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 2xso_1_M 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 0.000 175.406 175.510 -0.173 0.000 1.280 18 N CA 0.000 53.043 53.050 -0.012 0.000 0.885 18 N CB 0.000 38.465 38.487 -0.036 0.000 1.341 19 W N 1.849 123.146 121.300 -0.004 0.000 2.715 19 W HA 0.424 5.083 4.660 -0.001 0.000 0.331 19 W C -0.049 176.453 176.519 -0.028 0.000 1.031 19 W CA -0.534 56.804 57.345 -0.011 0.000 1.237 19 W CB 1.878 31.334 29.460 -0.008 0.000 1.378 19 W HN 0.492 nan 8.180 nan 0.000 0.454 20 T N 0.397 115.050 114.554 0.164 0.000 2.922 20 T HA 0.335 4.684 4.350 -0.001 0.000 0.285 20 T C -1.849 172.906 174.700 0.092 0.000 1.005 20 T CA -1.884 60.268 62.100 0.086 0.000 1.061 20 T CB 1.869 70.753 68.868 0.028 0.000 1.007 20 T HN 0.067 nan 8.240 nan 0.000 0.502 21 P HA -0.143 nan 4.420 nan 0.000 0.217 21 P C 1.185 178.492 177.300 0.012 0.000 1.151 21 P CA 1.188 64.284 63.100 -0.007 0.000 0.849 21 P CB 0.088 31.769 31.700 -0.031 0.000 0.787 22 E N -0.478 119.737 120.200 0.025 0.000 2.031 22 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 22 E C 2.192 178.831 176.600 0.065 0.000 0.994 22 E CA 1.651 58.069 56.400 0.030 0.000 0.800 22 E CB -1.175 28.536 29.700 0.019 0.000 0.752 22 E HN 0.154 nan 8.360 nan 0.000 0.447 23 A N 0.392 123.277 122.820 0.108 0.000 1.930 23 A HA -0.130 4.189 4.320 -0.001 0.000 0.217 23 A C 2.245 180.001 177.584 0.287 0.000 1.175 23 A CA 1.089 53.245 52.037 0.199 0.000 0.627 23 A CB -0.587 18.534 19.000 0.202 0.000 0.815 23 A HN 0.195 nan 8.150 nan 0.000 0.443 24 I N -0.894 119.809 120.570 0.222 0.000 2.315 24 I HA -0.234 3.936 4.170 -0.001 0.000 0.248 24 I C 2.704 178.833 176.117 0.020 0.000 1.117 24 I CA 1.012 62.356 61.300 0.074 0.000 1.404 24 I CB -0.247 37.720 38.000 -0.054 0.000 1.071 24 I HN 0.284 nan 8.210 nan 0.000 0.419 25 R N 0.418 120.926 120.500 0.013 0.000 2.105 25 R HA -0.132 4.208 4.340 -0.001 0.000 0.239 25 R C 2.212 178.537 176.300 0.042 0.000 1.135 25 R CA 1.472 57.575 56.100 0.005 0.000 0.967 25 R CB -0.697 29.602 30.300 -0.001 0.000 0.861 25 R HN 0.427 nan 8.270 nan 0.000 0.442 26 G N 0.389 109.229 108.800 0.066 0.000 2.679 26 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.212 26 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.212 26 G C 1.308 176.250 174.900 0.070 0.000 1.137 26 G CA 0.008 45.149 45.100 0.068 0.000 0.787 26 G HN 0.138 nan 8.290 nan 0.000 0.534 27 L N -0.263 121.009 121.223 0.081 0.000 2.179 27 L HA 0.141 4.481 4.340 -0.001 0.000 0.208 27 L C 0.375 177.242 176.870 -0.006 0.000 1.096 27 L CA 0.353 55.223 54.840 0.049 0.000 0.779 27 L CB 0.149 42.251 42.059 0.071 0.000 0.922 27 L HN -0.044 nan 8.230 nan 0.000 0.443 28 V N -0.272 119.664 119.914 0.037 0.000 2.483 28 V HA 0.288 4.407 4.120 -0.001 0.000 0.297 28 V C -1.143 174.980 176.094 0.048 0.000 1.027 28 V CA -0.734 61.578 62.300 0.020 0.000 0.855 28 V CB 1.989 33.870 31.823 0.097 0.000 0.995 28 V HN -0.048 nan 8.190 nan 0.000 0.424 29 D N 3.507 123.918 120.400 0.018 0.000 2.440 29 D HA 0.310 4.950 4.640 -0.001 0.000 0.239 29 D C 0.705 177.016 176.300 0.017 0.000 1.084 29 D CA -0.391 53.625 54.000 0.026 0.000 0.843 29 D CB 2.095 42.899 40.800 0.006 0.000 1.097 29 D HN 0.698 nan 8.370 nan 0.000 0.531 30 Q N 2.216 122.028 119.800 0.020 0.000 2.392 30 Q HA 0.085 4.424 4.340 -0.001 0.000 0.203 30 Q C 0.559 176.528 176.000 -0.051 0.000 0.917 30 Q CA 0.363 56.150 55.803 -0.027 0.000 0.939 30 Q CB 0.434 29.118 28.738 -0.090 0.000 1.063 30 Q HN 0.237 nan 8.270 nan 0.000 0.516 31 E N 1.934 122.112 120.200 -0.037 0.000 2.112 31 E HA -0.061 4.289 4.350 -0.001 0.000 0.190 31 E C 1.355 177.942 176.600 -0.023 0.000 0.979 31 E CA 0.991 57.371 56.400 -0.034 0.000 0.814 31 E CB 0.110 29.796 29.700 -0.023 0.000 0.762 31 E HN 0.462 nan 8.360 nan 0.000 0.460 32 K N -0.557 119.833 120.400 -0.016 0.000 2.308 32 K HA 0.146 4.465 4.320 -0.001 0.000 0.197 32 K C 0.591 177.182 176.600 -0.015 0.000 1.049 32 K CA 0.560 56.839 56.287 -0.013 0.000 0.991 32 K CB 0.750 33.244 32.500 -0.010 0.000 0.836 32 K HN 0.181 nan 8.250 nan 0.000 0.500 33 G N 2.253 111.044 108.800 -0.015 0.000 2.401 33 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.283 33 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.283 33 G C -0.544 174.342 174.900 -0.023 0.000 1.117 33 G CA -0.232 44.860 45.100 -0.014 0.000 1.051 33 G HN 0.102 nan 8.290 nan 0.000 0.510 34 L N 0.097 121.300 121.223 -0.032 0.000 2.409 34 L HA 0.673 5.013 4.340 -0.001 0.000 0.272 34 L C 0.170 176.989 176.870 -0.085 0.000 0.980 34 L CA -0.987 53.825 54.840 -0.047 0.000 0.826 34 L CB 1.966 44.007 42.059 -0.030 0.000 1.268 34 L HN 0.157 nan 8.230 nan 0.000 0.407 35 L N 2.497 123.644 121.223 -0.127 0.000 2.343 35 L HA 0.400 4.740 4.340 -0.001 0.000 0.278 35 L C -0.199 176.568 176.870 -0.172 0.000 0.996 35 L CA -0.625 54.079 54.840 -0.227 0.000 0.831 35 L CB 1.831 43.639 42.059 -0.419 0.000 1.232 35 L HN 0.496 nan 8.230 nan 0.000 0.413 36 D N 5.308 125.611 120.400 -0.161 0.000 2.412 36 D HA 0.041 4.681 4.640 -0.001 0.000 0.257 36 D C -1.661 174.546 176.300 -0.155 0.000 1.217 36 D CA -1.127 52.807 54.000 -0.110 0.000 0.897 36 D CB 1.705 42.468 40.800 -0.061 0.000 1.132 36 D HN 0.276 nan 8.370 nan 0.000 0.493 37 P HA -0.001 nan 4.420 nan 0.000 0.230 37 P C 0.981 178.304 177.300 0.040 0.000 1.158 37 P CA 0.545 63.680 63.100 0.058 0.000 0.769 37 P CB 0.234 31.977 31.700 0.072 0.000 0.807 38 R N 0.053 120.530 120.500 -0.038 0.000 2.280 38 R HA 0.012 4.352 4.340 -0.001 0.000 0.207 38 R C 2.205 178.422 176.300 -0.138 0.000 1.043 38 R CA 0.718 56.808 56.100 -0.016 0.000 1.006 38 R CB -0.871 29.467 30.300 0.063 0.000 0.885 38 R HN 0.354 nan 8.270 nan 0.000 0.467 39 I N -2.462 117.889 120.570 -0.366 0.000 2.454 39 I HA -0.242 3.927 4.170 -0.001 0.000 0.254 39 I C 0.966 176.708 176.117 -0.625 0.000 1.156 39 I CA 1.497 62.432 61.300 -0.608 0.000 1.433 39 I CB -0.327 37.025 38.000 -1.081 0.000 1.082 39 I HN 0.008 nan 8.210 nan 0.000 0.432 40 Y N 0.887 120.975 120.300 -0.353 0.000 2.466 40 Y HA 0.506 5.055 4.550 -0.001 0.000 0.272 40 Y C 2.231 178.057 175.900 -0.123 0.000 1.169 40 Y CA 0.249 58.141 58.100 -0.348 0.000 1.285 40 Y CB 0.025 38.216 38.460 -0.448 0.000 1.078 40 Y HN 0.234 nan 8.280 nan 0.000 0.523 41 A N -1.343 121.516 122.820 0.065 0.000 1.977 41 A HA 0.045 4.364 4.320 -0.001 0.000 0.197 41 A C 0.398 178.035 177.584 0.088 0.000 1.554 41 A CA -0.207 51.883 52.037 0.088 0.000 1.037 41 A CB 0.128 19.190 19.000 0.103 0.000 1.083 41 A HN 0.168 nan 8.150 nan 0.000 0.471 42 D N 0.272 120.723 120.400 0.085 0.000 2.425 42 D HA 0.095 4.735 4.640 -0.001 0.000 0.247 42 D C 0.804 177.196 176.300 0.153 0.000 1.147 42 D CA 0.165 54.243 54.000 0.130 0.000 0.879 42 D CB 1.405 42.289 40.800 0.140 0.000 1.179 42 D HN 0.251 nan 8.370 nan 0.000 0.456 43 Q N 2.265 122.167 119.800 0.170 0.000 2.046 43 Q HA -0.135 4.205 4.340 -0.001 0.000 0.200 43 Q C 1.842 177.973 176.000 0.219 0.000 0.975 43 Q CA 1.596 57.514 55.803 0.192 0.000 0.836 43 Q CB -0.142 28.689 28.738 0.154 0.000 0.896 43 Q HN 0.444 nan 8.270 nan 0.000 0.428 44 S N 0.221 116.050 115.700 0.215 0.000 2.353 44 S HA -0.161 4.309 4.470 -0.001 0.000 0.222 44 S C 1.838 176.499 174.600 0.103 0.000 1.035 44 S CA 1.422 59.751 58.200 0.214 0.000 1.025 44 S CB -0.519 62.914 63.200 0.389 0.000 0.902 44 S HN 0.393 nan 8.310 nan 0.000 0.440 45 L N -0.179 121.030 121.223 -0.023 0.000 2.043 45 L HA -0.203 4.137 4.340 -0.001 0.000 0.212 45 L C 2.394 179.323 176.870 0.099 0.000 1.075 45 L CA 1.773 56.540 54.840 -0.122 0.000 0.752 45 L CB -0.574 41.364 42.059 -0.201 0.000 0.891 45 L HN 0.365 nan 8.230 nan 0.000 0.432 46 Y N 1.014 121.374 120.300 0.100 0.000 2.163 46 Y HA -0.247 4.302 4.550 -0.001 0.000 0.288 46 Y C 2.439 178.422 175.900 0.139 0.000 1.136 46 Y CA 1.705 59.913 58.100 0.179 0.000 1.147 46 Y CB -0.190 38.367 38.460 0.162 0.000 0.987 46 Y HN 0.186 nan 8.280 nan 0.000 0.509 47 E N -0.312 119.898 120.200 0.015 0.000 2.085 47 E HA -0.224 4.125 4.350 -0.001 0.000 0.194 47 E C 1.969 178.506 176.600 -0.105 0.000 0.994 47 E CA 1.368 57.727 56.400 -0.069 0.000 0.801 47 E CB -0.270 29.460 29.700 0.050 0.000 0.743 47 E HN 0.307 nan 8.360 nan 0.000 0.453 48 L N 1.184 122.373 121.223 -0.058 0.000 2.131 48 L HA -0.142 4.197 4.340 -0.001 0.000 0.210 48 L C 2.000 178.813 176.870 -0.096 0.000 1.092 48 L CA 1.601 56.395 54.840 -0.077 0.000 0.759 48 L CB -0.846 41.157 42.059 -0.093 0.000 0.903 48 L HN 0.156 nan 8.230 nan 0.000 0.435 49 E N -0.703 119.459 120.200 -0.062 0.000 2.150 49 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 49 E C 2.337 178.976 176.600 0.064 0.000 0.985 49 E CA 0.575 57.001 56.400 0.043 0.000 0.814 49 E CB 0.017 29.909 29.700 0.320 0.000 0.752 49 E HN 0.426 nan 8.360 nan 0.000 0.466 50 L N 0.610 121.771 121.223 -0.102 0.000 2.109 50 L HA -0.151 4.189 4.340 -0.001 0.000 0.207 50 L C 2.620 179.496 176.870 0.010 0.000 1.086 50 L CA 1.087 55.891 54.840 -0.059 0.000 0.760 50 L CB -0.300 41.614 42.059 -0.242 0.000 0.910 50 L HN 0.192 nan 8.230 nan 0.000 0.437 51 E N 0.249 120.426 120.200 -0.039 0.000 2.008 51 E HA -0.175 4.175 4.350 -0.001 0.000 0.191 51 E C 2.330 178.917 176.600 -0.022 0.000 0.986 51 E CA 0.799 57.181 56.400 -0.030 0.000 0.807 51 E CB 0.160 29.830 29.700 -0.051 0.000 0.766 51 E HN 0.244 nan 8.360 nan 0.000 0.450 52 R N 0.045 120.502 120.500 -0.071 0.000 2.153 52 R HA 0.024 4.364 4.340 -0.001 0.000 0.218 52 R C 2.097 178.327 176.300 -0.117 0.000 1.072 52 R CA 0.554 56.580 56.100 -0.123 0.000 0.990 52 R CB 0.241 30.421 30.300 -0.199 0.000 0.889 52 R HN 0.214 nan 8.270 nan 0.000 0.452 53 V N -0.734 119.114 119.914 -0.109 0.000 2.784 53 V HA 0.006 4.125 4.120 -0.001 0.000 0.231 53 V C 1.746 177.715 176.094 -0.209 0.000 1.128 53 V CA 0.778 62.969 62.300 -0.182 0.000 1.178 53 V CB -0.469 31.167 31.823 -0.313 0.000 0.943 53 V HN -0.011 nan 8.190 nan 0.000 0.500 54 F N 1.807 121.705 119.950 -0.086 0.000 2.234 54 F HA 0.043 4.570 4.527 -0.001 0.000 0.299 54 F C 2.346 178.183 175.800 0.061 0.000 1.087 54 F CA 1.440 59.393 58.000 -0.078 0.000 1.340 54 F CB -0.820 38.079 39.000 -0.167 0.000 1.031 54 F HN 0.271 nan 8.300 nan 0.000 0.500 55 G N 0.209 109.153 108.800 0.239 0.000 2.708 55 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.210 55 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.210 55 G C 1.258 176.329 174.900 0.286 0.000 1.141 55 G CA 0.498 45.766 45.100 0.280 0.000 0.788 55 G HN 0.491 nan 8.290 nan 0.000 0.531 56 R N -1.453 119.177 120.500 0.217 0.000 2.496 56 R HA 0.277 4.617 4.340 -0.001 0.000 0.369 56 R C -0.061 176.364 176.300 0.207 0.000 0.896 56 R CA -0.286 55.966 56.100 0.255 0.000 1.147 56 R CB 0.073 30.637 30.300 0.441 0.000 1.697 56 R HN 0.068 nan 8.270 nan 0.000 0.518 57 S N 0.846 116.617 115.700 0.118 0.000 2.652 57 S HA 0.287 4.756 4.470 -0.001 0.000 0.270 57 S C -0.891 173.577 174.600 -0.220 0.000 1.243 57 S CA -0.575 57.676 58.200 0.085 0.000 0.999 57 S CB 0.590 63.887 63.200 0.161 0.000 0.973 57 S HN 0.210 nan 8.310 nan 0.000 0.544 58 W N 2.113 123.176 121.300 -0.394 0.000 2.388 58 W HA 0.457 5.117 4.660 -0.001 0.000 0.308 58 W C -0.688 175.915 176.519 0.141 0.000 1.263 58 W CA -0.278 56.913 57.345 -0.257 0.000 1.286 58 W CB -0.022 29.071 29.460 -0.611 0.000 1.294 58 W HN 0.284 nan 8.180 nan 0.000 0.493 59 L N 5.194 126.623 121.223 0.343 0.000 2.313 59 L HA 0.371 4.711 4.340 -0.001 0.000 0.283 59 L C -0.129 176.778 176.870 0.062 0.000 1.013 59 L CA -1.326 53.646 54.840 0.220 0.000 0.816 59 L CB 0.992 43.089 42.059 0.062 0.000 1.236 59 L HN 0.194 nan 8.230 nan 0.000 0.419 60 L N 3.653 124.777 121.223 -0.165 0.000 2.462 60 L HA 0.083 4.423 4.340 -0.001 0.000 0.272 60 L C 0.446 177.167 176.870 -0.248 0.000 1.166 60 L CA 0.885 55.389 54.840 -0.559 0.000 0.880 60 L CB 0.399 42.179 42.059 -0.466 0.000 1.142 60 L HN 0.623 nan 8.230 nan 0.000 0.473 61 L N 4.447 125.530 121.223 -0.235 0.000 2.537 61 L HA 0.472 4.812 4.340 -0.001 0.000 0.224 61 L C 1.090 177.901 176.870 -0.098 0.000 1.065 61 L CA 0.482 55.251 54.840 -0.118 0.000 0.860 61 L CB 0.048 42.039 42.059 -0.113 0.000 1.086 61 L HN 0.916 nan 8.230 nan 0.000 0.482 62 G N -1.567 107.167 108.800 -0.109 0.000 2.480 62 G HA2 0.026 3.986 3.960 -0.001 0.000 0.109 62 G HA3 0.026 3.986 3.960 -0.001 0.000 0.109 62 G C -1.667 173.253 174.900 0.033 0.000 1.172 62 G CA -0.582 44.446 45.100 -0.121 0.000 1.091 62 G HN 0.033 nan 8.290 nan 0.000 0.464 63 H N 0.545 119.619 119.070 0.007 0.000 2.930 63 H HA 0.440 4.995 4.556 -0.001 0.000 0.371 63 H C 0.799 176.083 175.328 -0.072 0.000 1.169 63 H CA -0.107 55.900 56.048 -0.068 0.000 1.157 63 H CB 2.275 31.918 29.762 -0.198 0.000 1.789 63 H HN 0.595 nan 8.280 nan 0.000 0.547 64 E N 1.183 121.202 120.200 -0.302 0.000 2.171 64 E HA -0.166 4.183 4.350 -0.001 0.000 0.197 64 E C 1.656 178.282 176.600 0.043 0.000 0.997 64 E CA 1.775 58.109 56.400 -0.110 0.000 0.810 64 E CB 0.246 29.835 29.700 -0.185 0.000 0.738 64 E HN 0.604 nan 8.360 nan 0.000 0.467 65 S N -0.244 115.582 115.700 0.211 0.000 2.474 65 S HA -0.146 4.323 4.470 -0.001 0.000 0.235 65 S C 1.542 176.118 174.600 -0.040 0.000 0.997 65 S CA 0.886 59.116 58.200 0.051 0.000 0.949 65 S CB -0.434 62.748 63.200 -0.031 0.000 0.766 65 S HN 0.399 nan 8.310 nan 0.000 0.517 66 H N 0.993 120.073 119.070 0.016 0.000 2.428 66 H HA 0.133 4.689 4.556 -0.001 0.000 0.296 66 H C 0.819 176.114 175.328 -0.055 0.000 1.062 66 H CA 1.111 57.124 56.048 -0.059 0.000 1.350 66 H CB 0.238 29.931 29.762 -0.115 0.000 1.403 66 H HN 0.467 nan 8.280 nan 0.000 0.533 67 V N -0.976 118.991 119.914 0.088 0.000 2.326 67 V HA 0.220 4.340 4.120 -0.001 0.000 0.254 67 V C -2.205 173.909 176.094 0.033 0.000 1.022 67 V CA -1.462 60.865 62.300 0.046 0.000 1.074 67 V CB 1.127 32.986 31.823 0.059 0.000 1.305 67 V HN 0.070 nan 8.190 nan 0.000 0.506 68 P HA 0.012 nan 4.420 nan 0.000 0.215 68 P C 0.427 177.737 177.300 0.017 0.000 1.157 68 P CA 1.299 64.408 63.100 0.014 0.000 0.859 68 P CB 0.553 32.256 31.700 0.005 0.000 0.786 69 E N -0.275 119.935 120.200 0.017 0.000 2.254 69 E HA 0.214 4.564 4.350 -0.001 0.000 0.261 69 E C 0.008 176.631 176.600 0.039 0.000 1.051 69 E CA -0.509 55.903 56.400 0.021 0.000 0.902 69 E CB -0.053 29.655 29.700 0.012 0.000 1.168 69 E HN -0.104 nan 8.360 nan 0.000 0.423 70 T N 0.934 115.511 114.554 0.039 0.000 2.822 70 T HA 0.237 4.587 4.350 -0.001 0.000 0.288 70 T C 1.107 175.848 174.700 0.067 0.000 0.991 70 T CA 1.268 63.400 62.100 0.053 0.000 1.176 70 T CB -0.098 68.793 68.868 0.039 0.000 0.951 70 T HN 0.705 nan 8.240 nan 0.000 0.526 71 G N 3.497 112.360 108.800 0.106 0.000 2.179 71 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.260 71 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.260 71 G C -0.131 174.894 174.900 0.208 0.000 0.977 71 G CA -0.193 44.992 45.100 0.142 0.000 0.641 71 G HN 0.702 nan 8.290 nan 0.000 0.533 72 D N 0.649 121.131 120.400 0.136 0.000 2.390 72 D HA 0.536 5.175 4.640 -0.001 0.000 0.249 72 D C 0.580 176.979 176.300 0.166 0.000 1.144 72 D CA 0.360 54.397 54.000 0.062 0.000 0.880 