REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2xr8_1_C DATA FIRST_RESID 18 DATA SEQUENCE NWTPEAIRGL VDQEKGLLDP RIYADQSLYE LELERVFGRS WLLLGHESHV DATA SEQUENCE PETGDFLATY MGEDPVVMVR QKDKSIKVFL NQCRHRGMRI CRSDAGNAKA DATA SEQUENCE FTCSYHGWAY DIAGKLVNVP FEKEAFXXXX XXXXXFDKAE WGPLQARVAT DATA SEQUENCE YKGLVFANWD VQAPDLETYL GDARPYMDVM LDRTPAGTVA IGGMQKWVIP DATA SEQUENCE CNWKFAAEQF CSDMYHAGTT THLSGILAGI PPEMDLSQAQ IPTKGNQFRA DATA SEQUENCE AWGGHGSGWY VDEPGSLLAV MGPKVTQYWT EGPAAELAEQ RLGHTGMPVR DATA SEQUENCE RMVGQHMTIF PTCSFLPTFN NIRIWHPRGP NEIEVWAFTL VDADAPAEIK DATA SEQUENCE EEYRRHNIRN FSAGGVFEQD DGENWVEIQK GLRGYKAKSQ PLNAQMGLGR DATA SEQUENCE SQTGHPDFPG NVGYVYAEEA ARGMYHHWMR MMSEPSWATL KP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 18 N HA 0.000 nan 4.740 nan 0.000 0.220 18 N C 0.000 175.446 175.510 -0.107 0.000 1.280 18 N CA 0.000 53.029 53.050 -0.035 0.000 0.885 18 N CB 0.000 38.486 38.487 -0.001 0.000 1.341 19 W N 2.504 123.799 121.300 -0.009 0.000 2.332 19 W HA 0.290 4.964 4.660 0.022 0.000 0.306 19 W C 1.082 177.582 176.519 -0.032 0.000 1.149 19 W CA -0.164 57.171 57.345 -0.016 0.000 1.271 19 W CB 0.896 30.346 29.460 -0.017 0.000 1.243 19 W HN 0.329 nan 8.180 nan 0.000 0.459 20 T N 1.223 115.866 114.554 0.148 0.000 2.899 20 T HA 0.153 4.517 4.350 0.024 0.000 0.295 20 T C -1.740 173.015 174.700 0.092 0.000 1.033 20 T CA -1.414 60.735 62.100 0.082 0.000 1.084 20 T CB 1.368 70.255 68.868 0.033 0.000 0.979 20 T HN 0.140 nan 8.240 nan 0.000 0.532 21 P HA -0.053 nan 4.420 nan 0.000 0.219 21 P C 1.145 178.451 177.300 0.009 0.000 1.146 21 P CA 0.859 63.957 63.100 -0.003 0.000 0.808 21 P CB 0.082 31.766 31.700 -0.027 0.000 0.779 22 E N -0.274 119.943 120.200 0.027 0.000 2.072 22 E HA -0.090 4.274 4.350 0.024 0.000 0.191 22 E C 2.165 178.804 176.600 0.066 0.000 0.985 22 E CA 1.465 57.884 56.400 0.032 0.000 0.801 22 E CB -1.180 28.534 29.700 0.023 0.000 0.750 22 E HN 0.142 nan 8.360 nan 0.000 0.452 23 A N 0.801 123.691 122.820 0.116 0.000 1.930 23 A HA -0.121 4.213 4.320 0.024 0.000 0.217 23 A C 2.029 179.771 177.584 0.263 0.000 1.175 23 A CA 0.910 53.078 52.037 0.218 0.000 0.627 23 A CB -0.402 18.770 19.000 0.286 0.000 0.815 23 A HN 0.126 nan 8.150 nan 0.000 0.443 24 I N -0.152 120.521 120.570 0.171 0.000 2.179 24 I HA -0.192 3.992 4.170 0.024 0.000 0.242 24 I C 2.472 178.587 176.117 -0.004 0.000 1.088 24 I CA 1.371 62.678 61.300 0.012 0.000 1.357 24 I CB -1.286 36.644 38.000 -0.117 0.000 1.051 24 I HN 0.359 nan 8.210 nan 0.000 0.409 25 R N 0.475 120.972 120.500 -0.004 0.000 2.152 25 R HA -0.095 4.259 4.340 0.024 0.000 0.232 25 R C 2.163 178.479 176.300 0.026 0.000 1.117 25 R CA 1.236 57.331 56.100 -0.010 0.000 0.981 25 R CB -0.495 29.796 30.300 -0.014 0.000 0.870 25 R HN 0.444 nan 