0.169 nan 8.290 nan 0.000 0.540 402 Y N 2.175 122.489 120.300 0.022 0.000 2.049 402 Y HA -0.160 4.390 4.550 0.000 0.000 0.277 402 Y C 2.508 178.422 175.900 0.023 0.000 1.143 402 Y CA 2.091 60.206 58.100 0.024 0.000 1.115 402 Y CB 0.110 38.581 38.460 0.018 0.000 0.975 402 Y HN 0.382 nan 8.280 nan 0.000 0.487 403 K N 0.568 120.886 120.400 -0.137 0.000 2.209 403 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 403 K C 2.177 178.683 176.600 -0.158 0.000 1.048 403 K CA 1.011 57.165 56.287 -0.221 0.000 0.940 403 K CB -0.848 31.641 32.500 -0.019 0.000 0.729 403 K HN 0.499 nan 8.250 nan 0.000 0.451 404 A N 1.063 123.833 122.820 -0.084 0.000 2.121 404 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 404 A C 1.566 179.114 177.584 -0.060 0.000 1.154 404 A CA 1.159 53.164 52.037 -0.053 0.000 0.679 404 A CB -0.061 18.929 19.000 -0.017 0.000 0.795 404 A HN 0.204 nan 8.150 nan 0.000 0.458 405 K N -0.237 120.100 120.400 -0.106 0.000 2.414 405 K HA 0.081 4.401 4.320 -0.000 0.000 0.204 405 K C 1.261 177.777 176.600 -0.140 0.000 1.026 405 K CA 0.623 56.862 56.287 -0.079 0.000 1.108 405 K CB 0.425 32.910 32.500 -0.026 0.000 0.855 405 K HN 0.551 nan 8.250 nan 0.000 0.517 406 S N -0.407 115.164 115.700 -0.216 0.000 2.492 406 S HA 0.096 4.566 4.470 -0.000 0.000 0.218 406 S C 0.640 175.173 174.600 -0.113 0.000 1.016 406 S CA -0.221 57.842 58.200 -0.229 0.000 0.916 406 S CB 0.243 63.221 63.200 -0.370 0.000 0.791 406 S HN 0.120 nan 8.310 nan 0.000 0.513 407 Q N 1.798 121.548 119.800 -0.084 0.000 2.375 407 Q HA 0.516 4.856 4.340 -0.000 0.000 0.271 407 Q C -2.870 173.108 176.000 -0.038 0.000 1.074 407 Q CA -2.637 53.135 55.803 -0.051 0.000 0.808 407 Q CB 2.091 30.802 28.738 -0.045 0.000 1.327 407 Q HN 0.208 nan 8.270 nan 0.000 0.441 408 P HA 0.052 nan 4.420 nan 0.000 0.270 408 P C -0.781 176.501 177.300 -0.030 0.000 1.223 408 P CA 0.066 63.145 63.100 -0.035 0.000 0.785 408 P CB 0.791 32.471 31.700 -0.034 0.000 0.923 409 L N 1.539 122.741 121.223 -0.036 0.000 2.360 409 L HA 0.338 4.678 4.340 -0.000 0.000 0.271 409 L C 1.120 177.973 176.870 -0.028 0.000 1.057 409 L CA -0.755 54.071 54.840 -0.024 0.000 0.803 409 L CB 0.615 42.669 42.059 -0.008 0.000 1.207 409 L HN 0.394 nan 8.230 nan 0.000 0.445 410 N N 1.842 120.536 118.700 -0.010 0.000 2.401 410 N HA 0.240 4.980 4.740 -0.000 0.000 0.255 410 N C -0.588 174.923 175.510 0.002 0.000 1.110 410 N CA -0.026 53.022 53.050 -0.005 0.000 0.949 410 N CB 1.458 39.949 38.487 0.007 0.000 1.110 410 N HN 0.698 nan 8.380 nan 0.000 0.490 411 A N 4.215 127.030 122.820 -0.009 0.000 3.113 411 A HA 0.202 4.522 4.320 -0.000 0.000 0.307 411 A C 0.586 178.168 177.584 -0.003 0.000 1.025 411 A CA -0.405 51.634 52.037 0.004 