72 D CB 0.350 41.150 40.800 -0.001 0.000 1.182 72 D HN 0.452 nan 8.370 nan 0.000 0.451 73 F N 0.574 120.591 119.950 0.112 0.000 2.577 73 F HA 0.699 5.225 4.527 -0.001 0.000 0.318 73 F C -1.421 174.405 175.800 0.045 0.000 1.065 73 F CA -1.502 56.566 58.000 0.114 0.000 0.929 73 F CB 1.036 40.184 39.000 0.247 0.000 1.237 73 F HN 0.091 nan 8.300 nan 0.000 0.468 74 L N 2.705 124.043 121.223 0.192 0.000 2.381 74 L HA 0.837 5.177 4.340 -0.001 0.000 0.274 74 L C -0.808 176.134 176.870 0.121 0.000 0.988 74 L CA -0.735 54.161 54.840 0.092 0.000 0.824 74 L CB 1.646 43.686 42.059 -0.031 0.000 1.263 74 L HN 1.011 nan 8.230 nan 0.000 0.410 75 A N 3.470 126.389 122.820 0.164 0.000 2.276 75 A HA 0.699 5.018 4.320 -0.001 0.000 0.300 75 A C -0.002 177.644 177.584 0.104 0.000 1.235 75 A CA 0.143 52.214 52.037 0.056 0.000 0.867 75 A CB 0.624 19.673 19.000 0.082 0.000 1.137 75 A HN 0.770 nan 8.150 nan 0.000 0.527 76 T N 1.097 115.603 114.554 -0.081 0.000 2.590 76 T HA 0.697 5.046 4.350 -0.001 0.000 0.282 76 T C -1.606 172.753 174.700 -0.570 0.000 0.989 76 T CA -0.311 61.721 62.100 -0.113 0.000 1.091 76 T CB 0.539 69.424 68.868 0.029 0.000 1.460 76 T HN 0.468 nan 8.240 nan 0.000 0.499 77 Y N 0.128 120.091 120.300 -0.561 0.000 2.545 77 Y HA 0.703 5.253 4.550 -0.001 0.000 0.348 77 Y C -0.160 175.589 175.900 -0.250 0.000 1.002 77 Y CA -0.933 56.849 58.100 -0.529 0.000 1.039 77 Y CB 2.224 40.085 38.460 -0.998 0.000 1.271 77 Y HN 0.415 nan 8.280 nan 0.000 0.467 78 M N 2.569 122.177 119.600 0.013 0.000 2.046 78 M HA 0.457 4.936 4.480 -0.001 0.000 0.309 78 M C 0.556 176.922 176.300 0.110 0.000 0.935 78 M CA -0.149 55.185 55.300 0.057 0.000 0.915 78 M CB 1.355 33.939 32.600 -0.026 0.000 1.474 78 M HN 0.981 nan 8.290 nan 0.000 0.415 79 G N 2.829 111.623 108.800 -0.009 0.000 2.596 79 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.304 79 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.304 79 G C 0.285 175.077 174.900 -0.181 0.000 1.189 79 G CA 0.431 45.361 45.100 -0.283 0.000 0.986 79 G HN 0.745 nan 8.290 nan 0.000 0.548 80 E N 1.337 121.484 120.200 -0.089 0.000 2.501 80 E HA 0.183 4.533 4.350 -0.001 0.000 0.200 80 E C -0.624 176.078 176.600 0.169 0.000 1.016 80 E CA -0.191 56.206 56.400 -0.006 0.000 0.921 80 E CB 0.350 30.033 29.700 -0.028 0.000 1.034 80 E HN 0.394 nan 8.360 nan 0.000 0.468 81 D N 3.223 123.726 120.400 0.171 0.000 2.316 81 D HA 0.117 4.756 4.640 -0.001 0.000 0.245 81 D C -2.295 174.011 176.300 0.009 0.000 1.171 81 D CA -1.617 52.460 54.000 0.128 0.000 0.856 81 D CB 1.398 42.311 40.800 0.188 0.000 1.090 81 D HN 0.013 nan 8.370 nan 0.000 0.476 82 P HA 0.032 nan 4.420 nan 0.000 0.276 82 P C -0.259 176.824 177.300 -0.362 0.000 1.235 82 P CA -0.346 62.360 63.100 -0.657 0.000 0.772 82 P CB 1.175 32.593 31.700 -0.471 0.000 0.871 83 V N 1.841 121.503 119.914 -0.420 0.000 3.074 83 V HA 0.694 4.814 4.120 -0.001 0.000 0.314 83 V C -0.666 175.171 176.094 -0.428 0.000 1.117 83 V CA -1.098 61.007 62.300 -0.324 0.000 1.014 83 V CB 2.240 33.919 31.823 -0.239 0.000 1.057 83 V HN 0.214 nan 8.190 nan 0.000 0.438 84 V N 3.625 123.158 119.914 -0.636 0.000 2.409 84 V HA 0.518 4.638 4.120 -0.001 0.000 0.291 84 V C -0.074 175.671 176.094 -0.582 0.000 1.020 84 V CA -0.356 61.539 62.300 -0.676 0.000 0.848 84 V CB 1.446 32.593 31.823 -1.127 0.000 0.990 84 V HN 1.044 nan 8.190 nan 0.000 0.430 85 M N 6.445 125.892 119.600 -0.255 0.000 2.101 85 M HA 0.747 5.226 4.480 -0.001 0.000 0.340 85 M C -1.583 174.731 176.300 0.023 0.000 1.057 85 M CA -0.421 54.804 55.300 -0.125 0.000 0.984 85 M CB 1.372 33.923 32.600 -0.081 0.000 1.560 85 M HN 0.593 nan 8.290 nan 0.000 0.435 86 V N 5.725 125.688 119.914 0.083 0.000 2.623 86 V HA 0.578 4.697 4.120 -0.001 0.000 0.304 86 V C -1.036 175.170 176.094 0.186 0.000 1.054 86 V CA -0.774 61.660 62.300 0.224 0.000 0.882 86 V CB 2.042 34.116 31.823 0.417 0.000 1.002 86 V HN 1.010 nan 8.190 nan 0.000 0.424 87 R N 5.258 125.852 120.500 0.156 0.000 2.489 87 R HA 0.383 4.723 4.340 -0.001 0.000 0.287 87 R C 0.001 176.376 176.300 0.125 0.000 1.053 87 R CA 0.253 56.421 56.100 0.114 0.000 1.036 87 R CB 0.573 30.922 30.300 0.080 0.000 0.966 87 R HN 0.795 nan 8.270 nan 0.000 0.432 88 Q N 3.087 122.949 119.800 0.104 0.000 2.193 88 Q HA 0.105 4.444 4.340 -0.001 0.000 0.246 88 Q C 0.420 176.459 176.000 0.066 0.000 0.959 88 Q CA -0.441 55.419 55.803 0.095 0.000 0.904 88 Q CB 1.010 29.802 28.738 0.090 0.000 1.238 88 Q HN 0.667 nan 8.270 nan 0.000 0.469 89 K N 0.991 121.424 120.400 0.056 0.000 2.147 89 K HA -0.177 4.143 4.320 -0.001 0.000 0.205 89 K C 0.754 177.373 176.600 0.031 0.000 1.049 89 K CA 1.898 58.208 56.287 0.039 0.000 0.936 89 K CB 0.078 32.597 32.500 0.032 0.000 0.722 89 K HN 0.593 nan 8.250 nan 0.000 0.446 90 D N 0.245 120.665 120.400 0.033 0.000 2.352 90 D HA -0.083 4.556 4.640 -0.001 0.000 0.232 90 D C -0.208 176.107 176.300 0.024 0.000 1.055 90 D CA 0.337 54.352 54.000 0.025 0.000 0.891 90 D CB 0.003 40.818 40.800 0.024 0.000 0.897 90 D HN 0.340 nan 8.370 nan 0.000 0.529 91 K N -1.105 119.313 120.400 0.030 0.000 3.547 91 K HA -0.185 4.135 4.320 -0.001 0.000 0.309 91 K C 0.236 176.853 176.600 0.029 0.000 1.324 91 K CA 0.971 57.274 56.287 0.026 0.000 0.988 91 K CB -2.262 30.247 32.500 0.015 0.000 1.261 91 K HN 0.486 nan 8.250 nan 0.000 0.444 92 S N 0.626 116.348 115.700 0.037 0.000 2.624 92 S HA 0.600 5.070 4.470 -0.001 0.000 0.263 92 S C 0.306 174.941 174.600 0.058 0.000 1.287 92 S CA -0.781 57.444 58.200 0.042 0.000 0.990 92 S CB 1.170 64.397 63.200 0.045 0.000 0.950 92 S HN 0.246 nan 8.310 nan 0.000 0.561 93 I N 1.266 121.871 120.570 0.059 0.000 2.406 93 I HA 0.421 4.590 4.170 -0.001 0.000 0.290 93 I C -0.007 176.159 176.117 0.082 0.000 0.999 93 I CA -0.677 60.665 61.300 0.069 0.000 1.124 93 I CB 1.665 39.693 38.000 0.046 0.000 1.289 93 I HN 0.485 nan 8.210 nan 0.000 0.441 94 K N 5.453 125.921 120.400 0.113 0.000 2.164 94 K HA 0.689 5.009 4.320 -0.001 0.000 0.258 94 K C -1.087 175.567 176.600 0.089 0.000 0.951 94 K CA -0.781 55.592 56.287 0.143 0.000 0.844 94 K CB 2.934 35.575 32.500 0.235 0.000 1.099 94 K HN 0.269 nan 8.250 nan 0.000 0.435 95 V N 4.507 124.450 119.914 0.049 0.000 2.444 95 V HA 0.493 4.613 4.120 -0.001 0.000 0.294 95 V C -0.905 175.200 176.094 0.019 0.000 1.022 95 V CA -0.882 61.355 62.300 -0.105 0.000 0.850 95 V CB 0.629 32.346 31.823 -0.177 0.000 0.992 95 V HN 0.690 nan 8.190 nan 0.000 0.426 96 F N 3.502 123.436 119.950 -0.028 0.000 2.588 96 F HA 0.810 5.337 4.527 -0.001 0.000 0.310 96 F C -0.917 174.912 175.800 0.048 0.000 1.082 96 F CA -1.724 56.303 58.000 0.044 0.000 0.929 96 F CB 1.286 40.283 39.000 -0.004 0.000 1.254 96 F HN 0.353 nan 8.300 nan 0.000 0.455 97 L N 2.959 124.399 121.223 0.363 0.000 2.525 97 L HA 0.149 4.488 4.340 -0.001 0.000 0.278 97 L C 0.368 177.288 176.870 0.083 0.000 1.218 97 L CA 0.501 55.463 54.840 0.204 0.000 0.878 97 L CB -0.099 42.025 42.059 0.108 0.000 1.127 97 L HN 0.811 nan 8.230 nan 0.000 0.492 98 N N 5.055 123.710 118.700 -0.075 0.000 3.245 98 N HA 0.140 4.880 4.740 -0.001 0.000 0.296 98 N C -1.125 174.339 175.510 -0.076 0.000 1.254 98 N CA 0.129 53.098 53.050 -0.136 0.000 1.190 98 N CB -0.242 38.096 38.487 -0.249 0.000 1.460 98 N HN 0.722 nan 8.380 nan 0.000 0.538 99 Q N 1.152 120.934 119.800 -0.031 0.000 2.295 99 Q HA 0.236 4.576 4.340 -0.001 0.000 0.268 99 Q C -1.484 174.516 176.000 0.000 0.000 1.010 99 Q CA -0.712 55.084 55.803 -0.012 0.000 0.856 99 Q CB 1.479 30.217 28.738 -0.000 0.000 1.349 99 Q HN 0.392 nan 8.270 nan 0.000 0.412 100 C N 4.067 123.386 119.300 0.032 0.000 2.435 100 C HA 0.404 4.864 4.460 -0.001 0.000 0.375 100 C C 1.318 176.396 174.990 0.147 0.000 1.281 100 C CA -0.200 58.887 59.018 0.115 0.000 1.963 100 C CB -0.076 27.762 27.740 0.162 0.000 2.490 100 C HN 0.986 nan 8.230 nan 0.000 0.557 101 R N 2.005 122.675 120.500 0.283 0.000 2.313 101 R HA -0.019 4.320 4.340 -0.001 0.000 0.199 101 R C 1.875 178.304 176.300 0.216 0.000 0.958 101 R CA 0.305 56.601 56.100 0.326 0.000 1.047 101 R CB -0.312 30.325 30.300 0.561 0.000 0.955 101 R HN 0.861 nan 8.270 nan 0.000 0.481 102 H N 0.206 119.123 119.070 -0.254 0.000 2.268 102 H HA -0.011 4.545 4.556 -0.001 0.000 0.304 102 H C 0.962 176.112 175.328 -0.297 0.000 1.064 102 H CA 1.291 56.975 56.048 -0.605 0.000 1.316 102 H CB 0.517 29.427 29.762 -1.419 0.000 1.386 102 H HN -0.077 nan 8.280 nan 0.000 0.496 103 R N -1.150 119.134 120.500 -0.360 0.000 2.544 103 R HA 0.169 4.509 4.340 -0.001 0.000 0.426 103 R C 0.167 176.452 176.300 -0.024 0.000 0.943 103 R CA 0.656 56.593 56.100 -0.272 0.000 1.162 103 R CB 0.694 30.729 30.300 -0.441 0.000 1.588 103 R HN 0.596 nan 8.270 nan 0.000 0.563 104 G N 0.812 109.620 108.800 0.013 0.000 2.141 104 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.231 104 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.231 104 G C -0.037 174.898 174.900 0.058 0.000 0.984 104 G CA 0.278 45.402 45.100 0.041 0.000 0.660 104 G HN 0.254 nan 8.290 nan 0.000 0.525 105 M N 1.159 120.817 119.600 0.097 0.000 2.233 105 M HA 0.584 5.064 4.480 -0.001 0.000 0.350 105 M C 0.839 177.167 176.300 0.047 0.000 1.176 105 M CA -0.785 54.569 55.300 0.091 0.000 1.150 105 M CB 0.501 33.202 32.600 0.169 0.000 1.530 105 M HN 0.262 nan 8.290 nan 0.000 0.459 106 R N 3.830 124.340 120.500 0.017 0.000 2.502 106 R HA 0.093 4.432 4.340 -0.001 0.000 0.292 106 R C 0.294 176.594 176.300 -0.001 0.000 0.998 106 R CA 0.314 56.407 56.100 -0.013 0.000 1.056 106 R CB 0.047 30.336 30.300 -0.019 0.000 0.939 106 R HN 0.936 nan 8.270 nan 0.000 0.411 107 I N 2.574 123.118 120.570 -0.043 0.000 2.628 107 I HA -0.040 4.130 4.170 -0.001 0.000 0.255 107 I C 0.831 176.941 176.117 -0.013 0.000 1.119 107 I CA 0.185 61.474 61.300 -0.019 0.000 1.448 107 I CB 0.276 38.190 38.000 -0.143 0.000 1.133 107 I HN 0.487 nan 8.210 nan 0.000 0.438 108 C N 2.677 121.887 119.300 -0.150 0.000 2.239 108 C HA 0.356 4.815 4.460 -0.001 0.000 0.325 108 C C 1.443 176.383 174.990 -0.083 0.000 1.231 108 C CA -0.441 58.471 59.018 -0.176 0.000 1.652 108 C CB -0.566 26.896 27.740 -0.463 0.000 2.284 108 C HN 0.372 nan 8.230 nan 0.000 0.499 109 R N 3.000 123.496 120.500 -0.005 0.000 2.509 109 R HA 0.183 4.523 4.340 -0.001 0.000 0.300 109 R C 0.387 176.733 176.300 0.076 0.000 0.985 109 R CA 0.011 56.130 56.100 0.032 0.000 1.092 109 R CB 0.362 30.686 30.300 0.041 0.000 1.237 109 R HN 0.794 nan 8.270 nan 0.000 0.546 110 S N -1.493 114.285 115.700 0.130 0.000 2.634 110 S HA 0.293 4.763 4.470 -0.001 0.000 0.296 110 S C 0.025 174.779 174.600 0.256 0.000 1.104 110 S CA -0.938 57.378 58.200 0.193 0.000 0.920 110 S CB 2.058 65.408 63.200 0.251 0.000 1.111 110 S HN -0.186 nan 8.310 nan 0.000 0.493 111 D N 1.205 121.709 120.400 0.174 0.000 2.123 111 D HA 0.298 4.938 4.640 -0.001 0.000 0.196 111 D C 0.819 177.203 176.300 0.139 0.000 0.992 111 D CA 2.169 56.238 54.000 0.115 0.000 0.833 111 D CB -0.236 40.568 40.800 0.006 0.000 0.954 111 D HN 0.938 nan 8.370 nan 0.000 0.455 112 A N -2.158 120.713 122.820 0.085 0.000 2.567 112 A HA 0.646 4.966 4.320 -0.001 0.000 0.291 112 A C -0.125 177.095 177.584 -0.608 0.000 1.048 112 A CA -0.086 51.774 52.037 -0.295 0.000 0.661 112 A CB 0.934 19.804 19.000 -0.217 0.000 1.288 112 A HN 0.436 nan 8.150 nan 0.000 0.424 113 G N 0.006 108.136 108.800 -1.118 0.000 2.356 113 G HA2 0.374 4.333 3.960 -0.001 0.000 0.266 113 G HA3 0.374 4.333 3.960 -0.001 0.000 0.266 113 G C -1.549 172.868 174.900 -0.804 0.000 1.312 113 G CA -0.055 44.592 45.100 -0.755 0.000 0.922 113 G HN 1.313 nan 8.290 nan 0.000 0.480 114 N N 0.317 118.891 118.700 -0.210 0.000 2.296 114 N HA 0.637 5.377 4.740 -0.001 0.000 0.294 114 N C -0.585 175.089 175.510 0.274 0.000 1.033 114 N CA 0.125 53.201 53.050 0.043 0.000 0.839 114 N CB 1.986 40.477 38.487 0.008 0.000 1.395 114 N HN 1.130 nan 8.380 nan 0.000 0.479 115 A N 3.017 126.002 122.820 0.275 0.000 2.355 115 A HA 0.418 4.737 4.320 -0.001 0.000 0.317 115 A C 0.547 178.061 177.584 -0.115 0.000 1.094 115 A CA -0.592 51.431 52.037 -0.024 0.000 0.764 115 A CB 1.358 20.029 19.000 -0.547 0.000 1.230 115 A HN 0.709 nan 8.150 nan 0.000 0.448 116 K N 0.485 120.805 120.400 -0.133 0.000 2.211 116 K HA 0.357 4.677 4.320 -0.001 0.000 0.201 116 K C 0.651 177.157 176.600 -0.157 0.000 1.052 116 K CA 1.401 57.627 56.287 -0.102 0.000 0.973 116 K CB 0.305 32.772 32.500 -0.055 0.000 0.766 116 K HN 0.912 nan 8.250 nan 0.000 0.466 117 A N 0.206 122.858 122.820 -0.280 0.000 2.564 117 A HA 0.693 5.013 4.320 -0.001 0.000 0.291 117 A C -1.695 175.612 177.584 -0.461 0.000 1.102 117 A CA -0.762 51.122 52.037 -0.255 0.000 0.660 117 A CB 0.669 19.629 19.000 -0.066 0.000 1.283 117 A HN 0.028 nan 8.150 nan 0.000 0.430 118 F N 0.535 120.553 119.950 0.113 0.000 2.518 118 F HA 0.622 5.148 4.527 -0.001 0.000 0.323 118 F C 0.299 176.230 175.800 0.218 0.000 1.129 118 F CA -0.243 57.826 58.000 0.115 0.000 0.920 118 F CB 2.939 42.000 39.000 0.101 0.000 1.160 118 F HN 0.426 nan 8.300 nan 0.000 0.440 119 T N 1.646 116.402 114.554 0.337 0.000 2.841 119 T HA 0.217 4.567 4.350 -0.001 0.000 0.283 119 T C -0.850 174.037 174.700 0.311 0.000 1.000 119 T CA -0.568 61.721 62.100 0.315 0.000 0.977 119 T CB 1.566 70.547 68.868 0.190 0.000 0.979 119 T HN 0.739 nan 8.240 nan 0.000 0.446 120 C N 3.426 122.956 119.300 0.383 0.000 2.632 120 C HA 0.288 4.748 4.460 -0.001 0.000 0.415 120 C C 2.168 177.295 174.990 0.230 0.000 1.332 120 C CA 0.146 59.350 59.018 0.310 0.000 1.874 120 C CB -0.808 27.159 27.740 0.378 0.000 2.596 120 C HN 1.082 nan 8.230 nan 0.000 0.590 121 S N 4.248 120.047 115.700 0.166 0.000 2.496 121 S HA -0.101 4.368 4.470 -0.001 0.000 0.224 121 S C 1.509 176.181 174.600 0.120 0.000 0.996 121 S CA 0.646 58.917 58.200 0.118 0.000 0.927 121 S CB -0.477 62.764 63.200 0.067 0.000 0.774 121 S HN 0.940 nan 8.310 nan 0.000 0.524 122 Y N 1.840 122.111 120.300 -0.048 0.000 2.084 122 Y HA -0.128 4.422 4.550 -0.001 0.000 0.279 122 Y C 1.637 177.316 175.900 -0.368 0.000 1.119 122 Y CA 1.578 59.526 58.100 -0.253 0.000 1.101 122 Y CB 0.110 38.400 38.460 -0.282 0.000 0.989 122 Y HN 0.438 nan 8.280 nan 0.000 0.484 123 H N -1.562 117.630 119.070 0.203 0.000 2.649 123 H HA 0.287 4.843 4.556 -0.001 0.000 0.258 123 H C 0.763 176.211 175.328 0.200 0.000 1.165 123 H CA 0.342 56.458 56.048 0.114 0.000 1.006 123 H CB 0.884 30.609 29.762 -0.061 0.000 1.743 123 H HN 0.494 nan 8.280 nan 0.000 0.609 124 G N 0.368 109.347 108.800 0.300 0.000 2.179 124 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.257 124 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.257 124 G C -0.405 174.705 174.900 0.351 0.000 1.010 124 G CA -0.258 45.007 45.100 0.274 0.000 0.736 124 G HN 0.251 nan 8.290 nan 0.000 0.513 125 W N 0.495 121.856 121.300 0.102 0.000 2.308 125 W HA 0.595 5.254 4.660 -0.000 0.000 0.324 125 W C 0.548 177.033 176.519 -0.056 0.000 1.387 125 W CA -0.262 57.071 57.345 -0.021 0.000 1.250 125 W CB 0.447 29.925 29.460 0.029 0.000 1.257 125 W HN 0.675 nan 8.180 nan 0.000 0.554 126 A N 5.095 127.856 122.820 -0.098 0.000 2.317 126 A HA 0.779 5.099 4.320 -0.001 