8.270 nan 0.000 0.451 26 G N 0.148 108.978 108.800 0.050 0.000 2.813 26 G HA2 -0.062 3.912 3.960 0.024 0.000 0.209 26 G HA3 -0.062 3.912 3.960 0.024 0.000 0.209 26 G C 1.280 176.210 174.900 0.050 0.000 1.150 26 G CA -0.142 44.989 45.100 0.052 0.000 0.785 26 G HN 0.130 nan 8.290 nan 0.000 0.535 27 L N -0.082 121.176 121.223 0.059 0.000 2.313 27 L HA 0.157 4.511 4.340 0.024 0.000 0.214 27 L C 0.221 177.071 176.870 -0.033 0.000 1.119 27 L CA 0.325 55.181 54.840 0.025 0.000 0.809 27 L CB 0.205 42.292 42.059 0.046 0.000 0.933 27 L HN -0.049 nan 8.230 nan 0.000 0.449 28 V N -0.441 119.479 119.914 0.010 0.000 2.525 28 V HA 0.283 4.417 4.120 0.024 0.000 0.299 28 V C -1.169 174.939 176.094 0.023 0.000 1.034 28 V CA -0.740 61.553 62.300 -0.013 0.000 0.863 28 V CB 2.158 34.015 31.823 0.056 0.000 0.999 28 V HN -0.081 nan 8.190 nan 0.000 0.423 29 D N 3.228 123.627 120.400 -0.002 0.000 2.460 29 D HA 0.244 4.899 4.640 0.024 0.000 0.232 29 D C 0.663 176.971 176.300 0.013 0.000 1.079 29 D CA -0.128 53.881 54.000 0.015 0.000 0.864 29 D CB 1.994 42.794 40.800 -0.001 0.000 1.048 29 D HN 0.646 nan 8.370 nan 0.000 0.523 30 Q N 2.871 122.693 119.800 0.036 0.000 2.137 30 Q HA -0.098 4.257 4.340 0.024 0.000 0.198 30 Q C 0.857 176.837 176.000 -0.033 0.000 0.960 30 Q CA 0.911 56.711 55.803 -0.004 0.000 0.847 30 Q CB 0.451 29.157 28.738 -0.053 0.000 0.915 30 Q HN 0.427 nan 8.270 nan 0.000 0.448 31 E N 0.977 121.161 120.200 -0.026 0.000 2.051 31 E HA -0.167 4.197 4.350 0.024 0.000 0.192 31 E C 1.696 178.284 176.600 -0.021 0.000 0.991 31 E CA 1.205 57.588 56.400 -0.028 0.000 0.799 31 E CB -0.025 29.665 29.700 -0.017 0.000 0.748 31 E HN 0.378 nan 8.360 nan 0.000 0.449 32 K N -0.517 119.874 120.400 -0.015 0.000 2.361 32 K HA 0.111 4.445 4.320 0.024 0.000 0.196 32 K C 0.739 177.327 176.600 -0.019 0.000 1.039 32 K CA 0.524 56.802 56.287 -0.015 0.000 1.001 32 K CB 0.529 33.022 32.500 -0.013 0.000 0.795 32 K HN 0.210 nan 8.250 nan 0.000 0.495 33 G N 2.148 110.936 108.800 -0.021 0.000 2.326 33 G HA2 -0.232 3.742 3.960 0.024 0.000 0.286 33 G HA3 -0.232 3.742 3.960 0.024 0.000 0.286 33 G C -0.453 174.428 174.900 -0.033 0.000 1.096 33 G CA -0.162 44.924 45.100 -0.023 0.000 1.003 33 G HN 0.117 nan 8.290 nan 0.000 0.503 34 L N -0.569 120.629 121.223 -0.043 0.000 2.381 34 L HA 0.760 5.114 4.340 0.024 0.000 0.268 34 L C 0.217 177.023 176.870 -0.106 0.000 0.997 34 L CA -1.105 53.699 54.840 -0.060 0.000 0.818 34 L CB 2.143 44.176 42.059 -0.042 0.000 1.310 34 L HN 0.111 nan 8.230 nan 0.000 0.416 35 L N 2.074 123.210 121.223 -0.146 0.000 2.381 35 L HA 0.407 4.761 4.340 0.024 0.000 0.274 35 L C -0.603 176.153 176.870 -0.189 0.000 0.988 35 L CA -0.632 54.057 54.840 -0.250 0.000 0.824 35 L CB 2.090 43.902 42.059 -0.412 0.000 1.263 35 L