0.000 1.012 411 A CB 0.131 19.136 19.000 0.007 0.000 1.085 411 A HN 0.745 nan 8.150 nan 0.000 0.519 412 Q N -0.264 119.531 119.800 -0.009 0.000 2.247 412 Q HA 0.255 4.595 4.340 -0.000 0.000 0.204 412 Q C 0.378 176.365 176.000 -0.022 0.000 0.872 412 Q CA -0.113 55.682 55.803 -0.013 0.000 0.951 412 Q CB 0.377 29.109 28.738 -0.010 0.000 1.099 412 Q HN 0.788 nan 8.270 nan 0.000 0.501 413 M N 0.483 120.061 119.600 -0.036 0.000 2.268 413 M HA 0.149 4.629 4.480 -0.000 0.000 0.349 413 M C 0.629 176.904 176.300 -0.041 0.000 1.485 413 M CA 1.099 56.361 55.300 -0.063 0.000 1.094 413 M CB 0.259 32.773 32.600 -0.143 0.000 1.843 413 M HN 0.447 nan 8.290 nan 0.000 0.460 414 G N 4.134 112.924 108.800 -0.018 0.000 2.155 414 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 414 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 414 G C -0.237 174.660 174.900 -0.005 0.000 0.983 414 G CA 0.080 45.182 45.100 0.004 0.000 0.676 414 G HN 0.683 nan 8.290 nan 0.000 0.528 415 L N 0.870 122.086 121.223 -0.012 0.000 2.698 415 L HA 0.460 4.800 4.340 -0.000 0.000 0.272 415 L C 1.547 178.411 176.870 -0.011 0.000 1.154 415 L CA 1.722 56.552 54.840 -0.016 0.000 0.964 415 L CB -0.223 41.827 42.059 -0.016 0.000 1.272 415 L HN 1.562 nan 8.230 nan 0.000 0.483 416 G N 4.035 112.827 108.800 -0.013 0.000 2.132 416 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.234 416 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.234 416 G C 1.093 175.994 174.900 0.002 0.000 0.989 416 G CA 0.412 45.507 45.100 -0.008 0.000 0.676 416 G HN 0.632 nan 8.290 nan 0.000 0.522 417 R N -0.172 120.331 120.500 0.006 0.000 2.334 417 R HA 0.252 4.592 4.340 -0.000 0.000 0.212 417 R C 0.704 177.021 176.300 0.029 0.000 0.897 417 R CA 0.366 56.476 56.100 0.018 0.000 1.056 417 R CB 0.422 30.736 30.300 0.023 0.000 1.046 417 R HN 0.302 nan 8.270 nan 0.000 0.513 418 S N 1.925 117.637 115.700 0.019 0.000 2.545 418 S HA 0.133 4.603 4.470 -0.000 0.000 0.275 418 S C -0.254 174.375 174.600 0.048 0.000 1.299 418 S CA -0.469 57.748 58.200 0.029 0.000 1.048 418 S CB 1.171 64.370 63.200 -0.003 0.000 0.938 418 S HN 0.175 nan 8.310 nan 0.000 0.496 419 Q N 0.297 120.148 119.800 0.085 0.000 2.394 419 Q HA 0.536 4.876 4.340 -0.000 0.000 0.273 419 Q C 0.210 176.292 176.000 0.136 0.000 1.089 419 Q CA -0.994 54.868 55.803 0.099 0.000 0.812 419 Q CB 0.910 29.710 28.738 0.104 0.000 1.353 419 Q HN 0.544 nan 8.270 nan 0.000 0.438 420 T N -2.282 112.344 114.554 0.119 0.000 3.129 420 T HA 0.174 4.524 4.350 -0.000 0.000 0.251 420 T C 0.868 175.664 174.700 0.160 0.000 1.117 420 T CA 0.287 62.473 62.100 0.144 0.000 1.034 420 T CB -0.034 68.901 68.868 0.112 0.000 0.968 420 T HN 0.719 nan 8.240 nan 0.000 0.526 