0.000 0.327 126 A C -1.799 175.610 177.584 -0.292 0.000 1.178 126 A CA -0.517 51.486 52.037 -0.056 0.000 0.817 126 A CB 0.551 19.531 19.000 -0.034 0.000 1.189 126 A HN 0.476 nan 8.150 nan 0.000 0.489 127 Y N 0.953 121.323 120.300 0.117 0.000 2.485 127 Y HA 0.443 4.992 4.550 -0.001 0.000 0.345 127 Y C 0.342 176.297 175.900 0.091 0.000 0.998 127 Y CA -1.146 57.005 58.100 0.085 0.000 1.059 127 Y CB 1.544 40.056 38.460 0.087 0.000 1.234 127 Y HN 0.868 nan 8.280 nan 0.000 0.461 128 D N 0.995 121.498 120.400 0.171 0.000 2.414 128 D HA 0.073 4.712 4.640 -0.001 0.000 0.251 128 D C 1.033 177.463 176.300 0.217 0.000 1.252 128 D CA -0.446 53.627 54.000 0.122 0.000 0.999 128 D CB 0.596 41.428 40.800 0.054 0.000 1.093 128 D HN 0.625 nan 8.370 nan 0.000 0.515 129 I N -3.903 116.774 120.570 0.177 0.000 3.334 129 I HA 0.138 4.308 4.170 -0.001 0.000 0.282 129 I C 1.515 177.848 176.117 0.359 0.000 1.313 129 I CA 0.648 62.144 61.300 0.327 0.000 1.396 129 I CB -0.296 37.816 38.000 0.188 0.000 1.054 129 I HN 0.322 nan 8.210 nan 0.000 0.495 130 A N 1.247 124.176 122.820 0.183 0.000 2.218 130 A HA 0.481 4.800 4.320 -0.001 0.000 0.209 130 A C 1.969 179.495 177.584 -0.097 0.000 1.168 130 A CA 0.574 52.681 52.037 0.117 0.000 0.804 130 A CB -0.523 18.518 19.000 0.067 0.000 0.834 130 A HN 0.820 nan 8.150 nan 0.000 0.482 131 G N -0.746 107.855 108.800 -0.331 0.000 2.176 131 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.232 131 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.232 131 G C 0.214 174.940 174.900 -0.290 0.000 0.986 131 G CA 0.370 44.872 45.100 -0.996 0.000 0.643 131 G HN 0.635 nan 8.290 nan 0.000 0.522 132 K N 0.522 120.886 120.400 -0.060 0.000 2.276 132 K HA 0.519 4.839 4.320 -0.001 0.000 0.283 132 K C 0.415 177.057 176.600 0.070 0.000 1.044 132 K CA -0.917 55.381 56.287 0.019 0.000 0.944 132 K CB 0.482 32.972 32.500 -0.017 0.000 1.012 132 K HN 0.151 nan 8.250 nan 0.000 0.472 133 L N 6.692 127.929 121.223 0.024 0.000 2.500 133 L HA -0.018 4.322 4.340 -0.001 0.000 0.272 133 L C 0.574 177.280 176.870 -0.274 0.000 1.149 133 L CA 0.526 55.184 54.840 -0.303 0.000 0.897 133 L CB 0.916 42.801 42.059 -0.290 0.000 1.178 133 L HN 0.604 nan 8.230 nan 0.000 0.473 134 V N 1.766 121.509 119.914 -0.285 0.000 3.635 134 V HA 0.404 4.524 4.120 -0.001 0.000 0.266 134 V C 0.468 176.424 176.094 -0.229 0.000 1.316 134 V CA 0.079 62.258 62.300 -0.201 0.000 1.060 134 V CB -0.180 31.574 31.823 -0.114 0.000 0.820 134 V HN 0.859 nan 8.190 nan 0.000 0.447 135 N N -0.114 118.402 118.700 -0.306 0.000 2.406 135 N HA 0.418 5.158 4.740 -0.001 0.000 0.283 135 N C -2.098 173.162 175.510 -0.416 0.000 1.074 135 N CA -0.103 52.775 53.050 -0.287 0.000 0.916 135 N CB 2.966 41.343 38.487 -0.182 0.000 1.639 135 N HN 0.043 nan 8.380 nan 0.000 0.485 136 V N 4.291 123.938 119.914 -0.446 0.000 2.407 136 V HA 0.429 4.549 4.120 -0.001 0.000 0.291 136 V C -2.189 173.754 176.094 -0.252 0.000 1.018 136 V CA -1.600 60.351 62.300 -0.583 0.000 0.842 136 V CB 1.640 32.905 31.823 -0.930 0.000 0.996 136 V HN 0.579 nan 8.190 nan 0.000 0.426 137 P HA 0.291 nan 4.420 nan 0.000 0.268 137 P C 0.075 177.360 177.300 -0.026 0.000 1.205 137 P CA 0.106 63.107 63.100 -0.166 0.000 0.771 137 P CB 0.034 31.674 31.700 -0.100 0.000 0.858 138 F N -0.915 119.052 119.950 0.029 0.000 3.084 138 F HA -0.270 4.256 4.527 -0.001 0.000 0.286 138 F C 1.701 177.548 175.800 0.077 0.000 0.855 138 F CA 0.742 58.763 58.000 0.035 0.000 1.091 138 F CB -1.791 37.222 39.000 0.022 0.000 1.177 138 F HN 0.424 nan 8.300 nan 0.000 0.542 139 E N 1.197 121.485 120.200 0.146 0.000 2.023 139 E HA -0.300 4.050 4.350 -0.001 0.000 0.196 139 E C 2.471 179.188 176.600 0.196 0.000 1.003 139 E CA 2.124 58.617 56.400 0.155 0.000 0.809 139 E CB -0.018 29.656 29.700 -0.043 0.000 0.755 139 E HN 0.612 nan 8.360 nan 0.000 0.449 140 K N 0.840 121.307 120.400 0.113 0.000 2.097 140 K HA -0.202 4.117 4.320 -0.001 0.000 0.206 140 K C 1.811 178.471 176.600 0.100 0.000 1.049 140 K CA 1.953 58.297 56.287 0.095 0.000 0.933 140 K CB -0.761 31.773 32.500 0.057 0.000 0.717 140 K HN 0.211 nan 8.250 nan 0.000 0.442 141 E N -0.770 119.504 120.200 0.123 0.000 2.216 141 E HA 0.183 4.533 4.350 -0.001 0.000 0.192 141 E C 1.935 178.544 176.600 0.016 0.000 0.988 141 E CA 1.078 57.528 56.400 0.082 0.000 0.834 141 E CB 0.298 30.073 29.700 0.126 0.000 0.772 141 E HN 0.587 nan 8.360 nan 0.000 0.479 142 A N -0.834 121.998 122.820 0.020 0.000 2.287 142 A HA 0.312 4.632 4.320 -0.001 0.000 0.214 142 A C 0.249 177.590 177.584 -0.404 0.000 1.228 142 A CA -0.144 51.778 52.037 -0.191 0.000 0.939 142 A CB 0.378 19.236 19.000 -0.236 0.000 0.992 142 A HN 0.074 nan 8.150 nan 0.000 0.502 154 D N 5.958 126.081 120.400 -0.461 0.000 2.505 154 D HA 0.312 4.952 4.640 -0.001 0.000 0.250 154 D C 0.542 176.465 176.300 -0.628 0.000 1.164 154 D CA -0.320 53.417 54.000 -0.439 0.000 0.870 154 D CB 1.849 42.549 40.800 -0.167 0.000 1.160 154 D HN 0.710 nan 8.370 nan 0.000 0.549 155 K N 1.774 121.696 120.400 -0.797 0.000 2.160 155 K HA -0.161 4.159 4.320 -0.001 0.000 0.206 155 K C 1.636 178.072 176.600 -0.273 0.000 1.047 155 K CA 1.266 57.186 56.287 -0.611 0.000 0.930 155 K CB 0.133 32.345 32.500 -0.480 0.000 0.720 155 K HN 0.423 nan 8.250 nan 0.000 0.450 156 A N 1.200 123.885 122.820 -0.226 0.000 2.067 156 A HA -0.161 4.159 4.320 -0.001 0.000 0.219 156 A C 1.526 179.027 177.584 -0.139 0.000 1.158 156 A CA 1.277 53.228 52.037 -0.144 0.000 0.661 156 A CB -0.161 18.764 19.000 -0.126 0.000 0.801 156 A HN 0.311 nan 8.150 nan 0.000 0.452 157 E N -2.626 117.467 120.200 -0.179 0.000 2.474 157 E HA -0.015 4.335 4.350 -0.001 0.000 0.194 157 E C 0.034 176.326 176.600 -0.513 0.000 1.041 157 E CA 0.027 56.234 56.400 -0.322 0.000 0.874 157 E CB 0.078 29.566 29.700 -0.353 0.000 0.914 157 E HN 0.863 nan 8.360 nan 0.000 0.498 158 W N 0.598 121.856 121.300 -0.070 0.000 2.599 158 W HA 0.331 4.990 4.660 -0.001 0.000 0.396 158 W C 0.689 177.327 176.519 0.198 0.000 0.944 158 W CA -0.655 56.744 57.345 0.091 0.000 2.042 158 W CB 0.808 30.364 29.460 0.162 0.000 1.184 158 W HN -0.093 nan 8.180 nan 0.000 0.604 159 G N 1.806 110.753 108.800 0.244 0.000 2.537 159 G HA2 0.460 4.420 3.960 -0.001 0.000 0.273 159 G HA3 0.460 4.420 3.960 -0.001 0.000 0.273 159 G C -2.227 172.775 174.900 0.170 0.000 1.189 159 G CA -1.063 44.204 45.100 0.279 0.000 0.881 159 G HN -0.283 nan 8.290 nan 0.000 0.535 160 P HA 0.101 nan 4.420 nan 0.000 0.269 160 P C -0.034 177.317 177.300 0.085 0.000 1.215 160 P CA -0.612 62.529 63.100 0.068 0.000 0.780 160 P CB 0.984 32.709 31.700 0.042 0.000 0.898 161 L N 2.637 123.901 121.223 0.070 0.000 2.540 161 L HA -0.034 4.306 4.340 -0.001 0.000 0.276 161 L C 0.512 177.540 176.870 0.263 0.000 1.212 161 L CA 0.973 55.855 54.840 0.071 0.000 0.893 161 L CB -0.262 41.733 42.059 -0.107 0.000 1.138 161 L HN 0.278 nan 8.230 nan 0.000 0.491 162 Q N 4.080 124.031 119.800 0.251 0.000 2.230 162 Q HA 0.593 4.932 4.340 -0.001 0.000 0.253 162 Q C -0.499 175.703 176.000 0.337 0.000 0.919 162 Q CA -0.409 55.570 55.803 0.293 0.000 0.908 162 Q CB 1.727 30.567 28.738 0.171 0.000 1.245 162 Q HN 0.823 nan 8.270 nan 0.000 0.437 163 A N 2.672 125.598 122.820 0.177 0.000 2.295 163 A HA 0.512 4.831 4.320 -0.001 0.000 0.318 163 A C -0.175 177.364 177.584 -0.073 0.000 1.134 163 A CA -0.616 51.368 52.037 -0.088 0.000 0.827 163 A CB 0.667 19.308 19.000 -0.599 0.000 1.136 163 A HN 0.678 nan 8.150 nan 0.000 0.493 164 R N 0.299 120.712 120.500 -0.145 0.000 2.489 164 R HA 0.383 4.723 4.340 -0.001 0.000 0.287 164 R C -0.974 175.309 176.300 -0.028 0.000 1.053 164 R CA 0.094 56.141 56.100 -0.089 0.000 1.036 164 R CB 0.528 30.717 30.300 -0.185 0.000 0.966 164 R HN 0.430 nan 8.270 nan 0.000 0.432 165 V N 2.117 122.126 119.914 0.159 0.000 2.540 165 V HA 0.753 4.873 4.120 -0.001 0.000 0.302 165 V C -0.316 175.970 176.094 0.321 0.000 1.035 165 V CA -0.735 61.708 62.300 0.238 0.000 0.873 165 V CB 1.693 33.584 31.823 0.113 0.000 0.992 165 V HN 0.939 nan 8.190 nan 0.000 0.428 166 A N 2.969 125.998 122.820 0.347 0.000 2.549 166 A HA 0.873 5.192 4.320 -0.001 0.000 0.297 166 A C -0.464 177.166 177.584 0.076 0.000 1.061 166 A CA -0.574 51.502 52.037 0.064 0.000 0.690 166 A CB 2.047 20.851 19.000 -0.327 0.000 1.287 166 A HN 0.652 nan 8.150 nan 0.000 0.402 167 T N 0.960 115.528 114.554 0.024 0.000 2.859 167 T HA 0.540 4.889 4.350 -0.001 0.000 0.281 167 T C -1.340 173.402 174.700 0.070 0.000 1.005 167 T CA 0.068 62.205 62.100 0.061 0.000 1.025 167 T CB 0.874 69.732 68.868 -0.017 0.000 0.977 167 T HN 0.504 nan 8.240 nan 0.000 0.458 168 Y N 2.490 122.801 120.300 0.018 0.000 2.376 168 Y HA 0.339 4.889 4.550 -0.001 0.000 0.326 168 Y C 0.119 176.011 175.900 -0.013 0.000 0.970 168 Y CA -0.871 57.209 58.100 -0.034 0.000 1.248 168 Y CB 0.445 38.861 38.460 -0.072 0.000 1.117 168 Y HN 0.712 nan 8.280 nan 0.000 0.476 169 K N 5.014 125.151 120.400 -0.438 0.000 4.040 169 K HA -0.268 4.051 4.320 -0.001 0.000 0.279 169 K C 1.000 177.505 176.600 -0.160 0.000 0.890 169 K CA 1.059 57.144 56.287 -0.337 0.000 0.782 169 K CB -1.416 30.807 32.500 -0.463 0.000 1.613 169 K HN 1.233 nan 8.250 nan 0.000 0.440 170 G N -0.132 108.548 108.800 -0.201 0.000 2.336 170 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.233 170 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.233 170 G C 0.201 174.761 174.900 -0.568 0.000 1.053 170 G CA 0.169 45.011 45.100 -0.431 0.000 0.625 170 G HN 0.304 nan 8.290 nan 0.000 0.511 171 L N 1.926 123.061 121.223 -0.147 0.000 2.319 171 L HA 0.518 4.857 4.340 -0.001 0.000 0.280 171 L C 0.451 177.345 176.870 0.039 0.000 1.099 171 L CA -0.754 54.081 54.840 -0.007 0.000 0.828 171 L CB 1.495 43.668 42.059 0.190 0.000 1.150 171 L HN 0.011 nan 8.230 nan 0.000 0.442 172 V N 4.154 124.023 119.914 -0.074 0.000 2.383 172 V HA 0.343 4.462 4.120 -0.001 0.000 0.275 172 V C -0.100 175.931 176.094 -0.104 0.000 1.036 172 V CA -0.241 62.048 62.300 -0.019 0.000 0.889 172 V CB 0.783 32.584 31.823 -0.037 0.000 0.985 172 V HN 0.370 nan 8.190 nan 0.000 0.459 173 F N 2.458 122.463 119.950 0.092 0.000 2.523 173 F HA 0.860 5.386 4.527 -0.001 0.000 0.329 173 F C 0.444 176.401 175.800 0.263 0.000 1.061 173 F CA -0.446 57.670 58.000 0.195 0.000 0.967 173 F CB 2.016 41.163 39.000 0.244 0.000 1.218 173 F HN 0.576 nan 8.300 nan 0.000 0.480 174 A N 2.011 125.028 122.820 0.328 0.000 2.498 174 A HA 0.735 5.055 4.320 -0.001 0.000 0.298 174 A C -1.573 175.729 177.584 -0.470 0.000 1.075 174 A CA -0.616 51.387 52.037 -0.057 0.000 0.714 174 A CB 1.883 20.721 19.000 -0.271 0.000 1.299 174 A HN 0.648 nan 8.150 nan 0.000 0.407 175 N N 0.116 118.291 118.700 -0.876 0.000 2.324 175 N HA 0.258 4.998 4.740 -0.001 0.000 0.285 175 N C -0.313 174.811 175.510 -0.643 0.000 1.076 175 N CA -0.511 51.938 53.050 -1.002 0.000 0.864 175 N CB 1.269 38.678 38.487 -1.796 0.000 1.632 175 N HN 0.734 nan 8.380 nan 0.000 0.478 176 W N 0.395 121.533 121.300 -0.271 0.000 2.443 176 W HA 0.030 4.690 4.660 -0.001 0.000 0.296 176 W C 0.613 177.047 176.519 -0.141 0.000 1.202 176 W CA -0.063 57.189 57.345 -0.155 0.000 1.312 176 W CB 0.158 29.566 29.460 -0.086 0.000 1.120 176 W HN 0.499 nan 8.180 nan 0.000 0.536 177 D N 0.344 120.796 120.400 0.086 0.000 2.325 177 D HA 0.043 4.682 4.640 -0.001 0.000 0.251 177 D C 1.193 177.467 176.300 -0.043 0.000 1.196 177 D CA -0.045 53.998 54.000 0.072 0.000 0.866 177 D CB 1.521 42.429 40.800 0.180 0.000 1.101 177 D HN -0.017 nan 8.370 nan 0.000 0.476 178 V N 2.136 122.047 119.914 -0.004 0.000 2.913 178 V HA -0.136 3.983 4.120 -0.001 0.000 0.260 178 V C 1.426 177.491 176.094 -0.048 0.000 1.098 178 V CA 1.009 63.294 62.300 -0.026 0.000 1.121 178 V CB -0.598 31.227 31.823 0.005 0.000 0.714 178 V HN 0.458 nan 8.190 nan 0.000 0.487 179 Q N 0.951 120.731 119.800 -0.032 0.000 2.403 179 Q HA 0.457 4.796 4.340 -0.001 0.000 0.203 179 Q C 0.973 176.748 176.000 -0.375 0.000 0.932 179 Q CA 0.710 56.484 55.803 -0.049 0.000 0.945 179 Q CB -0.048 28.773 28.738 0.138 0.000 1.045 179 Q HN 0.770 nan 8.270 nan 0.000 0.511 180 A N 2.355 124.828 122.820 -0.579 0.000 2.271 180 A HA 0.554 4.874 4.320 -0.001 0.000 0.288 180 A C -2.220 175.028 177.584 -0.560 0.000 1.094 180 A CA -1.333 50.020 52.037 -1.141 0.000 0.828 180 A CB -0.101 18.433 19.000 -0.778 0.000 1.091 180 A HN -0.034 nan 8.150 nan 0.000 0.493 181 P HA 0.228 nan 4.420 nan 0.000 0.271 181 P C -0.868 176.516 177.300 0.139 0.000 1.218 181 P CA -0.205 62.804 63.100 -0.151 0.000 0.780 181 P CB 0.322 31.932 31.700 -0.150 0.000 0.901 182 D N 1.532 121.973 120.400 0.068 0.000 2.400 182 D HA -0.067 4.572 4.640 -0.001 0.000 0.238 182 D C 1.158 177.337 176.300 -0.202 0.000 1.157 182 D CA -0.382 53.648 54.000 0.050 0.000 0.889 182 D CB 0.221 41.010 40.800 -0.019 0.000 1.199 182 D HN 0.091 nan 8.370 nan 0.000 0.436 183 L N 0.655 121.450 121.223 -0.713 0.000 2.021 183 L HA -0.255 4.085 4.340 -0.001 0.000 0.215 183 L C 2.035 178.635 176.870 -0.450 0.000 1.074 183 L CA 1.941 56.151 54.840 -1.049 0.000 0.760 183 L CB -0.783 40.529 42.059 -1.245 0.000 0.889 183 L HN 0.481 nan 8.230 nan 0.000 0.433 184 E N -1.091 118.941 120.200 -0.280 0.000 2.160 184 E HA -0.200 4.150 4.350 -0.001 0.000 0.195 184 E C 1.997 178.540 176.600 -0.095 0.000 0.991 184 E CA 1.922 58.232 56.400 -0.150 0.000 0.810 184 E CB -0.635 29.021 29.700 -0.072 0.000 0.742 184 E HN 0.609 nan 8.360 nan 0.000 0.466 185 T N 0.383 114.890 114.554 -0.077 0.000 2.894 185 T HA -0.099 4.251 4.350 -0.001 0.000 0.258 185 T C 1.731 176.437 174.700 0.009 0.000 1.043 185 T CA 0.737 62.803 62.100 -0.056 0.000 1.141 185 T CB -0.473 68.336 68.868 -0.099 0.000 0.873 185 T HN 0.211 nan 8.240 nan 0.000 0.449 186 Y N 2.059 122.328 120.300 -0.052 0.000 2.165 186 Y HA -0.119 4.431 4.550 -0.001 0.000 0.286 186 Y C 1.886 177.992 175.900 0.344 0.000 1.155 186 Y CA 1.172 59.406 58.100 0.222 0.000 1.164 186 Y CB -0.471 38.113 38.460 0.207 0.000 0.978 186 Y HN 0.109 nan 8.280 nan 0.000 0.513 187 L N -0.748 120.558 121.223 0.138 0.000 1.973 187 L HA 0.015 4.355 4.340 -0.001 0.000 0.208 187 L C 2.061 178.988 176.870 0.095 0.000 1.073 187 L CA 1.042 55.839 54.840 -0.073 0.000 0.746 187 L CB -1.326 40.548 42.059 -0.308 0.000 0.891 187 L HN 0.539 nan 8.230 nan 0.000 0.433 188 G N 0.916 109.757 108.800 0.068 0.000 2.527 188 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.268 188 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.268 188 G C 0.199 175.178 174.900 0.132 0.000 1.175 188 G CA 0.346 45.520 45.100 0.123 0.000 0.962 188 G HN 0.534 nan 8.290 nan 0.000 0.560 189 D N 1.307 121.848 120.400 0.235 0.000 2.352 189 D HA 0.441 5.081 4.640 -0.001 0.000 0.232 189 D C 2.017 178.480 176.300 0.272 0.000 1.055 189 D CA 1.636 55.786 54.000 0.251 0.000 0.891 189 D CB -0.465 40.537 40.800 0.337 0.000 0.897 189 D HN 1.030 nan 8.370 nan 0.000 0.529 190 A N 0.736 123.746 122.820 0.317 0.000 2.016 190 A HA -0.066 4.254 4.320 -0.001 0.000 0.217 190 A C 2.225 179.853 177.584 0.073 0.000 1.162 190 A CA 0.474 52.670 52.037 0.266 0.000 0.662 190 A CB -0.389 18.783 19.000 0.287 0.000 0.812 190 A HN 0.116 nan 8.150 nan 0.000 0.450 191 R N -0.099 120.378 120.500 -0.037 0.000 2.112 191 R HA -0.174 4.166 4.340 -0.001 0.000 0.242 191 R C -0.703 175.590 176.300 -0.012 0.000 1.137 191 R CA 2.196 58.228 56.100 -0.112 0.000 0.944 191 R CB -1.656 28.584 30.300 -0.099 0.000 0.857 191 R HN 0.385 nan 8.270 nan 0.000 0.435 192 P HA -0.167 nan 4.420 nan 0.000 0.216 192 P C 0.593 177.713 177.300 -0.300 0.000 1.150 192 P CA 1.422 64.376 63.100 -0.243 0.000 0.837 192 P CB -0.096 31.333 31.700 -0.451 0.000 0.786 193 Y N -1.695 118.496 120.300 -0.181 0.000 2.509 193 Y HA -0.008 4.542 4.550 -0.001 0.000 0.293 193 Y C 2.353 178.290 175.900 0.062 0.000 1.133 193 Y CA 0.704 58.712 58.100 -0.155 0.000 1.283 193 Y CB -0.880 37.422 38.460 -0.264 0.000 1.001 193 Y HN -0.074 nan 8.280 nan 0.000 0.555 194 M N -0.822 118.919 119.600 0.235 0.000 2.388 194 M HA -0.101 4.378 4.480 -0.001 0.000 0.265 194 M C 0.949 177.364 176.300 0.192 0.000 1.088 194 M CA 0.953 56.421 55.300 0.279 0.000 1.134 194 M CB 0.032 32.763 32.600 0.218 0.000 1.384 194 M HN 0.085 nan 8.290 nan 0.000 0.447 195 D N 0.350 120.838 120.400 0.146 0.000 2.224 195 D HA -0.064 4.576 4.640 -0.001 0.000 0.205 195 D C 2.109 178.430 176.300 0.036 0.000 0.965 195 D CA 0.930 54.983 54.000 0.090 0.000 0.852 195 D CB -0.158 40.675 40.800 0.056 0.000 0.947 195 D HN 0.117 nan 8.370 nan 0.000 0.494 196 V N 1.110 121.046 119.914 0.037 0.000 2.453 196 V HA -0.243 3.876 4.120 -0.001 0.000 0.252 196 V C 2.222 178.424 176.094 0.181 0.000 1.068 196 V CA 1.500 63.829 62.300 0.049 0.000 1.070 196 V CB -0.294 31.589 31.823 0.100 0.000 0.664 196 V HN 0.273 nan 8.190 nan 0.000 0.461 197 M N -1.860 117.877 119.600 0.229 0.000 2.657 197 M HA 0.148 4.627 4.480 -0.001 0.000 0.262 197 M C 1.712 178.087 176.300 0.126 0.000 1.213 197 M CA 1.205 56.669 55.300 0.273 0.000 1.182 197 M CB 0.371 33.093 32.600 0.204 0.000 1.303 197 M HN 0.217 nan 8.290 nan 0.000 0.501 198 L N -0.612 120.650 121.223 0.065 0.000 2.463 198 L HA 0.093 4.433 4.340 -0.001 0.000 0.219 198 L C 0.530 177.400 176.870 -0.000 0.000 1.088 198 L CA 0.377 55.234 54.840 0.028 0.000 0.849 198 L CB 0.108 42.183 42.059 0.026 0.000 1.012 198 L HN 0.176 nan 8.230 nan 0.000 0.468 199 D N -0.372 120.026 120.400 -0.003 0.000 2.772 199 D HA 0.105 4.745 4.640 -0.001 0.000 0.272 199 D C 1.480 177.757 176.300 -0.038 0.000 1.314 199 D CA 0.018 54.001 54.000 -0.029 0.000 0.835 199 D CB 0.368 41.156 40.800 -0.021 0.000 1.080 199 D HN -0.031 nan 8.370 nan 0.000 0.482 200 R N -0.793 119.683 120.500 -0.039 0.000 2.200 200 R HA 0.114 4.454 4.340 -0.001 0.000 0.208 200 R C 0.535 176.798 176.300 -0.062 0.000 1.033 200 R CA 0.789 56.843 56.100 -0.077 0.000 1.000 200 R CB 0.367 30.615 30.300 -0.086 0.000 0.906 200 R HN 0.225 nan 8.270 nan 0.000 0.462 201 T N -3.005 111.530 114.554 -0.031 0.000 2.896 201 T HA 0.280 4.630 4.350 -0.001 0.000 0.297 201 T C -2.301 172.384 174.700 -0.025 0.000 1.108 201 T CA -1.750 60.336 62.100 -0.024 0.000 1.004 201 T CB 2.406 71.274 68.868 0.001 0.000 1.159 201 T HN -0.251 nan 8.240 nan 0.000 0.499 202 P HA -0.004 nan 4.420 nan 0.000 0.217 202 P C 1.545 178.832 177.300 -0.022 0.000 1.150 202 P CA 1.109 64.192 63.100 -0.029 0.000 0.832 202 P CB -0.381 31.302 31.700 -0.027 0.000 0.787 203 A N -0.426 122.388 122.820 -0.010 0.000 2.172 203 A HA 0.312 4.631 4.320 -0.001 0.000 0.216 203 A C 1.300 178.884 177.584 -0.000 0.000 1.154 203 A CA 1.277 53.312 52.037 -0.004 0.000 0.701 203 A CB -1.347 17.657 19.000 0.006 0.000 0.789 203 A HN 0.458 nan 8.150 nan 0.000 0.465 204 G N -1.822 106.977 108.800 -0.001 0.000 2.627 204 G HA2 0.136 4.096 3.960 -0.001 0.000 0.214 204 G HA3 0.136 4.096 3.960 -0.001 0.000 0.214 204 G C 0.008 174.923 174.900 0.025 0.000 1.331 204 G CA 0.092 45.196 45.100 0.007 0.000 0.891 204 G HN 1.599 nan 8.290 nan 0.000 0.539 205 T N -3.068 111.521 114.554 0.059 0.000 2.940 205 T HA 0.781 5.131 4.350 -0.001 0.000 0.288 205 T C -0.444 174.263 174.700 0.010 0.000 1.033 205 T CA -0.083 62.039 62.100 0.038 0.000 1.033 205 T CB 2.159 71.061 68.868 0.057 0.000 1.079 205 T HN 2.020 nan 8.240 nan 0.000 0.496 206 V N 0.941 120.762 119.914 -0.155 0.000 2.735 206 V HA 0.773 4.892 4.120 -0.001 0.000 0.310 206 V C -0.078 175.744 176.094 -0.452 0.000 1.061 206 V CA -0.928 61.198 62.300 -0.289 0.000 0.913 206 V CB 1.594 33.338 31.823 -0.132 0.000 1.005 206 V HN 1.418 nan 8.190 nan 0.000 0.428 207 A N 6.678 129.112 122.820 -0.643 0.000 2.454 207 A HA 0.543 4.862 4.320 -0.001 0.000 0.260 207 A C 0.074 177.546 177.584 -0.187 0.000 1.106 207 A CA -0.200 51.603 52.037 -0.390 0.000 0.780 207 A CB -0.179 18.452 19.000 -0.615 0.000 1.044 207 A HN 0.822 nan 8.150 nan 0.000 0.498 208 I N 2.497 123.030 120.570 -0.062 0.000 2.710 208 I HA 0.045 4.215 4.170 -0.001 0.000 0.286 208 I C 1.563 177.707 176.117 0.044 0.000 1.181 208 I CA 0.342 61.641 61.300 -0.002 0.000 1.430 208 I CB 0.408 38.432 38.000 0.040 0.000 1.367 208 I HN 0.801 nan 8.210 nan 0.000 0.577 209 G N 4.274 113.093 108.800 0.032 0.000 2.474 209 G HA2 0.388 4.348 3.960 -0.001 0.000 0.233 209 G HA3 0.388 4.348 3.960 -0.001 0.000 0.233 209 G C 0.295 175.250 174.900 0.091 0.000 1.278 209 G CA 0.375 45.510 45.100 0.059 0.000 0.861 209 G HN 1.210 nan 8.290 nan 0.000 0.567 210 G N 0.175 109.033 108.800 0.096 0.000 3.225 210 G HA2 0.224 4.183 3.960 -0.001 0.000 0.686 210 G HA3 0.224 4.183 3.960 -0.001 0.000 0.686 210 G C -0.586 174.383 174.900 0.115 0.000 1.105 210 G CA -0.018 45.129 45.100 0.079 0.000 0.831 210 G HN 1.173 nan 8.290 nan 0.000 0.578 211 M N 2.342 121.964 119.600 0.037 0.000 2.085 211 M HA 0.492 4.972 4.480 -0.001 0.000 0.309 211 M C 0.213 176.516 176.300 0.005 0.000 0.947 211 M CA -0.621 54.704 55.300 0.041 0.000 0.918 211 M CB 1.114 33.657 32.600 -0.095 0.000 1.504 211 M HN 0.616 nan 8.290 nan 0.000 0.420 212 Q N 3.872 123.755 119.800 0.137 0.000 2.304 212 Q HA 0.316 4.656 4.340 -0.001 0.000 0.260 212 Q C -1.078 175.015 176.000 0.155 0.000 0.965 212 Q CA 0.275 56.212 55.803 0.222 0.000 0.898 212 Q CB 1.080 30.099 28.738 0.469 0.000 1.196 212 Q HN 0.508 nan 8.270 nan 0.000 0.402 213 K N 2.490 122.952 120.400 0.103 0.000 2.324 213 K HA 0.624 4.943 4.320 -0.001 0.000 0.253 213 K C -1.436 175.370 176.600 0.344 0.000 0.932 213 K CA -0.617 55.650 56.287 -0.033 0.000 0.799 213 K CB 1.425 33.658 32.500 -0.445 0.000 1.154 213 K HN 0.605 nan 8.250 nan 0.000 0.425 214 W N -0.304 121.088 121.300 0.154 0.000 3.066 214 W HA 0.598 5.258 4.660 -0.001 0.000 0.330 214 W C -1.998 174.657 176.519 0.226 0.000 1.253 214 W CA -1.049 56.397 57.345 0.167 0.000 1.187 214 W CB 0.435 29.985 29.460 0.150 0.000 1.434 214 W HN 0.114 nan 8.180 nan 0.000 0.572 215 V N 3.334 123.486 119.914 0.396 0.000 2.384 215 V HA 0.497 4.616 4.120 -0.001 0.000 0.287 215 V C -0.133 176.144 176.094 0.305 0.000 1.020 215 V CA -0.868 61.589 62.300 0.262 0.000 0.850 215 V CB 1.039 32.982 31.823 0.199 0.000 0.987 215 V HN 0.519 nan 8.190 nan 0.000 0.436 216 I N 6.779 127.506 120.570 0.261 0.000 2.418 216 I HA 0.389 4.559 4.170 -0.001 0.000 0.287 216 I C -2.319 173.912 176.117 0.190 0.000 1.008 216 I CA -2.077 59.392 61.300 0.283 0.000 1.104 216 I CB 2.771 41.011 38.000 0.399 0.000 1.264 216 I HN 0.409 nan 8.210 nan 0.000 0.438 217 P HA 0.106 nan 4.420 nan 0.000 0.230 217 P C -0.555 176.807 177.300 0.103 0.000 1.791 217 P CA -0.061 63.103 63.100 0.107 0.000 1.020 217 P CB -0.351 31.401 31.700 0.086 0.000 1.977 218 C N -0.040 119.324 119.300 0.108 0.000 3.291 218 C HA 0.529 4.989 4.460 -0.001 0.000 0.316 218 C C -0.061 174.980 174.990 0.085 0.000 1.391 218 C CA -1.239 57.842 59.018 0.104 0.000 1.394 218 C CB 1.251 29.054 27.740 0.105 0.000 1.744 218 C HN 0.326 nan 8.230 nan 0.000 0.461 219 N N 1.423 120.205 118.700 0.136 0.000 2.518 219 N HA 0.056 4.796 4.740 -0.001 0.000 0.266 219 N C 1.234 176.653 175.510 -0.152 0.000 1.196 219 N CA 0.189 53.233 53.050 -0.010 0.000 0.947 219 N CB 0.699 39.107 38.487 -0.131 0.000 1.098 219 N HN 1.010 nan 8.380 nan 0.000 0.450 220 W N 4.585 125.810 121.300 -0.126 0.000 2.364 220 W HA -0.106 4.554 4.660 -0.001 0.000 0.281 220 W C 0.808 177.123 176.519 -0.341 0.000 1.219 220 W CA 0.321 57.538 57.345 -0.212 0.000 1.220 220 W CB -0.550 28.933 29.460 0.038 0.000 1.127 220 W HN 0.526 nan 8.180 nan 0.000 0.556 221 K N 0.224 120.006 120.400 -1.030 0.000 2.148 221 K HA -0.089 4.231 4.320 -0.001 0.000 0.204 221 K C 1.934 178.168 176.600 -0.610 0.000 1.050 221 K CA 1.558 57.256 56.287 -0.983 0.000 0.942 221 K CB -0.617 31.203 32.500 -1.133 0.000 0.724 221 K HN 0.114 nan 8.250 nan 0.000 0.446 222 F N 0.960 120.596 119.950 -0.522 0.000 2.113 222 F HA -0.181 4.345 4.527 -0.001 0.000 0.297 222 F C 2.597 177.823 175.800 -0.957 0.000 1.103 222 F CA 0.801 58.398 58.000 -0.671 0.000 1.248 222 F CB -0.313 38.166 39.000 -0.869 0.000 0.999 222 F HN 0.029 nan 8.300 nan 0.000 0.475 223 A N 0.298 122.368 122.820 -1.250 0.000 1.877 223 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 223 A C 2.366 179.399 177.584 -0.917 0.000 1.186 223 A CA 1.863 52.849 52.037 -1.752 0.000 0.620 223 A CB -1.311 16.050 19.000 -2.731 0.000 0.822 223 A HN 0.325 nan 8.150 nan 0.000 0.443 224 A N -0.603 121.793 122.820 -0.706 0.000 1.858 224 A HA -0.196 4.124 4.320 -0.001 0.000 0.216 224 A C 2.104 179.703 177.584 0.024 0.000 1.190 224 A CA 1.795 53.759 52.037 -0.121 0.000 0.617 224 A CB -0.610 18.410 19.000 0.034 0.000 0.827 224 A HN 0.623 nan 8.150 nan 0.000 0.443 225 E N -0.496 119.631 120.200 -0.121 0.000 2.051 225 E HA -0.284 4.065 4.350 -0.001 0.000 0.192 225 E C 2.245 178.894 176.600 0.082 0.000 0.991 225 E CA 1.551 57.905 56.400 -0.076 0.000 0.799 225 E CB -0.214 29.420 29.700 -0.111 0.000 0.748 225 E HN 0.763 nan 8.360 nan 0.000 0.449 226 Q N -0.685 119.189 119.800 0.124 0.000 2.096 226 Q HA -0.175 4.165 4.340 -0.001 0.000 0.204 226 Q C 1.857 177.966 176.000 0.181 0.000 0.982 226 Q CA 1.469 57.371 55.803 0.165 0.000 0.850 226 Q CB -0.120 28.776 28.738 0.263 0.000 0.901 226 Q HN 0.262 nan 8.270 nan 0.000 0.422 227 F N -0.603 119.461 119.950 0.191 0.000 2.558 227 F HA -0.079 4.447 4.527 -0.001 0.000 0.298 227 F C 2.425 178.440 175.800 0.358 0.000 1.119 227 F CA 0.487 58.667 58.000 0.299 0.000 1.451 227 F CB -0.425 38.797 39.000 0.370 0.000 1.091 227 F HN 0.318 nan 8.300 nan 0.000 0.563 228 C N -1.419 118.111 119.300 0.384 0.000 2.476 228 C HA -0.038 4.422 4.460 -0.001 0.000 0.278 228 C C 2.721 177.867 174.990 0.259 0.000 1.274 228 C CA 1.650 60.809 59.018 0.236 0.000 1.713 228 C CB -0.791 27.018 27.740 0.115 0.000 2.039 228 C HN 0.457 nan 8.230 nan 0.000 0.484 229 S N -1.710 114.163 115.700 0.288 0.000 2.648 229 S HA 0.144 4.613 4.470 -0.001 0.000 0.270 229 S C -0.149 174.528 174.600 0.127 0.000 1.080 229 S CA 0.155 58.484 58.200 0.215 0.000 1.159 229 S CB -0.391 62.845 63.200 0.060 0.000 1.091 229 S HN 0.598 nan 8.310 nan 0.000 0.605 230 D N 2.002 122.385 120.400 -0.028 0.000 2.524 230 D HA 0.292 4.932 4.640 -0.001 0.000 0.222 230 D C 0.578 176.791 176.300 -0.146 0.000 1.142 230 D CA -0.251 53.746 54.000 -0.004 0.000 0.973 230 D CB 0.903 41.767 40.800 0.106 0.000 1.025 230 D HN 0.296 nan 8.370 nan 0.000 0.519 231 M N 3.007 122.482 119.600 -0.208 0.000 2.447 231 M HA 0.033 4.512 4.480 -0.001 0.000 0.264 231 M C 1.253 177.668 176.300 0.191 0.000 1.095 231 M CA 0.821 56.003 55.300 -0.196 0.000 1.125 231 M CB -0.374 31.968 32.600 -0.430 0.000 1.389 231 M HN 0.461 nan 8.290 nan 0.000 0.459 232 Y N 0.128 120.563 120.300 0.225 0.000 2.241 232 Y HA -0.364 4.185 4.550 -0.001 0.000 0.286 232 Y C 2.546 178.523 175.900 0.127 0.000 1.166 232 Y CA 2.008 60.291 58.100 0.305 0.000 1.203 232 Y CB -0.164 38.417 38.460 0.202 0.000 0.977 232 Y HN 0.555 nan 8.280 nan 0.000 0.529 233 H N -1.382 117.704 119.070 0.025 0.000 2.395 233 H HA 0.015 4.571 4.556 -0.001 0.000 0.299 233 H C 2.036 177.306 175.328 -0.097 0.000 1.070 233 H CA 1.231 57.203 56.048 -0.127 0.000 1.356 233 H CB -0.617 29.091 29.762 -0.090 0.000 1.401 233 H HN 0.373 nan 8.280 nan 0.000 0.524 234 A N 1.211 123.536 122.820 -0.825 0.000 1.970 234 A HA 0.119 4.438 4.320 -0.001 0.000 0.216 234 A C 2.720 180.295 177.584 -0.014 0.000 1.170 234 A CA 0.919 52.740 52.037 -0.360 0.000 0.645 234 A CB -1.005 17.890 19.000 -0.175 0.000 0.816 234 A HN 0.571 nan 8.150 nan 0.000 0.447 235 G N -0.760 108.121 108.800 0.136 0.000 2.534 235 G HA2 0.061 4.021 3.960 -0.001 0.000 0.217 235 G HA3 0.061 4.021 3.960 -0.001 0.000 0.217 235 G C 1.381 176.250 174.900 -0.052 0.000 1.128 235 G CA 1.828 47.074 45.100 0.244 0.000 0.784 235 G HN 0.638 nan 8.290 nan 0.000 0.542 236 T N -1.947 112.497 114.554 -0.182 0.000 3.364 236 T HA 0.137 4.487 4.350 -0.001 0.000 0.190 236 T C 2.232 176.811 174.700 -0.203 0.000 0.798 236 T CA 1.804 63.751 62.100 -0.255 0.000 1.773 236 T CB -0.178 68.423 68.868 -0.445 0.000 2.078 236 T HN 0.121 nan 8.240 nan 0.000 0.437 237 T N -1.146 113.267 114.554 -0.236 0.000 3.071 237 T HA 0.124 4.474 4.350 -0.001 0.000 0.239 237 T C 2.168 176.724 174.700 -0.241 0.000 0.997 237 T CA 0.949 62.927 62.100 -0.204 0.000 1.134 237 T CB -1.207 67.550 68.868 -0.185 0.000 0.928 237 T HN 0.394 nan 8.240 nan 0.000 0.453 238 T N 1.825 116.193 114.554 -0.310 0.000 2.684 238 T HA -0.211 4.138 4.350 -0.001 0.000 0.267 238 T C 1.226 175.583 174.700 -0.571 0.000 1.032 238 T CA 1.978 63.803 62.100 -0.459 0.000 1.155 238 T CB -0.484 68.067 68.868 -0.530 0.000 0.857 238 T HN 0.532 nan 8.240 nan 0.000 0.457 239 H N -0.235 118.675 119.070 -0.267 0.000 2.592 239 H HA 0.399 4.955 4.556 -0.001 0.000 0.279 239 H C 1.779 176.884 175.328 -0.372 0.000 1.089 239 H CA -0.323 55.451 56.048 -0.457 0.000 1.150 239 H CB -0.230 29.120 29.762 -0.687 0.000 1.575 239 H HN 0.281 nan 8.280 nan 0.000 0.547 240 L N 0.818 121.949 121.223 -0.153 0.000 2.051 240 L HA -0.254 4.086 4.340 -0.001 0.000 0.214 240 L C 2.490 179.289 176.870 -0.118 0.000 1.076 240 L CA 2.104 56.876 54.840 -0.114 0.000 0.758 240 L CB -0.416 41.582 42.059 -0.103 0.000 0.890 240 L HN 0.272 nan 8.230 nan 0.000 0.433 241 S N -0.910 114.707 115.700 -0.138 0.000 2.436 241 S HA -0.011 4.458 4.470 -0.001 0.000 0.228 241 S C 2.043 176.557 174.600 -0.143 0.000 1.014 241 S CA 0.499 58.628 58.200 -0.117 0.000 0.950 241 S CB -0.564 62.574 63.200 -0.103 0.000 0.784 241 S HN 0.403 nan 8.310 nan 0.000 0.504 242 G N 2.188 110.824 108.800 -0.274 0.000 2.402 242 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.216 242 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.216 242 G C 1.365 176.191 174.900 -0.125 0.000 1.162 242 G CA 0.868 45.728 45.100 -0.400 0.000 0.777 242 G HN 0.563 nan 8.290 nan 0.000 0.539 243 I N 0.311 120.803 120.570 -0.129 0.000 2.226 243 I HA -0.102 4.067 4.170 -0.001 0.000 0.245 243 I C 2.542 178.671 176.117 0.019 0.000 1.100 243 I CA 0.529 61.856 61.300 0.045 0.000 1.374 243 I CB -0.273 37.749 38.000 0.037 0.000 1.057 243 I HN 0.172 nan 8.210 nan 0.000 0.413 244 L N 1.538 122.747 121.223 -0.024 0.000 2.043 244 L HA -0.226 4.113 4.340 -0.001 0.000 0.212 244 L C 2.506 179.371 176.870 -0.007 0.000 1.075 244 L CA 2.235 