421 G N 1.207 110.094 108.800 0.146 0.000 4.232 421 G HA2 0.263 4.223 3.960 -0.000 0.000 0.304 421 G HA3 0.263 4.223 3.960 -0.000 0.000 0.304 421 G C -0.699 174.292 174.900 0.151 0.000 1.295 421 G CA -0.466 44.709 45.100 0.126 0.000 1.398 421 G HN 0.491 nan 8.290 nan 0.000 0.571 422 H N 2.958 122.100 119.070 0.120 0.000 2.476 422 H HA 0.279 4.835 4.556 -0.000 0.000 0.328 422 H C -1.439 173.944 175.328 0.093 0.000 1.073 422 H CA -1.625 54.505 56.048 0.137 0.000 1.229 422 H CB 2.793 32.691 29.762 0.227 0.000 1.432 422 H HN 0.205 nan 8.280 nan 0.000 0.477 423 P HA -0.047 nan 4.420 nan 0.000 0.230 423 P C 0.212 177.475 177.300 -0.062 0.000 1.158 423 P CA 0.841 63.878 63.100 -0.105 0.000 0.769 423 P CB 0.934 32.534 31.700 -0.168 0.000 0.807 424 D N -1.167 119.265 120.400 0.052 0.000 3.084 424 D HA 0.117 4.757 4.640 -0.000 0.000 0.294 424 D C 0.165 176.279 176.300 -0.310 0.000 1.165 424 D CA 0.512 54.375 54.000 -0.230 0.000 1.008 424 D CB 0.081 40.587 40.800 -0.489 0.000 1.266 424 D HN 0.147 nan 8.370 nan 0.000 0.449 425 F N 2.507 122.722 119.950 0.441 0.000 2.444 425 F HA 0.369 4.896 4.527 -0.000 0.000 0.342 425 F C -2.143 173.826 175.800 0.281 0.000 1.121 425 F CA -2.290 55.877 58.000 0.280 0.000 0.997 425 F CB 1.768 41.035 39.000 0.445 0.000 1.130 425 F HN -0.238 nan 8.300 nan 0.000 0.454 426 P HA 0.482 nan 4.420 nan 0.000 0.279 426 P C 0.217 177.773 177.300 0.426 0.000 1.239 426 P CA 0.149 63.416 63.100 0.277 0.000 0.789 426 P CB 1.620 33.391 31.700 0.118 0.000 0.933 427 G N 2.435 111.475 108.800 0.399 0.000 2.396 427 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.254 427 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.254 427 G C -0.810 174.303 174.900 0.354 0.000 1.248 427 G CA -0.759 44.622 45.100 0.469 0.000 1.033 427 G HN 0.620 nan 8.290 nan 0.000 0.502 428 N N 0.532 119.378 118.700 0.243 0.000 2.466 428 N HA 0.431 5.171 4.740 -0.000 0.000 0.263 428 N C -0.210 175.351 175.510 0.085 0.000 1.178 428 N CA 0.166 53.271 53.050 0.093 0.000 0.983 428 N CB 0.495 38.957 38.487 -0.042 0.000 1.331 428 N HN 0.624 nan 8.380 nan 0.000 0.500 429 V N 1.733 121.724 119.914 0.128 0.000 2.417 429 V HA 0.789 4.909 4.120 -0.000 0.000 0.291 429 V C 0.896 177.008 176.094 0.030 0.000 1.024 429 V CA -0.601 61.736 62.300 0.062 0.000 0.861 429 V CB 1.354 33.188 31.823 0.020 0.000 0.985 429 V HN 0.621 nan 8.190 nan 0.000 0.436 430 G N 2.281 111.053 108.800 -0.046 0.000 3.135 430 G HA2 0.481 4.441 3.960 -0.000 0.000 0.278 430 G HA3 0.481 4.441 3.960 -0.000 0.000 0.278 430 G C -1.570 173.319 174.900 -0.018 0.000 1.302 430 G CA -0.655 44.445 45.100 -0.000 0.000 0.880 430 G HN 0.381 nan 8.290 nan 0.000 0.574 431 Y N -0.190 120.036 120.300 -0.124 0.000 2.379 431 Y HA 0.289 4.839 4.550 -0.000 0.000 0.337 431 Y C 1.590 177.340 175.900 -0.251 0.000 1.238 431 Y CA -0.107 57.895 58.100 -0.162 0.000 1.405 431 Y CB 1.661 40.067 38.460 -0.090 0.000 1.310 431 Y HN 0.230 nan 8.280 nan 0.000 0.569 432 V N 5.654 125.040 119.914 -0.879 0.000 2.548 432 V HA -0.183 3.937 4.120 -0.000 0.000 0.249 432 V C -0.137 175.514 176.094 -0.738 0.000 1.055 432 V CA 1.251 63.015 62.300 -0.892 0.000 1.065 432 V CB -0.636 30.585 31.823 -1.004 0.000 0.681 432 V HN 0.626 nan 8.190 nan 0.000 0.462 433 Y N 1.399 121.181 120.300 -0.862 0.000 2.691 433 Y HA 0.726 5.276 4.550 -0.000 0.000 0.338 433 Y C 0.348 176.039 175.900 -0.349 0.000 1.148 433 Y CA -0.556 57.258 58.100 -0.478 0.000 1.430 433 Y CB -0.339 37.913 38.460 -0.347 0.000 1.303 433 Y HN 0.281 nan 8.280 nan 0.000 0.499 434 A N 1.363 124.105 122.820 -0.129 0.000 2.583 434 A HA 0.793 5.113 4.320 -0.000 0.000 0.289 434 A C -0.288 177.250 177.584 -0.077 0.000 1.151 434 A CA -0.919 51.061 52.037 -0.095 0.000 0.695 434 A CB 1.344 20.306 19.000 -0.063 0.000 1.290 434 A HN 0.520 nan 8.150 nan 0.000 0.419 435 E N -0.348 119.819 120.200 -0.056 0.000 3.157 435 E HA 0.116 4.465 4.350 -0.000 0.000 0.203 435 E C 0.172 176.757 176.600 -0.024 0.000 0.982 435 E CA -0.086 56.301 56.400 -0.022 0.000 1.217 435 E CB 0.988 30.686 29.700 -0.002 0.000 1.123 435 E HN 0.654 nan 8.360 nan 0.000 0.457 436 E N 1.301 121.471 120.200 -0.050 0.000 2.046 436 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 436 E C 1.924 178.470 176.600 -0.090 0.000 0.982 436 E CA 1.532 57.892 56.400 -0.068 0.000 0.800 436 E CB -0.004 29.648 29.700 -0.079 0.000 0.756 436 E HN 0.281 nan 8.360 nan 0.000 0.449 437 A N 0.913 123.671 122.820 -0.103 0.000 1.940 437 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 437 A C 2.426 179.953 177.584 -0.094 0.000 1.176 437 A CA 2.171 54.135 52.037 -0.121 0.000 0.631 437 A CB -1.041 17.906 19.000 -0.088 0.000 0.814 437 A HN 0.383 nan 8.150 nan 0.000 0.446 438 A N -0.408 122.381 122.820 -0.050 0.000 1.877 438 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 438 A C 2.252 179.852 177.584 0.027 0.000 1.186 438 A CA 1.505 53.517 52.037 -0.041 0.000 0.620 438 A CB -0.473 18.565 19.000 0.064 0.000 0.822 438 A HN 0.525 nan 8.150 nan 0.000 0.443 439 R N -0.857 119.674 120.500 0.052 0.000 2.096 439 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 439 R C 2.375 178.699 176.300 0.039 0.000 1.127 439 R CA 1.066 57.210 56.100 0.073 0.000 0.968 439 R CB -0.608 29.699 30.300 0.011 0.000 0.861 439 R HN 0.558 nan 8.270 nan 0.000 0.440 440 G N 0.967 109.740 108.800 -0.046 0.000 2.480 440 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.216 440 