57.063 54.840 -0.020 0.000 0.752 244 L CB -0.683 41.353 42.059 -0.038 0.000 0.891 244 L HN 0.208 nan 8.230 nan 0.000 0.432 245 A N -0.937 121.880 122.820 -0.006 0.000 2.070 245 A HA 0.023 4.342 4.320 -0.001 0.000 0.220 245 A C 2.216 179.815 177.584 0.025 0.000 1.159 245 A CA 1.356 53.396 52.037 0.005 0.000 0.656 245 A CB -1.215 17.786 19.000 0.002 0.000 0.800 245 A HN 0.579 nan 8.150 nan 0.000 0.453 246 G N 0.055 108.883 108.800 0.047 0.000 2.510 246 G HA2 0.270 4.229 3.960 -0.001 0.000 0.212 246 G HA3 0.270 4.229 3.960 -0.001 0.000 0.212 246 G C 0.828 175.749 174.900 0.036 0.000 1.151 246 G CA 0.398 45.530 45.100 0.054 0.000 0.817 246 G HN 0.670 nan 8.290 nan 0.000 0.534 247 I N -0.057 120.529 120.570 0.027 0.000 2.938 247 I HA 0.356 4.526 4.170 -0.001 0.000 0.285 247 I C -2.330 173.795 176.117 0.013 0.000 1.182 247 I CA -1.871 59.440 61.300 0.018 0.000 1.388 247 I CB 0.103 38.110 38.000 0.012 0.000 1.390 247 I HN -0.173 nan 8.210 nan 0.000 0.600 248 P HA 0.099 nan 4.420 nan 0.000 0.267 248 P C -2.094 175.208 177.300 0.004 0.000 1.201 248 P CA -0.782 62.323 63.100 0.009 0.000 0.775 248 P CB -0.156 31.549 31.700 0.008 0.000 0.854 249 P HA -0.217 nan 4.420 nan 0.000 0.217 249 P C 0.867 178.166 177.300 -0.002 0.000 1.151 249 P CA 1.585 64.684 63.100 -0.002 0.000 0.849 249 P CB -0.038 31.661 31.700 -0.002 0.000 0.787 250 E N -1.450 118.750 120.200 -0.001 0.000 2.208 250 E HA -0.036 4.314 4.350 -0.001 0.000 0.193 250 E C 1.153 177.752 176.600 -0.002 0.000 0.988 250 E CA 0.440 56.839 56.400 -0.001 0.000 0.828 250 E CB -0.548 29.152 29.700 0.000 0.000 0.763 250 E HN 0.278 nan 8.360 nan 0.000 0.478 251 M N 2.070 121.669 119.600 -0.000 0.000 2.250 251 M HA 0.112 4.591 4.480 -0.001 0.000 0.344 251 M C -1.227 175.070 176.300 -0.004 0.000 1.150 251 M CA -0.370 54.930 55.300 -0.001 0.000 1.147 251 M CB 0.679 33.280 32.600 0.002 0.000 1.498 251 M HN -0.041 nan 8.290 nan 0.000 0.461 252 D N 2.514 122.911 120.400 -0.006 0.000 2.433 252 D HA 0.261 4.901 4.640 -0.001 0.000 0.236 252 D C 0.679 176.973 176.300 -0.010 0.000 1.026 252 D CA -0.765 53.229 54.000 -0.009 0.000 0.884 252 D CB 0.938 41.731 40.800 -0.012 0.000 1.384 252 D HN 0.609 nan 8.370 nan 0.000 0.477 253 L N 0.496 121.710 121.223 -0.014 0.000 2.198 253 L HA -0.356 3.984 4.340 -0.001 0.000 0.218 253 L C 2.234 179.096 176.870 -0.014 0.000 1.084 253 L CA 2.177 57.007 54.840 -0.016 0.000 0.779 253 L CB -0.706 41.337 42.059 -0.025 0.000 0.890 253 L HN 0.626 nan 8.230 nan 0.000 0.439 254 S N -1.068 114.624 115.700 -0.014 0.000 2.370 254 S HA -0.289 4.180 4.470 -0.001 0.000 0.226 254 S C 1.814 176.409 174.600 -0.007 0.000 1.033 254 S CA 1.363 59.556 58.200 -0.011 0.000 1.011 254 S CB -0.377 62.816 63.200 -0.011 0.000 0.852 254 S HN 0.417 nan 8.310 nan 0.000 0.457 255 Q N 1.581 121.378 119.800 -0.005 0.000 2.378 255 Q HA 0.457 4.796 4.340 -0.001 0.000 0.205 255 Q C 0.828 176.828 176.000 -0.001 0.000 0.954 255 Q CA 0.722 56.524 55.803 -0.002 0.000 0.901 255 Q CB -0.373 28.365 28.738 -0.000 0.000 0.981 255 Q HN 0.734 nan 8.270 nan 0.000 0.483 256 A N 0.952 123.771 122.820 -0.002 0.000 2.450 256 A HA 0.222 4.542 4.320 -0.001 0.000 0.255 256 A C -0.182 177.400 177.584 -0.003 0.000 1.096 256 A CA -0.282 51.755 52.037 0.000 0.000 0.778 256 A CB 0.202 19.204 19.000 0.003 0.000 1.031 256 A HN 0.123 nan 8.150 nan 0.000 0.494 257 Q N 2.379 122.176 119.800 -0.004 0.000 2.296 257 Q HA 0.516 4.856 4.340 -0.001 0.000 0.257 257 Q C -1.180 174.802 176.000 -0.030 0.000 0.942 257 Q CA 0.252 56.047 55.803 -0.014 0.000 0.939 257 Q CB 0.414 29.145 28.738 -0.012 0.000 1.198 257 Q HN 0.593 nan 8.270 nan 0.000 0.429 258 I N 7.731 128.280 120.570 -0.034 0.000 2.306 258 I HA 0.319 4.488 4.170 -0.001 0.000 0.288 258 I C -1.880 174.166 176.117 -0.118 0.000 1.036 258 I CA -2.303 58.962 61.300 -0.058 0.000 1.221 258 I CB 1.138 39.132 38.000 -0.010 0.000 1.385 258 I HN 0.601 nan 8.210 nan 0.000 0.472 259 P HA -0.041 nan 4.420 nan 0.000 0.269 259 P C 0.590 177.771 177.300 -0.200 0.000 1.205 259 P CA 0.351 63.200 63.100 -0.419 0.000 0.780 259 P CB 0.604 31.667 31.700 -1.062 0.000 0.858 260 T N -2.499 112.073 114.554 0.029 0.000 3.250 260 T HA 0.186 4.536 4.350 -0.001 0.000 0.265 260 T C 0.262 175.223 174.700 0.434 0.000 0.973 260 T CA -0.149 62.156 62.100 0.341 0.000 1.040 260 T CB -0.001 69.028 68.868 0.269 0.000 1.167 260 T HN 0.131 nan 8.240 nan 0.000 0.471 261 K N 1.682 122.274 120.400 0.320 0.000 2.201 261 K HA 0.667 4.987 4.320 -0.001 0.000 0.278 261 K C 0.021 176.808 176.600 0.311 0.000 1.027 261 K CA -0.208 56.316 56.287 0.395 0.000 0.909 261 K CB 1.447 34.120 32.500 0.289 0.000 1.062 261 K HN 0.581 nan 8.250 nan 0.000 0.465 262 G N 1.785 110.736 108.800 0.251 0.000 2.428 262 G HA2 0.198 4.158 3.960 -0.001 0.000 0.305 262 G HA3 0.198 4.158 3.960 -0.001 0.000 0.305 262 G C -1.572 173.200 174.900 -0.215 0.000 1.260 262 G CA -0.659 44.458 45.100 0.030 0.000 0.853 262 G HN 0.546 nan 8.290 nan 0.000 0.480 263 N N -0.513 117.712 118.700 -0.791 0.000 2.647 263 N HA 0.535 5.274 4.740 -0.001 0.000 0.266 263 N C -1.437 173.124 175.510 -1.582 0.000 1.373 263 N CA -0.526 51.929 53.050 -0.991 0.000 0.807 263 N CB 2.777 40.841 38.487 -0.704 0.000 1.513 263 N HN 0.643 nan 8.380 nan 0.000 0.505 264 Q N 0.878 120.041 119.800 -1.060 0.000 2.359 264 Q HA 0.430 4.770 4.340 -0.001 0.000 0.274 264 Q C -1.926 173.806 176.000 -0.446 0.000 1.074 264 Q CA -0.634 54.658 55.803 -0.852 0.000 0.810 264 Q CB 2.052 30.498 28.738 -0.487 0.000 1.342 264 Q HN 0.533 nan 8.270 nan 0.000 0.427 265 F N 3.036 122.716 119.950 -0.450 0.000 2.469 265 F HA 0.594 5.121 4.527 -0.001 0.000 0.332 265 F C -1.133 174.560 175.800 -0.179 0.000 1.103 265 F CA -0.763 57.093 58.000 -0.240 0.000 0.979 265 F CB 1.381 40.135 39.000 -0.411 0.000 1.137 265 F HN 0.575 nan 8.300 nan 0.000 0.463 266 R N 5.264 125.223 120.500 -0.902 0.000 2.387 266 R HA 0.755 5.095 4.340 -0.001 0.000 0.314 266 R C -0.892 174.643 176.300 -1.274 0.000 0.958 266 R CA -0.748 54.823 56.100 -0.881 0.000 0.846 266 R CB 1.279 31.328 30.300 -0.418 0.000 1.147 266 R HN 0.918 nan 8.270 nan 0.000 0.447 267 A N 3.352 125.547 122.820 -1.042 0.000 2.531 267 A HA 0.278 4.598 4.320 -0.001 0.000 0.236 267 A C 1.256 178.721 177.584 -0.199 0.000 1.062 267 A CA 0.560 52.322 52.037 -0.457 0.000 0.760 267 A CB 0.339 19.279 19.000 -0.100 0.000 0.995 267 A HN 1.050 nan 8.150 nan 0.000 0.501 268 A N 1.658 124.503 122.820 0.042 0.000 1.902 268 A HA 0.082 4.402 4.320 -0.001 0.000 0.217 268 A C 0.648 178.322 177.584 0.150 0.000 1.181 268 A CA 1.566 53.662 52.037 0.099 0.000 0.623 268 A CB -0.235 18.869 19.000 0.173 0.000 0.818 268 A HN 1.208 nan 8.150 nan 0.000 0.443 269 W N -3.094 118.168 121.300 -0.064 0.000 3.138 269 W HA 0.458 5.118 4.660 -0.001 0.000 0.331 269 W C 0.491 176.797 176.519 -0.355 0.000 1.166 269 W CA 0.211 57.484 57.345 -0.120 0.000 1.212 269 W CB 1.318 30.764 29.460 -0.024 0.000 1.399 269 W HN 0.752 nan 8.180 nan 0.000 0.514 270 G N 1.622 109.545 108.800 -1.461 0.000 2.391 270 G HA2 0.172 4.131 3.960 -0.001 0.000 0.204 270 G HA3 0.172 4.131 3.960 -0.001 0.000 0.204 270 G C 0.933 174.566 174.900 -2.112 0.000 1.012 270 G CA 0.527 44.305 45.100 -2.203 0.000 0.651 270 G HN 2.144 nan 8.290 nan 0.000 0.494 271 G N 0.115 108.144 108.800 -1.285 0.000 2.131 271 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.223 271 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.223 271 G C 0.086 174.682 174.900 -0.507 0.000 0.990 271 G CA 0.669 45.261 45.100 -0.846 0.000 0.671 271 G HN 1.407 nan 8.290 nan 0.000 0.521 272 H N 0.327 119.276 119.070 -0.201 0.000 2.582 272 H HA 0.612 5.167 4.556 -0.001 0.000 0.345 272 H C 0.757 176.038 175.328 -0.079 0.000 1.104 272 H CA 0.496 56.530 56.048 -0.023 0.000 1.390 272 H CB 1.481 31.293 29.762 0.083 0.000 1.461 272 H HN 0.665 nan 8.280 nan 0.000 0.551 273 G N -0.374 108.497 108.800 0.117 0.000 2.690 273 G HA2 0.446 4.406 3.960 -0.001 0.000 0.293 273 G HA3 0.446 4.406 3.960 -0.001 0.000 0.293 273 G C -1.221 173.709 174.900 0.050 0.000 1.399 273 G CA -0.600 44.507 45.100 0.012 0.000 0.890 273 G HN 0.615 nan 8.290 nan 0.000 0.485 274 S N -1.170 114.522 115.700 -0.013 0.000 2.548 274 S HA 0.757 5.227 4.470 -0.001 0.000 0.278 274 S C -0.228 174.185 174.600 -0.310 0.000 1.150 274 S CA 0.121 58.208 58.200 -0.188 0.000 0.907 274 S CB 1.262 64.443 63.200 -0.031 0.000 1.108 274 S HN 1.661 nan 8.310 nan 0.000 0.459 275 G N 2.030 110.368 108.800 -0.771 0.000 2.569 275 G HA2 0.856 4.816 3.960 -0.001 0.000 0.300 275 G HA3 0.856 4.816 3.960 -0.001 0.000 0.300 275 G C -1.597 173.121 174.900 -0.302 0.000 1.269 275 G CA -0.738 43.960 45.100 -0.670 0.000 0.959 275 G HN 1.039 nan 8.290 nan 0.000 0.478 276 W N -0.609 120.484 121.300 -0.344 0.000 3.419 276 W HA 0.616 5.276 4.660 -0.001 0.000 0.298 276 W C -1.888 174.489 176.519 -0.238 0.000 1.260 276 W CA -1.962 55.224 57.345 -0.263 0.000 1.199 276 W CB 0.528 29.881 29.460 -0.180 0.000 1.349 276 W HN 0.556 nan 8.180 nan 0.000 0.557 277 Y N 1.615 122.007 120.300 0.154 0.000 2.304 277 Y HA 0.529 5.078 4.550 -0.001 0.000 0.327 277 Y C 0.413 176.468 175.900 0.259 0.000 1.209 277 Y CA -1.022 57.143 58.100 0.108 0.000 1.299 277 Y CB 1.391 39.906 38.460 0.091 0.000 1.249 277 Y HN 0.223 nan 8.280 nan 0.000 0.519 278 V N 2.972 123.144 119.914 0.429 0.000 2.513 278 V HA 0.124 4.244 4.120 -0.001 0.000 0.299 278 V C -0.028 176.237 176.094 0.285 0.000 1.035 278 V CA -0.779 61.762 62.300 0.401 0.000 0.889 278 V CB 1.529 33.627 31.823 0.459 0.000 0.988 278 V HN 0.942 nan 8.190 nan 0.000 0.440 279 D N 2.237 122.787 120.400 0.249 0.000 3.067 279 D HA -0.188 4.452 4.640 -0.001 0.000 0.216 279 D C 0.418 176.800 176.300 0.137 0.000 1.162 279 D CA 1.578 55.684 54.000 0.177 0.000 0.960 279 D CB -0.215 40.680 40.800 0.160 0.000 1.129 279 D HN 0.793 nan 8.370 nan 0.000 0.408 280 E N -0.235 120.049 120.200 0.141 0.000 2.489 280 E HA 0.229 4.579 4.350 -0.001 0.000 0.232 280 E C -1.892 174.757 176.600 0.081 0.000 0.990 280 E CA -1.371 55.074 56.400 0.076 0.000 0.768 280 E CB 1.091 30.793 29.700 0.004 0.000 1.270 280 E HN -0.034 nan 8.360 nan 0.000 0.423 281 P HA 0.067 nan 4.420 nan 0.000 0.249 281 P C 1.047 178.380 177.300 0.055 0.000 1.241 281 P CA 0.177 63.331 63.100 0.091 0.000 0.781 281 P CB 0.622 32.379 31.700 0.094 0.000 1.088 282 G N 1.823 110.642 108.800 0.031 0.000 2.421 282 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.216 282 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.216 282 G C 1.694 176.605 174.900 0.019 0.000 1.171 282 G CA 1.223 46.332 45.100 0.015 0.000 0.775 282 G HN 0.430 nan 8.290 nan 0.000 0.543 283 S N 0.257 115.973 115.700 0.026 0.000 2.453 283 S HA 0.037 4.507 4.470 -0.001 0.000 0.231 283 S C 2.138 176.769 174.600 0.053 0.000 1.005 283 S CA 1.033 59.272 58.200 0.065 0.000 0.949 283 S CB -0.146 63.124 63.200 0.117 0.000 0.774 283 S HN 0.206 nan 8.310 nan 0.000 0.510 284 L N 0.531 121.777 121.223 0.039 0.000 2.240 284 L HA 0.365 4.705 4.340 -0.001 0.000 0.211 284 L C 1.985 178.813 176.870 -0.070 0.000 1.106 284 L CA 0.971 55.799 54.840 -0.019 0.000 0.793 284 L CB -0.558 41.502 42.059 0.003 0.000 0.927 284 L HN 0.336 nan 8.230 nan 0.000 0.446 285 L N -0.481 120.721 121.223 -0.036 0.000 2.072 285 L HA 0.055 4.395 4.340 -0.001 0.000 0.205 285 L C 2.467 179.293 176.870 -0.073 0.000 1.079 285 L CA 1.665 56.472 54.840 -0.055 0.000 0.752 285 L CB -0.592 41.459 42.059 -0.014 0.000 0.906 285 L HN 0.241 nan 8.230 nan 0.000 0.436 286 A N -1.431 121.370 122.820 -0.032 0.000 1.969 286 A HA -0.078 4.242 4.320 -0.001 0.000 0.218 286 A C 2.093 179.655 177.584 -0.037 0.000 1.169 286 A CA 1.818 53.852 52.037 -0.005 0.000 0.635 286 A CB -0.645 18.384 19.000 0.048 0.000 0.810 286 A HN 0.295 nan 8.150 nan 0.000 0.445 287 V N -1.320 118.529 119.914 -0.109 0.000 2.575 287 V HA -0.017 4.103 4.120 -0.001 0.000 0.242 287 V C 2.158 178.067 176.094 -0.308 0.000 1.045 287 V CA 1.352 63.526 62.300 -0.210 0.000 1.065 287 V CB -0.296 31.354 31.823 -0.289 0.000 0.717 287 V HN 0.447 nan 8.190 nan 0.000 0.467 288 M N -0.551 118.796 119.600 -0.422 0.000 2.337 288 M HA 0.397 4.877 4.480 -0.001 0.000 0.256 288 M C 0.976 176.644 176.300 -1.053 0.000 1.075 288 M CA 0.859 55.719 55.300 -0.733 0.000 1.024 288 M CB 0.111 32.422 32.600 -0.480 0.000 1.429 288 M HN 0.499 nan 8.290 nan 0.000 0.497 289 G N 1.751 110.178 108.800 -0.623 0.000 2.746 289 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.685 289 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.685 289 G C -2.243 172.559 174.900 -0.162 0.000 1.350 289 G CA -0.524 44.386 45.100 -0.317 0.000 0.837 289 G HN 0.103 nan 8.290 nan 0.000 0.564 290 P HA -0.071 nan 4.420 nan 0.000 0.217 290 P C 1.593 178.897 177.300 0.005 0.000 1.150 290 P CA 1.551 64.642 63.100 -0.014 0.000 0.832 290 P CB 0.047 31.752 31.700 0.008 0.000 0.787 291 K N -0.243 120.158 120.400 0.002 0.000 2.057 291 K HA -0.058 4.261 4.320 -0.001 0.000 0.207 291 K C 2.134 178.760 176.600 0.043 0.000 1.049 291 K CA 1.231 57.535 56.287 0.029 0.000 0.931 291 K CB -0.658 31.856 32.500 0.024 0.000 0.714 291 K HN -0.000 nan 8.250 nan 0.000 0.440 292 V N 1.162 121.047 119.914 -0.049 0.000 2.453 292 V HA -0.190 3.929 4.120 -0.001 0.000 0.247 292 V C 2.081 178.231 176.094 0.093 0.000 1.048 292 V CA 1.892 64.148 62.300 -0.073 0.000 1.049 292 V CB -0.476 31.091 31.823 -0.426 0.000 0.672 292 V HN 0.391 nan 8.190 nan 0.000 0.457 293 T N -0.449 114.127 114.554 0.036 0.000 2.746 293 T HA -0.293 4.057 4.350 -0.001 0.000 0.267 293 T C 1.913 176.719 174.700 0.177 0.000 1.039 293 T CA 1.901 64.068 62.100 0.111 0.000 1.142 293 T CB -0.242 68.653 68.868 0.045 0.000 0.866 293 T HN 0.465 nan 8.240 nan 0.000 0.444 294 Q N 0.091 119.976 119.800 0.142 0.000 2.112 294 Q HA -0.178 4.162 4.340 -0.001 0.000 0.206 294 Q C 1.947 178.066 176.000 0.198 0.000 0.987 294 Q CA 1.670 57.559 55.803 0.144 0.000 0.858 294 Q CB -0.486 28.323 28.738 0.119 0.000 0.905 294 Q HN 0.721 nan 8.270 nan 0.000 0.420 295 Y N -1.248 119.131 120.300 0.131 0.000 2.286 295 Y HA -0.147 4.403 4.550 -0.001 0.000 0.293 295 Y C 1.807 177.834 175.900 0.211 0.000 1.124 295 Y CA 1.476 59.672 58.100 0.160 0.000 1.178 295 Y CB -0.253 38.323 38.460 0.194 0.000 1.010 295 Y HN 0.372 nan 8.280 nan 0.000 0.536 296 W N 0.912 122.297 121.300 0.142 0.000 2.658 296 W HA -0.063 4.597 4.660 -0.001 0.000 0.263 296 W C 1.318 177.844 176.519 0.012 0.000 1.274 296 W CA 1.933 59.324 57.345 0.076 0.000 1.343 296 W CB 0.074 29.634 29.460 0.167 0.000 1.106 296 W HN 0.315 nan 8.180 nan 0.000 0.615 297 T N -3.159 111.484 114.554 0.148 0.000 3.019 297 T HA 0.135 4.484 4.350 -0.001 0.000 0.247 297 T C 0.448 175.148 174.700 0.001 0.000 0.992 297 T CA 0.082 62.218 62.100 0.060 0.000 1.036 297 T CB 0.524 69.476 68.868 0.140 0.000 1.063 297 T HN -0.263 nan 8.240 nan 0.000 0.476 298 E N 0.902 121.116 120.200 0.022 0.000 2.264 298 E HA 0.650 5.000 4.350 -0.001 0.000 0.260 298 E C 0.531 177.116 176.600 -0.024 0.000 0.961 298 E CA 0.110 56.512 56.400 0.003 0.000 0.834 298 E CB 1.489 31.209 29.700 