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.216 440 G C 1.378 176.208 174.900 -0.118 0.000 1.200 440 G CA 0.752 45.800 45.100 -0.088 0.000 0.782 440 G HN 0.195 nan 8.290 nan 0.000 0.554 441 M N -0.636 118.849 119.600 -0.190 0.000 2.082 441 M HA -0.119 4.361 4.480 -0.000 0.000 0.258 441 M C 2.473 178.639 176.300 -0.223 0.000 1.069 441 M CA 1.610 56.748 55.300 -0.270 0.000 1.102 441 M CB -0.208 32.227 32.600 -0.274 0.000 1.336 441 M HN 0.439 nan 8.290 nan 0.000 0.404 442 Y N -1.885 118.394 120.300 -0.036 0.000 2.373 442 Y HA -0.249 4.301 4.550 -0.000 0.000 0.293 442 Y C 2.417 178.355 175.900 0.064 0.000 1.129 442 Y CA 1.402 59.483 58.100 -0.031 0.000 1.226 442 Y CB -0.441 37.944 38.460 -0.124 0.000 1.000 442 Y HN 0.445 nan 8.280 nan 0.000 0.549 443 H N -0.979 118.132 119.070 0.068 0.000 2.326 443 H HA -0.184 4.372 4.556 -0.000 0.000 0.301 443 H C 2.359 177.640 175.328 -0.078 0.000 1.081 443 H CA 2.100 58.149 56.048 0.002 0.000 1.334 443 H CB -0.412 29.328 29.762 -0.037 0.000 1.385 443 H HN 0.314 nan 8.280 nan 0.000 0.504 444 H N -1.204 117.646 119.070 -0.367 0.000 2.353 444 H HA -0.185 4.371 4.556 -0.000 0.000 0.300 444 H C 1.989 177.000 175.328 -0.528 0.000 1.090 444 H CA 1.552 57.224 56.048 -0.628 0.000 1.327 444 H CB -0.485 28.713 29.762 -0.941 0.000 1.383 444 H HN 0.591 nan 8.280 nan 0.000 0.508 445 W N 1.548 122.538 121.300 -0.517 0.000 2.318 445 W HA -0.272 4.387 4.660 -0.000 0.000 0.313 445 W C 2.710 179.074 176.519 -0.258 0.000 1.221 445 W CA 2.124 59.342 57.345 -0.212 0.000 1.266 445 W CB -0.405 29.084 29.460 0.047 0.000 1.150 445 W HN 0.120 nan 8.180 nan 0.000 0.496 446 M N 1.073 120.630 119.600 -0.071 0.000 2.149 446 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 446 M C 1.794 177.826 176.300 -0.448 0.000 1.064 446 M CA 1.959 57.099 55.300 -0.266 0.000 1.102 446 M CB -0.753 31.820 32.600 -0.044 0.000 1.369 446 M HN 0.161 nan 8.290 nan 0.000 0.408 447 R N -0.547 119.643 120.500 -0.515 0.000 2.073 447 R HA -0.001 4.339 4.340 -0.000 0.000 0.229 447 R C 2.322 178.317 176.300 -0.509 0.000 1.120 447 R CA 1.487 57.295 56.100 -0.486 0.000 0.967 447 R CB -0.283 29.720 30.300 -0.495 0.000 0.862 447 R HN 0.437 nan 8.270 nan 0.000 0.436 448 M N -0.048 119.165 119.600 -0.645 0.000 2.159 448 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 448 M C 2.111 178.095 176.300 -0.527 0.000 1.063 448 M CA 1.419 56.368 55.300 -0.585 0.000 1.110 448 M CB -0.105 32.174 32.600 -0.535 0.000 1.374 448 M HN 0.139 nan 8.290 nan 0.000 0.411 449 M N -0.521 118.692 119.600 -0.644 0.000 2.319 449 M HA -0.072 4.408 4.480 -0.000 0.000 0.265 449 M C 2.256 178.302 176.300 -0.423 0.000 1.068 449 M CA 1.555 56.480 55.300 -0.626 0.000 1.118 449 M CB -0.842 31.156 32.600 -1.003 0.000 1.395 449 M HN 0.338 nan 8.290 nan 0.000 0.435 450 S N -1.206 114.268 115.700 -0.376 0.000 2.499 450 S HA 0.120 4.590 4.470 -0.000 0.000 0.225 450 S C 0.586 175.061 174.600 -0.209 0.000 1.050 450 S CA -0.337 57.713 58.200 -0.249 0.000 0.928 450 S CB -0.069 63.007 63.200 -0.208 0.000 0.803 450 S HN 0.415 nan 8.310 nan 0.000 0.506 451 E N 3.550 123.600 120.200 -0.249 0.000 2.001 451 E HA 0.231 4.581 4.350 -0.000 0.000 0.279 451 E C -1.934 174.511 176.600 -0.259 0.000 1.045 451 E CA -2.145 54.126 56.400 -0.215 0.000 0.833 451 E CB 1.079 30.657 29.700 -0.203 0.000 1.077 451 E HN 0.366 nan 8.360 nan 0.000 0.397 452 P HA -0.075 nan 4.420 nan 0.000 0.233 452 P C 0.204 177.373 177.300 -0.219 0.000 1.167 452 P CA 0.530 63.508 63.100 -0.202 0.000 0.770 452 P CB 0.543 32.167 31.700 -0.127 0.000 0.837 453 S N -1.102 114.483 115.700 -0.192 0.000 2.519 453 S HA 0.290 4.760 4.470 -0.000 0.000 0.309 453 S C 0.211 174.758 174.600 -0.088 0.000 1.100 453 S CA -0.731 57.401 58.200 -0.113 0.000 1.059 453 S CB 0.274 63.457 63.200 -0.029 0.000 1.008 453 S HN -0.019 nan 8.310 nan 0.000 0.478 454 W N 3.504 124.822 121.300 0.029 0.000 2.480 454 W HA -0.093 4.566 4.660 -0.000 0.000 0.257 454 W C 2.289 178.824 176.519 0.027 0.000 1.235 454 W CA 0.671 58.045 57.345 0.049 0.000 1.218 454 W CB -0.071 29.420 29.460 0.051 0.000 1.131 454 W HN 0.904 nan 8.180 nan 0.000 0.606 455 A N 0.028 122.968 122.820 0.200 0.000 1.902 455 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 455 A C 2.019 179.659 177.584 0.093 0.000 1.181 455 A CA 2.455 54.565 52.037 0.121 0.000 0.623 455 A CB -1.204 17.841 19.000 0.074 0.000 0.818 455 A HN 0.323 nan 8.150 nan 0.000 0.443 456 T N -3.057 111.539 114.554 0.071 0.000 3.031 456 T HA 0.173 4.523 4.350 -0.000 0.000 0.254 456 T C 1.853 176.613 174.700 0.099 0.000 1.060 456 T CA 0.844 62.978 62.100 0.056 0.000 1.135 456 T CB -0.283 68.593 68.868 0.013 0.000 0.896 456 T HN 0.210 nan 8.240 nan 0.000 0.472 457 L N 1.138 122.430 121.223 0.116 0.000 2.109 457 L HA 0.158 4.498 4.340 -0.000 0.000 0.207 457 L C 1.252 178.434 176.870 0.519 0.000 1.086 457 L CA 0.577 55.543 54.840 0.210 0.000 0.760 457 L CB -0.248 41.741 42.059 -0.118 0.000 0.910 457 L HN 0.398 nan 8.230 nan 0.000 0.437 458 K N 0.930 121.563 120.400 0.389 0.000 2.336 458 K HA 0.174 4.494 4.320 -0.000 0.000 0.262 458 K C -2.346 173.983 176.600 -0.452 0.000 0.992 458 K CA -1.266 55.037 56.287 0.027 0.000 0.927 458 K CB -0.533 31.983 32.500 0.027 0.000 0.956 458 K HN -0.077 nan 8.250 nan 0.000 0.495 459 P HA 0.000 nan 4.420 nan 0.000 0.216 459 P CA 0.000 62.620 63.100 -0.801 0.000 0.800 459 P CB 0.000 31.176 31.700 -0.874 0.000 0.726