0.033 0.000 1.230 298 E HN 0.659 nan 8.360 nan 0.000 0.412 299 G N 1.048 109.834 108.800 -0.024 0.000 2.685 299 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.387 299 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.387 299 G C -2.216 172.645 174.900 -0.065 0.000 1.324 299 G CA -0.413 44.670 45.100 -0.029 0.000 0.878 299 G HN 0.403 nan 8.290 nan 0.000 0.527 300 P HA 0.118 nan 4.420 nan 0.000 0.219 300 P C 2.069 179.301 177.300 -0.113 0.000 1.150 300 P CA 2.614 65.676 63.100 -0.063 0.000 0.814 300 P CB -0.018 31.665 31.700 -0.029 0.000 0.787 301 A N 0.211 122.924 122.820 -0.179 0.000 1.897 301 A HA 0.050 4.369 4.320 -0.001 0.000 0.215 301 A C 2.303 179.678 177.584 -0.347 0.000 1.181 301 A CA 1.671 53.531 52.037 -0.295 0.000 0.620 301 A CB -1.471 17.192 19.000 -0.563 0.000 0.821 301 A HN 0.180 nan 8.150 nan 0.000 0.443 302 A N -0.225 122.385 122.820 -0.349 0.000 2.015 302 A HA -0.101 4.219 4.320 -0.001 0.000 0.219 302 A C 1.861 179.302 177.584 -0.238 0.000 1.163 302 A CA 1.493 53.333 52.037 -0.329 0.000 0.646 302 A CB -0.389 18.453 19.000 -0.263 0.000 0.806 302 A HN 0.625 nan 8.150 nan 0.000 0.448 303 E N -0.914 119.182 120.200 -0.173 0.000 2.152 303 E HA -0.099 4.250 4.350 -0.001 0.000 0.192 303 E C 1.791 178.318 176.600 -0.121 0.000 0.983 303 E CA 0.799 57.123 56.400 -0.127 0.000 0.818 303 E CB -0.122 29.524 29.700 -0.090 0.000 0.758 303 E HN 0.490 nan 8.360 nan 0.000 0.467 304 L N 0.585 121.731 121.223 -0.129 0.000 2.156 304 L HA -0.023 4.317 4.340 -0.001 0.000 0.208 304 L C 2.065 178.859 176.870 -0.126 0.000 1.095 304 L CA 1.429 56.204 54.840 -0.109 0.000 0.770 304 L CB -0.291 41.711 42.059 -0.095 0.000 0.914 304 L HN 0.005 nan 8.230 nan 0.000 0.439 305 A N -1.055 121.656 122.820 -0.182 0.000 1.897 305 A HA -0.197 4.122 4.320 -0.001 0.000 0.215 305 A C 2.311 179.779 177.584 -0.193 0.000 1.181 305 A CA 1.481 53.391 52.037 -0.212 0.000 0.620 305 A CB -0.570 18.228 19.000 -0.336 0.000 0.821 305 A HN 0.519 nan 8.150 nan 0.000 0.443 306 E N -0.718 119.367 120.200 -0.191 0.000 2.150 306 E HA -0.219 4.130 4.350 -0.001 0.000 0.193 306 E C 2.165 178.695 176.600 -0.117 0.000 0.985 306 E CA 1.104 57.409 56.400 -0.158 0.000 0.814 306 E CB -0.066 29.548 29.700 -0.143 0.000 0.752 306 E HN 0.763 nan 8.360 nan 0.000 0.466 307 Q N 0.127 119.869 119.800 -0.098 0.000 2.049 307 Q HA -0.098 4.241 4.340 -0.001 0.000 0.198 307 Q C 2.082 178.060 176.000 -0.037 0.000 0.971 307 Q CA 1.022 56.787 55.803 -0.064 0.000 0.833 307 Q CB 0.146 28.848 28.738 -0.060 0.000 0.896 307 Q HN 0.110 nan 8.270 nan 0.000 0.434 308 R N -0.350 120.125 120.500 -0.042 0.000 2.235 308 R HA 0.024 4.363 4.340 -0.001 0.000 0.213 308 R C 1.420 177.763 176.300 0.071 0.000 1.059 308 R CA 0.582 56.684 56.100 0.003 0.000 0.997 308 R CB 0.233 30.518 30.300 -0.025 0.000 0.884 308 R HN 0.288 nan 8.270 nan 0.000 0.462 309 L N -1.260 119.936 121.223 -0.045 0.000 2.808 309 L HA 0.249 4.588 4.340 -0.001 0.000 0.246 309 L C 1.859 178.535 176.870 -0.324 0.000 1.153 309 L CA -0.232 54.478 54.840 -0.217 0.000 0.956 309 L CB 0.671 42.588 42.059 -0.237 0.000 1.270 309 L HN 0.176 nan 8.230 nan 0.000 0.528 310 G N 0.576 109.298 108.800 -0.130 0.000 2.499 310 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.221 310 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.221 310 G C 1.410 176.246 174.900 -0.108 0.000 1.109 310 G CA 0.957 45.990 45.100 -0.110 0.000 0.749 310 G HN 0.644 nan 8.290 nan 0.000 0.568 311 H N 0.368 119.393 119.070 -0.075 0.000 2.545 311 H HA -0.041 4.514 4.556 -0.001 0.000 0.282 311 H C 2.063 177.347 175.328 -0.073 0.000 1.020 311 H CA 1.606 57.615 56.048 -0.065 0.000 1.243 311 H CB -0.748 28.980 29.762 -0.057 0.000 1.377 311 H HN 0.427 nan 8.280 nan 0.000 0.581 312 T N -3.768 110.466 114.554 -0.532 0.000 3.067 312 T HA 0.286 4.636 4.350 -0.001 0.000 0.257 312 T C 1.885 176.444 174.700 -0.235 0.000 1.105 312 T CA 0.845 62.712 62.100 -0.388 0.000 1.104 312 T CB -0.193 68.375 68.868 -0.501 0.000 0.925 312 T HN 0.572 nan 8.240 nan 0.000 0.498 313 G N 1.685 110.364 108.800 -0.203 0.000 2.234 313 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.260 313 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.260 313 G C 0.159 174.944 174.900 -0.192 0.000 0.987 313 G CA 0.281 45.287 45.100 -0.157 0.000 0.625 313 G HN 0.597 nan 8.290 nan 0.000 0.532 314 M N 1.866 121.339 119.600 -0.213 0.000 2.217 314 M HA 0.302 4.782 4.480 -0.001 0.000 0.352 314 M C -2.276 173.931 176.300 -0.155 0.000 1.376 314 M CA -1.203 53.983 55.300 -0.189 0.000 1.107 314 M CB 0.467 32.982 32.600 -0.141 0.000 1.723 314 M HN -0.072 nan 8.290 nan 0.000 0.461 315 P HA 0.056 nan 4.420 nan 0.000 0.273 315 P C 0.826 178.128 177.300 0.003 0.000 1.428 315 P CA -0.252 62.810 63.100 -0.064 0.000 0.995 315 P CB 0.053 31.727 31.700 -0.044 0.000 1.286 316 V N 2.157 122.028 119.914 -0.072 0.000 2.719 316 V HA -0.088 4.032 4.120 -0.001 0.000 0.252 316 V C 1.727 177.771 176.094 -0.083 0.000 1.065 316 V CA 0.921 63.163 62.300 -0.097 0.000 1.086 316 V CB -0.930 30.766 31.823 -0.211 0.000 0.700 316 V HN 0.259 nan 8.190 nan 0.000 0.467 317 R N 0.453 120.903 120.500 -0.083 0.000 2.236 317 R HA 0.133 4.473 4.340 -0.001 0.000 0.208 317 R C 2.317 178.664 176.300 0.078 0.000 1.036 317 R CA 0.905 56.975 56.100 -0.050 0.000 1.001 317 R CB -0.214 30.045 30.300 -0.069 0.000 0.896 317 R HN 0.506 nan 8.270 nan 0.000 0.464 318 R N -0.051 120.514 120.500 0.109 0.000 2.223 318 R HA 0.190 4.529 4.340 -0.001 0.000 0.198 318 R C 0.585 177.041 176.300 0.259 0.000 0.984 318 R CA 0.205 56.412 56.100 0.178 0.000 1.018 318 R CB 0.191 30.597 30.300 0.177 0.000 0.945 318 R HN 0.052 nan 8.270 nan 0.000 0.479 319 M N 2.059 121.811 119.600 0.254 0.000 2.194 319 M HA 0.085 4.565 4.480 -0.001 0.000 0.347 319 M C -0.647 175.874 176.300 0.367 0.000 1.439 319 M CA 0.056 55.523 55.300 0.278 0.000 1.131 319 M CB 1.196 33.849 32.600 0.088 0.000 1.733 319 M HN -0.126 nan 8.290 nan 0.000 0.467 320 V N 0.860 120.992 119.914 0.362 0.000 2.439 320 V HA 0.832 4.952 4.120 -0.001 0.000 0.277 320 V C 0.185 176.444 176.094 0.275 0.000 1.008 320 V CA -0.407 62.084 62.300 0.320 0.000 0.846 320 V CB 0.803 32.792 31.823 0.277 0.000 1.031 320 V HN 1.074 nan 8.190 nan 0.000 0.441 321 G N 2.610 111.511 108.800 0.169 0.000 2.580 321 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.204 321 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.204 321 G C -0.306 174.654 174.900 0.099 0.000 1.107 321 G CA 0.075 45.245 45.100 0.116 0.000 0.881 321 G HN 1.118 nan 8.290 nan 0.000 0.497 322 Q N 0.104 119.977 119.800 0.122 0.000 2.293 322 Q HA 0.557 4.896 4.340 -0.001 0.000 0.251 322 Q C 0.499 176.560 176.000 0.103 0.000 0.930 322 Q CA -0.451 55.437 55.803 0.141 0.000 0.893 322 Q CB 0.491 29.345 28.738 0.194 0.000 1.215 322 Q HN 0.863 nan 8.270 nan 0.000 0.425 323 H N 1.920 120.992 119.070 0.002 0.000 2.679 323 H HA 0.748 5.304 4.556 -0.001 0.000 0.367 323 H C -1.135 174.173 175.328 -0.034 0.000 1.162 323 H CA -1.080 54.936 56.048 -0.054 0.000 1.181 323 H CB 1.619 31.289 29.762 -0.153 0.000 1.693 323 H HN 0.624 nan 8.280 nan 0.000 0.538 324 M N 1.966 121.501 119.600 -0.108 0.000 2.414 324 M HA 0.387 4.867 4.480 -0.001 0.000 0.287 324 M C -1.879 174.259 176.300 -0.270 0.000 1.181 324 M CA -0.199 54.916 55.300 -0.307 0.000 0.933 324 M CB 2.517 34.767 32.600 -0.583 0.000 1.732 324 M HN 0.858 nan 8.290 nan 0.000 0.486 325 T N 4.806 119.340 114.554 -0.035 0.000 2.812 325 T HA 0.557 4.907 4.350 -0.001 0.000 0.282 325 T C -0.672 174.158 174.700 0.217 0.000 0.990 325 T CA -0.505 61.664 62.100 0.116 0.000 0.960 325 T CB 1.029 70.063 68.868 0.277 0.000 0.948 325 T HN 0.433 nan 8.240 nan 0.000 0.438 326 I N 4.128 124.875 120.570 0.296 0.000 2.281 326 I HA 0.244 4.414 4.170 -0.001 0.000 0.293 326 I C 0.354 176.819 176.117 0.580 0.000 1.085 326 I CA -0.979 60.585 61.300 0.440 0.000 1.257 326 I CB -0.481 37.759 38.000 0.400 0.000 1.430 326 I HN 0.635 nan 8.210 nan 0.000 0.489 327 F N 10.277 130.549 119.950 0.537 0.000 2.635 327 F HA 0.047 4.573 4.527 -0.001 0.000 0.379 327 F C -1.205 174.863 175.800 0.446 0.000 1.094 327 F CA -0.446 57.753 58.000 0.332 0.000 1.300 327 F CB 0.609 39.614 39.000 0.009 0.000 1.035 327 F HN 0.390 nan 8.300 nan 0.000 0.581 328 P HA 0.027 nan 4.420 nan 0.000 0.228 328 P C 0.213 177.461 177.300 -0.086 0.000 1.166 328 P CA 1.080 63.594 63.100 -0.976 0.000 0.812 328 P CB 0.300 31.215 31.700 -1.307 0.000 0.857 329 T N -4.509 110.115 114.554 0.117 0.000 3.604 329 T HA 0.228 4.578 4.350 -0.001 0.000 0.305 329 T C -0.328 174.466 174.700 0.157 0.000 0.978 329 T CA -0.451 61.844 62.100 0.324 0.000 0.999 329 T CB -1.497 67.548 68.868 0.295 0.000 1.204 329 T HN 0.029 nan 8.240 nan 0.000 0.476 330 C N 2.336 121.761 119.300 0.209 0.000 2.251 330 C HA 0.823 5.283 4.460 -0.001 0.000 0.323 330 C C -0.201 174.880 174.990 0.151 0.000 1.241 330 C CA -0.004 59.108 59.018 0.157 0.000 1.601 330 C CB -0.642 27.323 27.740 0.374 0.000 2.251 330 C HN 0.636 nan 8.230 nan 0.000 0.488 331 S N 4.793 120.449 115.700 -0.073 0.000 2.542 331 S HA 0.939 5.408 4.470 -0.001 0.000 0.293 331 S C -0.900 173.710 174.600 0.016 0.000 1.089 331 S CA -0.393 57.757 58.200 -0.084 0.000 0.961 331 S CB 1.328 64.403 63.200 -0.208 0.000 1.062 331 S HN 0.828 nan 8.310 nan 0.000 0.483 332 F N -0.563 119.492 119.950 0.176 0.000 2.711 332 F HA 0.717 5.244 4.527 -0.001 0.000 0.313 332 F C -1.737 174.205 175.800 0.236 0.000 1.141 332 F CA -1.418 56.657 58.000 0.124 0.000 0.941 332 F CB 1.036 40.051 39.000 0.026 0.000 1.349 332 F HN 0.294 nan 8.300 nan 0.000 0.464 333 L N 1.876 123.289 121.223 0.317 0.000 2.457 333 L HA 0.369 4.708 4.340 -0.001 0.000 0.252 333 L C -2.125 174.817 176.870 0.121 0.000 1.132 333 L CA -1.616 53.304 54.840 0.133 0.000 0.938 333 L CB 1.202 43.204 42.059 -0.096 0.000 1.246 333 L HN 0.371 nan 8.230 nan 0.000 0.476 334 P HA -0.325 nan 4.420 nan 0.000 0.216 334 P C 1.586 178.811 177.300 -0.125 0.000 1.167 334 P CA 2.132 65.362 63.100 0.216 0.000 0.933 334 P CB 0.362 32.270 31.700 0.348 0.000 0.793 335 A N -0.745 121.851 122.820 -0.373 0.000 2.019 335 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 335 A C 1.924 179.107 177.584 -0.668 0.000 1.164 335 A CA 2.103 53.436 52.037 -1.174 0.000 0.644 335 A CB -1.224 17.269 19.000 -0.845 0.000 0.805 335 A HN 0.253 nan 8.150 nan 0.000 0.449 336 M N -3.070 116.388 119.600 -0.238 0.000 2.441 336 M HA 0.242 4.722 4.480 -0.001 0.000 0.244 336 M C 0.092 176.516 176.300 0.206 0.000 1.122 336 M CA 0.369 55.672 55.300 0.006 0.000 1.041 336 M CB -0.377 32.241 32.600 0.029 0.000 1.438 336 M HN 0.225 nan 8.290 nan 0.000 0.484 337 N N 2.247 120.986 118.700 0.065 0.000 2.741 337 N HA -0.171 4.569 4.740 -0.001 0.000 0.250 337 N C -0.563 174.928 175.510 -0.031 0.000 1.115 337 N CA 0.566 53.619 53.050 0.005 0.000 0.724 337 N CB -1.809 36.593 38.487 -0.142 0.000 1.090 337 N HN 0.649 nan 8.380 nan 0.000 0.558 338 N N 0.545 119.213 118.700 -0.052 0.000 2.444 338 N HA 0.374 5.114 4.740 -0.001 0.000 0.271 338 N C -0.623 174.810 175.510 -0.128 0.000 1.069 338 N CA -0.087 52.891 53.050 -0.121 0.000 0.965 338 N CB 0.580 38.893 38.487 -0.291 0.000 1.092 338 N HN 0.095 nan 8.380 nan 0.000 0.476 339 I N 2.722 123.093 120.570 -0.333 0.000 2.646 339 I HA 0.516 4.686 4.170 -0.001 0.000 0.299 339 I C -0.073 175.728 176.117 -0.527 0.000 1.036 339 I CA -0.710 60.323 61.300 -0.446 0.000 1.074 339 I CB 1.908 39.441 38.000 -0.777 0.000 1.258 339 I HN 0.467 nan 8.210 nan 0.000 0.430 340 R N 4.622 124.821 120.500 -0.502 0.000 2.668 340 R HA 0.797 5.136 4.340 -0.001 0.000 0.272 340 R C -1.808 174.053 176.300 -0.732 0.000 1.019 340 R CA -0.804 54.910 56.100 -0.644 0.000 0.894 340 R CB 1.698 31.399 30.300 -0.998 0.000 1.228 340 R HN 0.496 nan 8.270 nan 0.000 0.460 341 I N 1.344 121.548 120.570 -0.611 0.000 2.362 341 I HA 0.324 4.493 4.170 -0.001 0.000 0.289 341 I C -0.771 174.905 176.117 -0.735 0.000 0.994 341 I CA -0.704 60.221 61.300 -0.626 0.000 1.158 341 I CB 1.202 38.894 38.000 -0.514 0.000 1.315 341 I HN 0.478 nan 8.210 nan 0.000 0.451 342 W N 5.205 126.332 121.300 -0.290 0.000 2.416 342 W HA 0.291 4.950 4.660 -0.001 0.000 0.318 342 W C 0.222 176.572 176.519 -0.281 0.000 1.150 342 W CA -0.601 56.608 57.345 -0.227 0.000 1.392 342 W CB 0.032 29.457 29.460 -0.059 0.000 1.311 342 W HN 0.365 nan 8.180 nan 0.000 0.436 343 H N 4.842 123.877 119.070 -0.059 0.000 2.705 343 H HA 0.191 4.747 4.556 -0.001 0.000 0.291 343 H C -1.945 173.250 175.328 -0.221 0.000 1.085 343 H CA -2.421 53.462 56.048 -0.275 0.000 1.357 343 H CB 0.502 29.931 29.762 -0.554 0.000 1.419 343 H HN 0.102 nan 8.280 nan 0.000 0.462 344 P HA 0.166 nan 4.420 nan 0.000 0.275 344 P C 0.216 177.427 177.300 -0.148 0.000 1.228 344 P CA -0.493 62.496 63.100 -0.184 0.000 0.786 344 P CB 1.350 32.721 31.700 -0.549 0.000 0.927 345 R N 1.545 121.972 120.500 -0.122 0.000 2.583 345 R HA 0.473 4.812 4.340 -0.001 0.000 0.329 345 R C 0.449 176.596 176.300 -0.254 0.000 1.166 345 R CA -0.179 55.836 56.100 -0.142 0.000 1.264 345 R CB 0.361 30.601 30.300 -0.099 0.000 1.324 345 R HN 0.941 nan 8.270 nan 0.000 0.684 346 G N 1.616 110.027 108.800 -0.648 0.000 2.603 346 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.686 346 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.686 346 G C -2.269 172.056 174.900 -0.958 0.000 1.286 346 G CA -0.736 43.734 45.100 -1.050 0.000 0.871 346 G HN -0.041 nan 8.290 nan 0.000 0.568 347 P HA 0.014 nan 4.420 nan 0.000 0.226 347 P C 0.773 178.040 177.300 -0.054 0.000 1.153 347 P CA 1.011 64.014 63.100 -0.161 0.000 0.777 347 P CB 0.103 31.797 31.700 -0.010 0.000 0.794 348 N N -0.334 118.319 118.700 -0.079 0.000 2.187 348 N HA 0.101 4.841 4.740 -0.001 0.000 0.212 348 N C 0.120 175.634 175.510 0.007 0.000 1.152 348 N CA 0.197 53.243 53.050 -0.006 0.000 0.872 348 N CB 1.267 39.754 38.487 0.000 0.000 1.025 348 N HN 0.368 nan 8.380 nan 0.000 0.514 349 E N 0.682 120.874 120.200 -0.014 0.000 2.390 349 E HA 0.471 4.821 4.350 -0.001 0.000 0.280 349 E C -1.541 175.076 176.600 0.029 0.000 0.992 349 E CA -0.683 55.728 56.400 0.018 0.000 0.790 349 E CB 1.903 31.604 29.700 0.002 0.000 1.248 349 E HN 0.077 nan 8.360 nan 0.000 0.447 350 I N -1.330 119.282 120.570 0.069 0.000 3.095 350 I HA 0.595 4.765 4.170 -0.001 0.000 0.310 350 I C -0.997 175.182 176.117 0.105 0.000 1.196 350 I CA -0.959 60.394 61.300 0.087 0.000 0.985 350 I CB 2.314 40.389 38.000 0.124 0.000 1.250 350 I HN 0.364 nan 8.210 nan 0.000 0.446 351 E N 2.146 122.408 120.200 0.105 0.000 2.183 351 E HA 0.571 4.921 4.350 -0.001 0.000 0.271 351 E C -1.363 175.314 176.600 0.128 0.000 0.919 351 E CA -1.032 55.460 56.400 0.153 0.000 0.781 351 E CB 3.056 32.906 29.700 0.250 0.000 1.140 351 E HN 0.413 nan 8.360 nan 0.000 0.402 352 V N 3.083 122.970 119.914 -0.044 0.000 2.328 352 V HA 0.203 4.322 4.120 -0.001 0.000 0.278 352 V C -1.033 174.949 176.094 -0.187 0.000 1.021 352 V CA -0.763 61.353 62.300 -0.305 0.000 0.838 352 V CB 0.080 31.390 31.823 -0.856 0.000 0.999 352 V HN 0.602 nan 8.190 nan 0.000 0.447 353 W N 3.809 124.885 121.300 -0.372 0.000 2.294 353 W HA 0.760 5.420 4.660 -0.001 0.000 0.314 353 W C 0.213 176.649 176.519 -0.138 0.000 1.044 353 W CA -0.901 56.343 57.345 -0.168 0.000 1.284 353 W CB 1.448 30.895 29.460 -0.021 0.000 1.231 353 W HN 0.617 nan 8.180 nan 0.000 0.419 354 A N 5.244 128.142 122.820 0.131 0.000 2.350 354 A HA 0.977 5.297 4.320 -0.001 0.000 0.324 354 A C -1.282 176.510 177.584 0.347 0.000 1.118 354 A CA -0.518 51.613 52.037 0.157 0.000 0.783 354 A CB 0.985 20.118 19.000 0.221 0.000 1.236 354 A HN 0.591 nan 8.150 nan 0.000 0.457 355 F N -0.626 119.384 119.950 0.100 0.000 2.711 355 F HA 0.845 5.371 4.527 -0.001 0.000 0.313 355 F C -0.243 175.611 175.800 0.091 0.000 1.141 355 F CA -0.452 57.619 58.000 0.118 0.000 0.941 355 F CB 1.579 40.682 39.000 0.172 0.000 1.349 355 F HN 0.636 nan 8.300 nan 0.000 0.464 356 T N 0.055 114.696 114.554 0.145 0.000 2.893 356 T HA 0.751 5.100 4.350 -0.001 0.000 0.291 356 T C -1.206 173.495 174.700 0.001 0.000 1.028 356 T CA -0.781 61.323 62.100 0.007 0.000 0.995 356 T CB 1.778 70.700 68.868 0.090 0.000 1.051 356 T HN 0.834 nan 8.240 nan 0.000 0.470 357 L N 2.493 123.653 121.223 -0.105 0.000 2.331 357 L HA 0.840 5.180 4.340 -0.001 0.000 0.275 357 L C -0.240 176.464 176.870 -0.275 0.000 1.022 357 L CA -1.316 53.427 54.840 -0.162 0.000 0.812 357 L CB 1.963 43.937 42.059 -0.142 0.000 1.257 357 L HN 0.790 nan 8.230 nan 0.000 0.435 358 V N -2.233 117.527 119.914 -0.257 0.000 3.007 358 V HA 0.483 4.602 4.120 -0.001 0.000 0.311 358 V C -0.868 175.134 176.094 -0.152 0.000 1.120 358 V CA -1.126 60.992 62.300 -0.304 0.000 0.980 358 V CB 2.055 33.729 31.823 -0.249 0.000 1.033 358 V HN 0.531 nan 8.190 nan 0.000 0.429 359 D N 2.185 122.537 120.400 -0.079 0.000 2.450 359 D HA 0.320 4.960 4.640 -0.001 0.000 0.247 359 D C 1.330 177.630 176.300 0.000 0.000 1.162 359 D CA 0.876 54.888 54.000 0.020 0.000 0.879 359 D CB 1.726 42.614 40.800 0.147 0.000 1.163 359 D HN 0.948 nan 8.370 nan 0.000 0.472 360 A N 3.596 126.416 122.820 -0.000 0.000 1.958 360 A HA -0.256 4.064 4.320 -0.001 0.000 0.221 360 A C 1.376 178.963 177.584 0.006 0.000 1.178 360 A CA 2.022 54.055 52.037 -0.007 0.000 0.642 360 A CB -0.239 18.762 19.000 0.002 0.000 0.816 360 A HN 0.647 nan 8.150 nan 0.000 0.453 361 D N -1.114 119.303 120.400 0.028 0.000 2.363 361 D HA 0.472 5.111 4.640 -0.001 0.000 0.214 361 D C 0.531 176.868 176.300 0.062 0.000 1.093 361 D CA 0.265 54.288 54.000 0.038 0.000 0.837 361 D CB -0.499 40.325 40.800 0.039 0.000 0.948 361 D HN 0.432 nan 8.370 nan 0.000 0.507 362 A N 1.270 124.127 122.820 0.062 0.000 2.531 362 A HA 0.358 4.677 4.320 -0.001 0.000 0.236 362 A C -2.059 175.524 177.584 -0.001 0.000 1.062 362 A CA -0.820 51.243 52.037 0.044 0.000 0.760 362 A CB -0.260 18.694 19.000 -0.076 0.000 0.995 362 A HN 0.103 nan 8.150 nan 0.000 0.501 363 P HA 0.132 nan 4.420 nan 0.000 0.266 363 P C 0.948 178.236 177.300 -0.020 0.000 1.193 363 P CA 0.726 63.828 63.100 0.004 0.000 0.770 363 P CB 0.605 32.318 31.700 0.021 0.000 0.836 364 A N 3.275 126.093 122.820 -0.002 0.000 1.903 364 A HA -0.276 4.043 4.320 -0.001 0.000 0.219 364 A C 1.869 179.453 177.584 0.000 0.000 1.191 364 A CA 1.969 54.006 52.037 -0.001 0.000 0.638 364 A CB -1.175 17.828 19.000 0.005 0.000 0.823 364 A HN 0.549 nan 8.150 nan 0.000 0.451 365 E N -0.242 119.959 120.200 0.001 0.000 2.153 365 E HA -0.127 4.222 4.350 -0.001 0.000 0.194 365 E C 1.820 178.419 176.600 -0.001 0.000 0.988 365 E CA 0.860 57.263 56.400 0.005 0.000 0.811 365 E CB -0.237 29.470 29.700 0.012 0.000 0.746 365 E HN 0.572 nan 8.360 nan 0.000 0.466 366 I N 0.964 121.512 120.570 -0.037 0.000 2.133 366 I HA -0.216 3.954 4.170 -0.001 0.000 0.238 366 I C 1.894 178.049 176.117 0.063 0.000 1.074 366 I CA 1.327 62.584 61.300 -0.071 0.000 1.342 366 I CB -0.893 36.904 38.000 -0.338 0.000 1.053 366 I HN 0.107 nan 8.210 nan 0.000 0.404 367 K N 0.286 120.705 120.400 0.031 0.000 2.089 367 K HA -0.275 4.044 4.320 -0.001 0.000 0.210 367 K C 2.014 178.676 176.600 0.104 0.000 1.048 367 K CA 1.894 58.219 56.287 0.065 0.000 0.926 367 K CB -0.155 32.347 32.500 0.004 0.000 0.714 367 K HN 0.171 nan 8.250 nan 0.000 0.448 368 E N 1.245 121.483 120.200 0.062 0.000 2.047 368 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 368 E C 1.797 178.435 176.600 0.065 0.000 0.987 368 E CA 1.410 57.841 56.400 0.051 0.000 0.799 368 E CB 0.016 29.730 29.700 0.024 0.000 0.752 368 E HN 0.138 nan 8.360 nan 0.000 0.449 369 E N -0.359 119.883 120.200 0.071 0.000 2.077 369 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 369 E C 2.091 178.776 176.600 0.142 0.000 0.989 369 E CA 0.998 57.460 56.400 0.104 0.000 0.800 369 E CB -0.557 29.183 29.700 0.067 0.000 0.746 369 E HN 0.485 nan 8.360 nan 0.000 0.452 370 Y N 0.801 121.145 120.300 0.073 0.000 2.274 370 Y HA -0.188 4.362 4.550 -0.001 0.000 0.290 370 Y C 2.734 178.680 175.900 0.078 0.000 1.145 370 Y CA 1.563 59.703 58.100 0.067 0.000 1.203 370 Y CB 0.018 38.488 38.460 0.017 0.000 0.984 370 Y HN -0.017 nan 8.280 nan 0.000 0.533 371 R N 0.349 120.970 120.500 0.202 0.000 2.061 371 R HA -0.137 4.203 4.340 -0.001 0.000 0.230 371 R C 2.331 178.678 176.300 0.078 0.000 1.140 371 R CA 1.471 57.647 56.100 0.126 0.000 0.940 371 R CB -0.133 30.215 30.300 0.078 0.000 0.839 371 R HN 0.239 nan 8.270 nan 0.000 0.429 372 R N -0.951 119.556 120.500 0.013 0.000 2.091 372 R HA -0.162 4.178 4.340 -0.001 0.000 0.238 372 R C 2.229 178.445 176.300 -0.140 0.000 1.136 372 R CA 2.022 58.063 56.100 -0.098 0.000 0.959 372 R CB -0.506 29.673 30.300 -0.202 0.000 0.856 372 R HN 0.483 nan 8.270 nan 0.000 0.437 373 H N -0.107 118.949 119.070 -0.024 0.000 2.395 373 H HA 0.046 4.601 4.556 -0.001 0.000 0.299 373 H C 1.939 177.240 175.328 -0.046 0.000 1.070 373 H CA 1.046 57.053 56.048 -0.068 0.000 1.356 373 H CB 0.039 29.738 29.762 -0.106 0.000 1.401 373 H HN 0.223 nan 8.280 nan 0.000 0.524 374 N N 0.451 119.270 118.700 0.198 0.000 2.120 374 N HA -0.139 4.601 4.740 -0.001 0.000 0.188 374 N C 1.754 177.369 175.510 0.175 0.000 1.024 374 N CA 1.298 54.526 53.050 0.297 0.000 0.852 374 N CB 0.020 38.693 38.487 0.311 0.000 1.003 374 N HN 0.323 nan 8.380 nan 0.000 0.424 375 I N 1.013 121.634 120.570 0.086 0.000 2.163 375 I HA -0.252 3.918 4.170 -0.001 0.000 0.243 375 I C 2.679 178.771 176.117 -0.042 0.000 1.085 375 I CA 1.017 62.334 61.300 0.027 0.000 1.347 375 I CB -0.241 37.760 38.000 0.001 0.000 1.044 375 I HN 0.076 nan 8.210 nan 0.000 0.408 376 R N 0.797 121.247 120.500 -0.084 0.000 2.096 376 R HA -0.130 4.210 4.340 -0.001 0.000 0.235 376 R C 1.811 178.009 176.300 -0.169 0.000 1.127 376 R CA 1.585 57.613 56.100 -0.119 0.000 0.968 376 R CB -0.006 30.218 30.300 -0.128 0.000 0.861 376 R HN 0.475 nan 8.270 nan 0.000 0.440 377 N N -1.549 116.942 118.700 -0.348 0.000 2.463 377 N HA 0.008 4.747 4.740 -0.001 0.000 0.183 377 N C 0.479 175.641 175.510 -0.581 0.000 1.064 377 N CA 0.645 53.294 53.050 -0.669 0.000 0.879 377 N CB 0.483 38.049 38.487 -1.535 0.000 1.148 377 N HN 0.124 nan 8.380 nan 0.000 0.451 378 F N 0.796 120.789 119.950 0.072 0.000 2.767 378 F HA 0.255 4.781 4.527 -0.001 0.000 0.323 378 F C 1.559 177.448 175.800 0.150 0.000 1.091 378 F CA -0.754 57.336 58.000 0.150 0.000 1.192 378 F CB -0.309 38.793 39.000 0.170 0.000 1.056 378 F HN -0.197 nan 8.300 nan 0.000 0.571 379 S N 0.854 116.622 115.700 0.113 0.000 2.625 379 S HA 0.428 4.897 4.470 -0.001 0.000 0.258 379 S C 1.772 175.981 174.600 -0.651 0.000 1.256 379 S CA 0.048 58.154 58.200 -0.158 0.000 0.983 379 S CB 0.799 63.936 63.200 -0.104 0.000 1.032 379 S HN 0.161 nan 8.310 nan 0.000 0.572 380 A N -0.196 121.926 122.820 -1.163 0.000 2.121 380 A HA 0.236 4.556 4.320 -0.001 0.000 0.218 380 A C 1.879 179.154 177.584 -0.515 0.000 1.154 380 A CA 1.201 52.472 52.037 -1.277 0.000 0.679 380 A CB -1.399 16.884 19.000 -1.195 0.000 0.795 380 A HN 1.142 nan 8.150 nan 0.000 0.458 381 G N -0.772 107.831 108.800 -0.328 0.000 3.126 381 G HA2 0.400 4.360 3.960 -0.001 0.000 0.224 381 G HA3 0.400 4.360 3.960 -0.001 0.000 0.224 381 G C 0.746 175.572 174.900 -0.123 0.000 1.142 381 G CA 0.462 45.454 45.100 -0.179 0.000 0.759 381 G HN 0.686 nan 8.290 nan 0.000 0.550 382 G N 0.220 108.947 108.800 -0.121 0.000 2.554 382 G HA2 0.312 4.271 3.960 -0.001 0.000 0.238 382 G HA3 0.312 4.271 3.960 -0.001 0.000 0.238 382 G C 1.298 176.184 174.900 -0.024 0.000 1.259 382 G CA 0.307 45.363 45.100 -0.073 0.000 0.843 382 G HN 0.565 nan 8.290 nan 0.000 0.582 383 V N -0.461 119.446 119.914 -0.010 0.000 2.970 383 V HA 0.030 4.149 4.120 -0.001 0.000 0.260 383 V C 1.891 178.015 176.094 0.051 0.000 1.100 383 V CA 1.155 63.467 62.300 0.020 0.000 1.122 383 V CB -0.909 30.924 31.823 0.016 0.000 0.721 383 V HN 0.495 nan 8.190 nan 0.000 0.483 384 F N 1.099 120.958 119.950 -0.153 0.000 2.243 384 F HA 0.218 4.745 4.527 -0.001 0.000 0.287 384 F C 2.464 178.331 175.800 0.112 0.000 1.067 384 F CA 1.401 59.332 58.000 -0.115 0.000 1.304 384 F CB -0.632 38.178 39.000 -0.317 0.000 1.087 384 F HN 0.191 nan 8.300 nan 0.000 0.513 385 E N 0.686 121.072 120.200 0.311 0.000 2.097 385 E HA -0.250 4.100 4.350 -0.001 0.000 0.196 385 E C 2.017 178.693 176.600 0.126 0.000 1.000 385 E CA 1.743 58.313 56.400 0.285 0.000 0.804 385 E CB -0.363 29.495 29.700 0.265 0.000 0.740 385 E HN 0.436 nan 8.360 nan 0.000 0.454 386 Q N -0.205 119.623 119.800 0.046 0.000 2.096 386 Q HA -0.217 4.123 4.340 -0.001 0.000 0.208 386 Q C 1.696 177.677 176.000 -0.032 0.000 0.993 386 Q CA 1.797 57.594 55.803 -0.011 0.000 0.862 386 Q CB -0.178 28.540 28.738 -0.033 0.000 0.915 386 Q HN 0.404 nan 8.270 nan 0.000 0.416 387 D N 0.093 120.483 120.400 -0.016 0.000 2.162 387 D HA -0.094 4.546 4.640 -0.001 0.000 0.203 387 D C 1.415 177.585 176.300 -0.216 0.000 0.967 387 D CA 0.662 54.602 54.000 -0.100 0.000 0.840 387 D CB -0.259 40.472 40.800 -0.116 0.000 0.972 387 D HN 0.168 nan 8.370 nan 0.000 0.482 388 D N 0.681 120.977 120.400 -0.174 0.000 2.103 388 D HA -0.140 4.500 4.640 -0.001 0.000 0.190 388 D C 2.083 177.700 176.300 -1.138 0.000 0.997 388 D CA 1.574 55.216 54.000 -0.598 0.000 0.833 388 D CB -0.464 40.099 40.800 -0.396 0.000 0.961 388 D HN 0.284 nan 8.370 nan 0.000 0.447 389 G N 0.256 108.681 108.800 -0.626 0.000 2.534 389 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.217 389 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.217 389 G C 1.532 176.360 174.900 -0.120 0.000 1.128 389 G CA 0.461 45.398 45.100 -0.271 0.000 0.784 389 G HN 0.192 nan 8.290 nan 0.000 0.542 390 E N 1.283 121.376 120.200 -0.178 0.000 2.107 390 E HA -0.048 4.302 4.350 -0.001 0.000 0.191 390 E C 2.139 178.659 176.600 -0.134 0.000 0.982 390 E CA 1.345 57.676 56.400 -0.115 0.000 0.809 390 E CB -0.370 29.262 29.700 -0.114 0.000 0.756 390 E HN 0.571 nan 8.360 nan 0.000 0.459 391 N N -0.720 117.842 118.700 -0.230 0.000 2.080 391 N HA -0.125 4.614 4.740 -0.001 0.000 0.189 391 N C 1.331 176.774 175.510 -0.113 0.000 1.036 391 N CA 1.205 54.137 53.050 -0.197 0.000 0.846 391 N CB -0.271 38.066 38.487 -0.251 0.000 1.015 391 N HN 0.215 nan 8.380 nan 0.000 0.423 392 W N 1.276 122.448 121.300 -0.214 0.000 2.321 392 W HA -0.082 4.578 4.660 -0.001 0.000 0.306 392 W C 2.124 178.505 176.519 -0.230 0.000 1.217 392 W CA 0.295 57.462 57.345 -0.296 0.000 1.257 392 W CB -1.327 28.038 29.460 -0.158 0.000 1.145 392 W HN -0.089 nan 8.180 nan 0.000 0.509 393 V N 0.666 120.639 119.914 0.099 0.000 2.332 393 V HA -0.275 3.845 4.120 -0.001 0.000 0.248 393 V C 2.404 178.488 176.094 -0.017 0.000 1.055 393 V CA 2.170 64.498 62.300 0.048 0.000 1.038 393 V CB -0.589 31.262 31.823 0.048 0.000 0.651 393 V HN 0.061 nan 8.190 nan 0.000 0.450 394 E N -0.471 119.697 120.200 -0.055 0.000 2.122 394 E HA -0.016 4.333 4.350 -0.001 0.000 0.190 394 E C 2.149 178.682 176.600 -0.111 0.000 0.977 394 E CA 0.792 57.149 56.400 -0.072 0.000 0.820 394 E CB -0.144 29.510 29.700 -0.075 0.000 0.770 394 E HN 0.578 nan 8.360 nan 0.000 0.462 395 I N 1.148 121.603 120.570 -0.192 0.000 2.076 395 I HA -0.351 3.819 4.170 -0.001 0.000 0.237 395 I C 2.712 178.706 176.117 -0.205 0.000 1.059 395 I CA 1.422 62.547 61.300 -0.292 0.000 1.317 395 I CB -0.404 37.208 38.000 -0.645 0.000 1.037 395 I HN 0.077 nan 8.210 nan 0.000 0.398 396 Q N 1.383 121.071 119.800 -0.187 0.000 2.133 396 Q HA -0.292 4.047 4.340 -0.001 0.000 0.208 396 Q C 2.024 178.022 176.000 -0.003 0.000 0.991 396 Q CA 2.255 58.039 55.803 -0.032 0.000 0.867 396 Q CB -0.264 28.486 28.738 0.019 0.000 0.911 396 Q HN 0.308 nan 8.270 nan 0.000 0.417 397 K N -0.847 119.543 120.400 -0.017 0.000 2.057 397 K HA -0.062 4.257 4.320 -0.001 0.000 0.207 397 K C 1.890 178.488 176.600 -0.002 0.000 1.049 397 K CA 1.851 58.136 56.287 -0.002 0.000 0.931 397 K CB -1.010 31.487 32.500 -0.006 0.000 0.714 397 K HN 0.284 nan 8.250 nan 0.000 0.440 398 G N 0.880 109.668 108.800 -0.021 0.000 2.422 398 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.218 398 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.218 398 G C 1.362 176.264 174.900 0.004 0.000 1.146 398 G CA 0.916 46.006 45.100 -0.016 0.000 0.769 398 G HN 0.321 nan 8.290 nan 0.000 0.547 399 L N -0.014 121.217 121.223 0.012 0.000 2.642 399 L HA 0.027 4.367 4.340 -0.001 0.000 0.236 399 L C 2.869 179.771 176.870 0.055 0.000 1.169 399 L CA 0.189 55.055 54.840 0.043 0.000 0.851 399 L CB -0.195 41.914 42.059 0.082 0.000 0.968 399 L HN 0.189 nan 8.230 nan 0.000 0.453 400 R N 0.119 120.647 120.500 0.047 0.000 2.148 400 R HA 0.000 4.340 4.340 -0.001 0.000 0.223 400 R C 1.236 177.577 176.300 0.069 0.000 1.088 400 R CA 0.576 56.710 56.100 0.057 0.000 0.985 400 R CB -0.237 30.091 30.300 0.045 0.000 0.880 400 R HN 0.331 nan 8.270 nan 0.000 0.451 401 G N -0.750 108.087 108.800 0.061 0.000 2.432 401 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.257 401 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.257 401 G C 0.023 174.987 174.900 0.106 0.000 1.238 401 G CA -0.452 44.697 45.100 0.082 0.000 0.838 401 G HN 0.202 nan 8.290 nan 0.000 0.547 402 Y N 1.613 121.929 120.300 0.027 0.000 2.181 402 Y HA -0.126 4.424 4.550 -0.001 0.000 0.288 402 Y C 2.406 178.322 175.900 0.027 0.000 1.146 402 Y CA 1.963 60.081 58.100 0.029 0.000 1.164 402 Y CB 0.265 38.740 38.460 0.025 0.000 0.982 402 Y HN 0.370 nan 8.280 nan 0.000 0.515 403 K N 0.303 120.662 120.400 -0.069 0.000 2.228 403 K HA 0.079 4.399 4.320 -0.001 0.000 0.202 403 K C 2.208 178.735 176.600 -0.122 0.000 1.051 403 K CA 0.919 57.112 56.287 -0.157 0.000 0.960 403 K CB -0.648 31.855 32.500 0.005 0.000 0.743 403 K HN 0.433 nan 8.250 nan 0.000 0.458 404 A N 1.380 124.165 122.820 -0.058 0.000 2.121 404 A HA -0.097 4.222 4.320 -0.001 0.000 0.218 404 A C 1.617 179.175 177.584 -0.043 0.000 1.154 404 A CA 1.190 53.205 52.037 -0.036 0.000 0.679 404 A CB -0.084 18.912 19.000 -0.007 0.000 0.795 404 A HN 0.184 nan 8.150 nan 0.000 0.458 405 K N -0.100 120.252 120.400 -0.079 0.000 2.373 405 K HA 0.062 4.381 4.320 -0.001 0.000 0.202 405 K C 1.507 178.032 176.600 -0.124 0.000 1.025 405 K CA 0.679 56.926 56.287 -0.066 0.000 1.115 405 K CB 0.336 32.823 32.500 -0.023 0.000 0.858 405 K HN 0.560 nan 8.250 nan 0.000 0.525 406 S N -0.117 115.466 115.700 -0.194 0.000 2.478 406 S HA 0.035 4.504 4.470 -0.001 0.000 0.222 406 S C 0.690 175.222 174.600 -0.114 0.000 1.008 406 S CA 0.011 58.075 58.200 -0.226 0.000 0.928 406 S CB 0.199 63.193 63.200 -0.345 0.000 0.781 406 S HN 0.162 nan 8.310 nan 0.000 0.518 407 Q N 1.504 121.256 119.800 -0.079 0.000 2.397 407 Q HA 0.527 4.867 4.340 -0.001 0.000 0.275 407 Q C -2.935 173.043 176.000 -0.037 0.000 1.090 407 Q CA -2.675 53.099 55.803 -0.049 0.000 0.809 407 Q CB 2.322 31.036 28.738 -0.041 0.000 1.362 407 Q HN 0.212 nan 8.270 nan 0.000 0.431 408 P HA 0.068 nan 4.420 nan 0.000 0.271 408 P C -0.697 176.585 177.300 -0.029 0.000 1.216 408 P CA 0.027 63.106 63.100 -0.035 0.000 0.776 408 P CB 0.764 32.443 31.700 -0.034 0.000 0.881 409 L N 2.240 123.445 121.223 -0.031 0.000 2.453 409 L HA 0.194 4.534 4.340 -0.001 0.000 0.261 409 L C 1.156 178.013 176.870 -0.022 0.000 1.179 409 L CA -0.343 54.487 54.840 -0.017 0.000 0.813 409 L CB -0.045 42.016 42.059 0.003 0.000 1.110 409 L HN 0.422 nan 8.230 nan 0.000 0.466 410 N N 0.864 119.562 118.700 -0.003 0.000 2.437 410 N HA 0.346 5.086 4.740 -0.001 0.000 0.243 410 N C -0.241 175.274 175.510 0.009 0.000 1.041 410 N CA -0.110 52.941 53.050 0.000 0.000 0.940 410 N CB 0.931 39.424 38.487 0.009 0.000 1.133 410 N HN 0.663 nan 8.380 nan 0.000 0.506 411 A N 3.421 126.239 122.820 -0.003 0.000 2.911 411 A HA 0.155 4.475 4.320 -0.001 0.000 0.304 411 A C 0.742 178.326 177.584 0.000 0.000 1.144 411 A CA -0.368 51.676 52.037 0.012 0.000 0.988 411 A CB 0.064 19.077 19.000 0.022 0.000 1.141 411 A HN 0.793 nan 8.150 nan 0.000 0.552 412 Q N -0.544 119.250 119.800 -0.009 0.000 2.403 412 Q HA 0.184 4.524 4.340 -0.001 0.000 0.203 412 Q C 0.540 176.525 176.000 -0.025 0.000 0.932 412 Q CA 0.057 55.850 55.803 -0.016 0.000 0.945 412 Q CB 0.072 28.802 28.738 -0.013 0.000 1.045 412 Q HN 0.762 nan 8.270 nan 0.000 0.511 413 M N 0.338 119.914 119.600 -0.039 0.000 2.246 413 M HA 0.074 4.553 4.480 -0.001 0.000 0.350 413 M C 0.649 176.921 176.300 -0.046 0.000 1.406 413 M CA 1.094 56.354 55.300 -0.067 0.000 1.089 413 M CB 0.347 32.864 32.600 -0.140 0.000 1.782 413 M HN 0.444 nan 8.290 nan 0.000 0.457 414 G N 3.921 112.706 108.800 -0.026 0.000 2.153 414 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.252 414 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.252 414 G C -0.328 174.566 174.900 -0.011 0.000 0.994 414 G CA -0.015 45.083 45.100 -0.004 0.000 0.698 414 G HN 0.643 nan 8.290 nan 0.000 0.521 415 L N 0.721 121.935 121.223 -0.016 0.000 2.477 415 L HA 0.512 4.852 4.340 -0.001 0.000 0.272 415 L C 1.642 178.505 176.870 -0.012 0.000 1.157 415 L CA 1.694 56.523 54.840 -0.018 0.000 0.889 415 L CB 0.334 42.382 42.059 -0.018 0.000 1.158 415 L HN 1.461 nan 8.230 nan 0.000 0.473 416 G N 4.164 112.956 108.800 -0.014 0.000 2.179 416 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.260 416 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.260 416 G C 1.189 176.092 174.900 0.004 0.000 0.977 416 G CA 0.676 45.772 45.100 -0.007 0.000 0.641 416 G HN 0.633 nan 8.290 nan 0.000 0.533 417 R N 0.173 120.678 120.500 0.008 0.000 2.334 417 R HA 0.355 4.695 4.340 -0.001 0.000 0.216 417 R C 0.648 176.969 176.300 0.036 0.000 0.905 417 R CA 0.501 56.615 56.100 0.023 0.000 1.064 417 R CB 0.487 30.804 30.300 0.028 0.000 1.046 417 R HN 0.286 nan 8.270 nan 0.000 0.508 418 S N 1.479 117.193 115.700 0.024 0.000 2.541 418 S HA 0.256 4.725 4.470 -0.001 0.000 0.283 418 S C -0.519 174.111 174.600 0.050 0.000 1.196 418 S CA -0.717 57.502 58.200 0.032 0.000 1.062 418 S CB 1.311 64.508 63.200 -0.005 0.000 1.009 418 S HN 0.182 nan 8.310 nan 0.000 0.502 419 Q N 0.096 119.949 119.800 0.089 0.000 2.379 419 Q HA 0.443 4.783 4.340 -0.001 0.000 0.278 419 Q C -0.120 175.970 176.000 0.150 0.000 1.068 419 Q CA -0.927 54.940 55.803 0.105 0.000 0.816 419 Q CB 0.944 29.746 28.738 0.106 0.000 1.387 419 Q HN 0.574 nan 8.270 nan 0.000 0.413 420 T N -2.504 112.132 114.554 0.137 0.000 3.113 420 T HA 0.155 4.505 4.350 -0.001 0.000 0.256 420 T C 0.989 175.795 174.700 0.178 0.000 1.131 420 T CA 0.550 62.751 62.100 0.168 0.000 1.074 420 T CB -0.141 68.808 68.868 0.136 0.000 0.944 420 T HN 0.711 nan 8.240 nan 0.000 0.516 421 G N 0.924 109.819 108.800 0.158 0.000 3.939 421 G HA2 0.332 4.291 3.960 -0.001 0.000 0.268 421 G HA3 0.332 4.291 3.960 -0.001 0.000 0.268 421 G C -0.703 174.296 174.900 0.165 0.000 1.172 421 G CA -0.577 44.603 45.100 0.135 0.000 1.614 421 G HN 0.634 nan 8.290 nan 0.000 0.639 422 H N 1.407 120.559 119.070 0.138 0.000 2.488 422 H HA 0.389 4.945 4.556 -0.001 0.000 0.322 422 H C -0.943 174.443 175.328 0.097 0.000 1.078 422 H CA -1.580 54.560 56.048 0.154 0.000 1.260 422 H CB 2.426 32.347 29.762 0.266 0.000 1.425 422 H HN 0.083 nan 8.280 nan 0.000 0.471 423 P HA -0.138 nan 4.420 nan 0.000 0.217 423 P C 0.320 177.558 177.300 -0.104 0.000 1.150 423 P CA 1.166 64.174 63.100 -0.152 0.000 0.832 423 P CB 0.674 32.240 31.700 -0.223 0.000 0.787 424 D N -1.303 119.044 120.400 -0.089 0.000 2.262 424 D HA 0.103 4.742 4.640 -0.001 0.000 0.212 424 D C 0.383 176.409 176.300 -0.458 0.000 0.964 424 D CA 0.624 54.390 54.000 -0.389 0.000 0.875 424 D CB 0.081 40.405 40.800 -0.792 0.000 0.996 424 D HN 0.223 nan 8.370 nan 0.000 0.497 425 F N 1.448 121.626 119.950 0.381 0.000 2.520 425 F HA 0.378 4.905 4.527 -0.001 0.000 0.322 425 F C -2.057 173.888 175.800 0.241 0.000 1.103 425 F CA -2.376 55.755 58.000 0.219 0.000 0.926 425 F CB 2.024 41.215 39.000 0.319 0.000 1.154 425 F HN -0.284 nan 8.300 nan 0.000 0.453 426 P HA 0.443 nan 4.420 nan 0.000 0.276 426 P C 0.147 177.707 177.300 0.433 0.000 1.244 426 P CA 0.100 63.353 63.100 0.256 0.000 0.801 426 P CB 1.418 33.162 31.700 0.074 0.000 1.006 427 G N 1.514 110.554 108.800 0.401 0.000 2.728 427 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.294 427 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.294 427 G C -0.362 174.783 174.900 0.408 0.000 1.342 427 G CA -0.642 44.769 45.100 0.519 0.000 0.866 427 G HN 0.736 nan 8.290 nan 0.000 0.534 428 N N 0.115 118.980 118.700 0.275 0.000 2.454 428 N HA 0.324 5.064 4.740 -0.001 0.000 0.285 428 N C 0.206 175.787 175.510 0.119 0.000 1.233 428 N CA 0.292 53.414 53.050 0.120 0.000 1.036 428 N CB 0.048 38.523 38.487 -0.021 0.000 1.423 428 N HN 0.674 nan 8.380 nan 0.000 0.495 429 V N 1.593 121.618 119.914 0.185 0.000 2.532 429 V HA 0.794 4.913 4.120 -0.001 0.000 0.295 429 V C 1.062 177.193 176.094 0.061 0.000 1.041 429 V CA -0.463 61.923 62.300 0.144 0.000 0.926 429 V CB 1.416 33.375 31.823 0.226 0.000 0.992 429 V HN 0.640 nan 8.190 nan 0.000 0.457 430 G N 1.811 110.592 108.800 -0.032 0.000 3.166 430 G HA2 0.468 4.428 3.960 -0.001 0.000 0.267 430 G HA3 0.468 4.428 3.960 -0.001 0.000 0.267 430 G C -1.717 173.175 174.900 -0.012 0.000 1.256 430 G CA -0.542 44.558 45.100 -0.000 0.000 0.859 430 G HN 0.422 nan 8.290 nan 0.000 0.590 431 Y N -0.128 120.104 120.300 -0.113 0.000 2.307 431 Y HA 0.402 4.952 4.550 -0.001 0.000 0.324 431 Y C 1.532 177.290 175.900 -0.237 0.000 1.238 431 Y CA -0.319 57.705 58.100 -0.127 0.000 1.280 431 Y CB 1.757 40.199 38.460 -0.030 0.000 1.248 431 Y HN 0.266 nan 8.280 nan 0.000 0.508 432 V N 5.537 124.872 119.914 -0.964 0.000 2.392 432 V HA -0.271 3.848 4.120 -0.001 0.000 0.249 432 V C 0.058 175.612 176.094 -0.901 0.000 1.059 432 V CA 1.795 63.486 62.300 -1.014 0.000 1.051 432 V CB -0.682 30.510 31.823 -1.051 0.000 0.658 432 V HN 0.714 nan 8.190 nan 0.000 0.455 433 Y N 0.848 120.679 120.300 -0.780 0.000 2.817 433 Y HA 0.702 5.252 4.550 -0.001 0.000 0.339 433 Y C 0.319 176.061 175.900 -0.264 0.000 1.281 433 Y CA 0.082 57.959 58.100 -0.371 0.000 1.564 433 Y CB -0.271 38.073 38.460 -0.194 0.000 1.628 433 Y HN 0.274 nan 8.280 nan 0.000 0.489 434 A N 0.476 123.218 122.820 -0.130 0.000 2.483 434 A HA 0.786 5.105 4.320 -0.001 0.000 0.286 434 A C 0.052 177.583 177.584 -0.090 0.000 1.207 434 A CA -0.828 51.156 52.037 -0.089 0.000 0.764 434 A CB 1.408 20.374 19.000 -0.056 0.000 1.341 434 A HN 0.488 nan 8.150 nan 0.000 0.428 435 E N -0.753 119.408 120.200 -0.065 0.000 2.876 435 E HA 0.075 4.424 4.350 -0.001 0.000 0.208 435 E C 0.238 176.816 176.600 -0.036 0.000 0.981 435 E CA -0.116 56.265 56.400 -0.033 0.000 1.174 435 E CB 0.900 30.596 29.700 -0.007 0.000 1.047 435 E HN 0.654 nan 8.360 nan 0.000 0.477 436 E N 1.565 121.725 120.200 -0.066 0.000 2.051 436 E HA -0.156 4.194 4.350 -0.001 0.000 0.192 436 E C 1.896 178.427 176.600 -0.114 0.000 0.991 436 E CA 1.757 58.105 56.400 -0.086 0.000 0.799 436 E CB -0.047 29.593 29.700 -0.099 0.000 0.748 436 E HN 0.297 nan 8.360 nan 0.000 0.449 437 A N 0.606 123.347 122.820 -0.132 0.000 1.933 437 A HA -0.042 4.277 4.320 -0.001 0.000 0.218 437 A C 2.406 179.917 177.584 -0.121 0.000 1.175 437 A CA 2.079 54.021 52.037 -0.157 0.000 0.628 437 A CB -0.930 17.986 19.000 -0.141 0.000 0.814 437 A HN 0.371 nan 8.150 nan 0.000 0.444 438 A N -0.176 122.605 122.820 -0.064 0.000 1.877 438 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 438 A C 2.245 179.842 177.584 0.022 0.000 1.186 438 A CA 1.495 53.508 52.037 -0.041 0.000 0.620 438 A CB -0.487 18.562 19.000 0.082 0.000 0.822 438 A HN 0.525 nan 8.150 nan 0.000 0.443 439 R N -0.948 119.582 120.500 0.050 0.000 2.105 439 R HA -0.121 4.219 4.340 -0.001 0.000 0.239 439 R C 2.320 178.636 176.300 0.025 0.000 1.135 439 R CA 1.145 57.287 56.100 0.069 0.000 0.967 439 R CB -0.572 29.732 30.300 0.007 0.000 0.861 439 R HN 0.552 nan 8.270 nan 0.000 0.442 440 G N 0.535 109.292 108.800 -0.071 0.000 2.422 440 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.218 440 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.218 440 G C 1.371 176.164 174.900 -0.178 0.000 1.140 440 G CA 0.280 45.308 45.100 -0.121 0.000 0.775 440 G HN 0.180 nan 8.290 nan 0.000 0.545 441 M N -0.815 118.648 119.600 -0.229 0.000 2.099 441 M HA 0.031 4.511 4.480 -0.001 0.000 0.262 441 M C 2.350 178.486 176.300 -0.273 0.000 1.067 441 M CA 1.289 56.387 55.300 -0.337 0.000 1.124 441 M CB -0.071 32.325 32.600 -0.339 0.000 1.353 441 M HN 0.376 nan 8.290 nan 0.000 0.410 442 Y N -1.461 118.800 120.300 -0.066 0.000 2.314 442 Y HA -0.261 4.288 4.550 -0.001 0.000 0.293 442 Y C 2.444 178.380 175.900 0.060 0.000 1.129 442 Y CA 1.508 59.576 58.100 -0.052 0.000 1.201 442 Y CB -0.521 37.852 38.460 -0.146 0.000 0.999 442 Y HN 0.444 nan 8.280 nan 0.000 0.541 443 H N -0.881 118.226 119.070 0.061 0.000 2.293 443 H HA -0.218 4.338 4.556 -0.001 0.000 0.300 443 H C 2.236 177.501 175.328 -0.105 0.000 1.082 443 H CA 2.413 58.453 56.048 -0.014 0.000 1.308 443 H CB -0.412 29.315 29.762 -0.060 0.000 1.375 443 H HN 0.356 nan 8.280 nan 0.000 0.495 444 H N -1.115 117.737 119.070 -0.364 0.000 2.319 444 H HA -0.184 4.372 4.556 -0.001 0.000 0.299 444 H C 2.153 177.161 175.328 -0.532 0.000 1.092 444 H CA 2.158 57.833 56.048 -0.621 0.000 1.302 444 H CB -0.716 28.499 29.762 -0.911 0.000 1.373 444 H HN 0.572 nan 8.280 nan 0.000 0.497 445 W N 0.940 121.911 121.300 -0.548 0.000 2.290 445 W HA -0.398 4.262 4.660 -0.001 0.000 0.328 445 W C 2.546 178.919 176.519 -0.245 0.000 1.272 445 W CA 2.680 59.917 57.345 -0.180 0.000 1.262 445 W CB -0.620 28.884 29.460 0.073 0.000 1.151 445 W HN 0.306 nan 8.180 nan 0.000 0.473 446 M N 1.161 120.727 119.600 -0.057 0.000 2.089 446 M HA -0.283 4.197 4.480 -0.001 0.000 0.257 446 M C 2.012 178.013 176.300 -0.499 0.000 1.071 446 M CA 2.263 57.384 55.300 -0.299 0.000 1.096 446 M CB -0.960 31.609 32.600 -0.051 0.000 1.330 446 M HN 0.202 nan 8.290 nan 0.000 0.403 447 R N -0.371 119.788 120.500 -0.569 0.000 2.080 447 R HA -0.158 4.181 4.340 -0.001 0.000 0.236 447 R C 2.306 178.280 176.300 -0.543 0.000 1.137 447 R CA 2.052 57.820 56.100 -0.553 0.000 0.943 447 R CB -0.495 29.422 30.300 -0.638 0.000 0.846 447 R HN 0.497 nan 8.270 nan 0.000 0.431 448 M N -0.157 119.049 119.600 -0.657 0.000 2.213 448 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 448 M C 2.125 178.130 176.300 -0.491 0.000 1.062 448 M CA 1.368 56.341 55.300 -0.545 0.000 1.105 448 M CB -0.115 32.234 32.600 -0.419 0.000 1.385 448 M HN 0.135 nan 8.290 nan 0.000 0.417 449 M N -0.625 118.609 119.600 -0.610 0.000 2.394 449 M HA -0.047 4.432 4.480 -0.001 0.000 0.264 449 M C 2.047 178.114 176.300 -0.387 0.000 1.073 449 M CA 1.339 56.293 55.300 -0.577 0.000 1.111 449 M CB -0.825 31.221 32.600 -0.924 0.000 1.401 449 M HN 0.334 nan 8.290 nan 0.000 0.448 450 S N -1.411 114.077 115.700 -0.353 0.000 2.520 450 S HA 0.178 4.648 4.470 -0.001 0.000 0.219 450 S C 0.325 174.803 174.600 -0.203 0.000 1.028 450 S CA -0.475 57.585 58.200 -0.234 0.000 0.921 450 S CB 0.327 63.405 63.200 -0.202 0.000 0.844 450 S HN 0.419 nan 8.310 nan 0.000 0.495 451 E N 2.841 122.888 120.200 -0.255 0.000 2.183 451 E HA 0.297 4.646 4.350 -0.001 0.000 0.250 451 E C -2.319 174.115 176.600 -0.277 0.000 0.901 451 E CA -2.118 54.147 56.400 -0.226 0.000 0.741 451 E CB 1.762 31.332 29.700 -0.216 0.000 1.182 451 E HN 0.222 nan 8.360 nan 0.000 0.425 452 P HA -0.041 nan 4.420 nan 0.000 0.249 452 P C 0.080 177.255 177.300 -0.209 0.000 1.229 452 P CA 0.340 63.315 63.100 -0.208 0.000 0.788 452 P CB 0.534 32.157 31.700 -0.128 0.000 1.072 453 S N -0.929 114.656 115.700 -0.192 0.000 2.519 453 S HA 0.296 4.766 4.470 -0.001 0.000 0.309 453 S C 0.274 174.816 174.600 -0.098 0.000 1.100 453 S CA -0.715 57.423 58.200 -0.103 0.000 1.059 453 S CB 0.351 63.536 63.200 -0.025 0.000 1.008 453 S HN -0.008 nan 8.310 nan 0.000 0.478 454 W N 3.551 124.877 121.300 0.045 0.000 2.468 454 W HA -0.035 4.624 4.660 -0.001 0.000 0.262 454 W C 2.371 178.919 176.519 0.049 0.000 1.241 454 W CA 0.659 58.044 57.345 0.067 0.000 1.232 454 W CB -0.082 29.421 29.460 0.071 0.000 1.124 454 W HN 0.923 nan 8.180 nan 0.000 0.597 455 A N 0.163 123.120 122.820 0.227 0.000 1.908 455 A HA -0.293 4.026 4.320 -0.001 0.000 0.218 455 A C 2.006 179.660 177.584 0.116 0.000 1.181 455 A CA 2.763 54.884 52.037 0.141 0.000 0.627 455 A CB -1.370 17.683 19.000 0.088 0.000 0.818 455 A HN 0.336 nan 8.150 nan 0.000 0.445 456 T N -3.009 111.597 114.554 0.086 0.000 2.976 456 T HA 0.120 4.470 4.350 -0.001 0.000 0.257 456 T C 1.890 176.659 174.700 0.114 0.000 1.051 456 T CA 1.038 63.178 62.100 0.067 0.000 1.141 456 T CB -0.317 68.559 68.868 0.013 0.000 0.881 456 T HN 0.238 nan 8.240 nan 0.000 0.461 457 L N 1.120 122.419 121.223 0.126 0.000 2.131 457 L HA 0.176 4.515 4.340 -0.001 0.000 0.206 457 L C 1.349 178.569 176.870 0.582 0.000 1.087 457 L CA 0.504 55.465 54.840 0.202 0.000 0.767 457 L CB -0.320 41.633 42.059 -0.177 0.000 0.917 457 L HN 0.422 nan 8.230 nan 0.000 0.441 458 K N 1.449 122.171 120.400 0.536 0.000 2.494 458 K HA 0.079 4.399 4.320 -0.001 0.000 0.273 458 K C -2.236 174.224 176.600 -0.233 0.000 0.970 458 K CA -1.147 55.247 56.287 0.179 0.000 0.963 458 K CB -0.612 31.944 32.500 0.094 0.000 0.913 458 K HN -0.018 nan 8.250 nan 0.000 0.502 459 P HA 0.000 nan 4.420 nan 0.000 0.216 459 P CA 0.000 62.635 63.100 -0.775 0.000 0.800 459 P CB 0.000 31.186 31.700 -0.856 0.000 0.726