HN 0.503 nan 8.230 nan 0.000 0.410 36 D N 5.676 125.959 120.400 -0.196 0.000 2.371 36 D HA 0.092 4.746 4.640 0.024 0.000 0.256 36 D C -1.554 174.629 176.300 -0.195 0.000 1.193 36 D CA -1.520 52.396 54.000 -0.139 0.000 0.881 36 D CB 1.712 42.459 40.800 -0.088 0.000 1.143 36 D HN 0.271 nan 8.370 nan 0.000 0.473 37 P HA -0.048 nan 4.420 nan 0.000 0.234 37 P C 1.027 178.332 177.300 0.008 0.000 1.167 37 P CA 0.420 63.548 63.100 0.047 0.000 0.763 37 P CB 0.319 32.077 31.700 0.097 0.000 0.835 38 R N 0.375 120.842 120.500 -0.056 0.000 2.189 38 R HA -0.024 4.330 4.340 0.024 0.000 0.223 38 R C 2.377 178.596 176.300 -0.135 0.000 1.092 38 R CA 0.929 57.018 56.100 -0.017 0.000 0.989 38 R CB -0.842 29.504 30.300 0.076 0.000 0.876 38 R HN 0.346 nan 8.270 nan 0.000 0.457 39 I N -2.708 117.628 120.570 -0.389 0.000 2.756 39 I HA -0.204 3.980 4.170 0.024 0.000 0.262 39 I C 0.856 176.577 176.117 -0.659 0.000 1.225 39 I CA 1.424 62.353 61.300 -0.619 0.000 1.472 39 I CB -0.237 37.116 38.000 -1.079 0.000 1.094 39 I HN 0.048 nan 8.210 nan 0.000 0.454 40 Y N 0.765 120.880 120.300 -0.310 0.000 2.478 40 Y HA 0.470 5.034 4.550 0.023 0.000 0.261 40 Y C 2.340 178.175 175.900 -0.108 0.000 1.127 40 Y CA 0.233 58.144 58.100 -0.316 0.000 1.288 40 Y CB 0.350 38.600 38.460 -0.349 0.000 1.084 40 Y HN 0.236 nan 8.280 nan 0.000 0.530 41 A N -1.457 121.409 122.820 0.076 0.000 2.140 41 A HA 0.055 4.389 4.320 0.024 0.000 0.199 41 A C 0.266 177.907 177.584 0.095 0.000 1.416 41 A CA -0.206 51.888 52.037 0.094 0.000 1.018 41 A CB 0.215 19.279 19.000 0.107 0.000 1.117 41 A HN 0.114 nan 8.150 nan 0.000 0.480 42 D N 0.375 120.836 120.400 0.102 0.000 2.417 42 D HA 0.116 4.770 4.640 0.024 0.000 0.250 42 D C 0.815 177.224 176.300 0.182 0.000 1.166 42 D CA 0.160 54.256 54.000 0.160 0.000 0.881 42 D CB 1.428 42.350 40.800 0.204 0.000 1.164 42 D HN 0.248 nan 8.370 nan 0.000 0.467 43 Q N 2.167 122.079 119.800 0.186 0.000 2.079 43 Q HA -0.118 4.237 4.340 0.024 0.000 0.200 43 Q C 1.757 177.907 176.000 0.250 0.000 0.974 43 Q CA 1.469 57.389 55.803 0.195 0.000 0.840 43 Q CB -0.068 28.756 28.738 0.143 0.000 0.898 43 Q HN 0.399 nan 8.270 nan 0.000 0.430 44 S N 0.020 115.883 115.700 0.272 0.000 2.382 44 S HA -0.087 4.397 4.470 0.024 0.000 0.228 44 S C 1.766 176.487 174.600 0.202 0.000 1.027 44 S CA 1.100 59.482 58.200 0.305 0.000 0.991 44 S CB -0.290 63.210 63.200 0.501 0.000 0.823 44 S HN 0.376 nan 8.310 nan 0.000 0.469 45 L N -0.294 120.982 121.223 0.089 0.000 2.141 45 L HA -0.107 4.247 4.340 0.024 0.000 0.209 45 L C 2.297 179.232 176.870 0.109 0.000 1.094 45 L CA 1.242 56.021 54.840 -0.101 0.000 0.763 45 L CB -0.410 41.529 42.059 -0.201 0.000 0.908 45 L HN 0.349 nan 8.230 nan 0.000 0.437 46 Y N 1.041 121.404 120.300 0.104 0.000 2.184 46 Y HA -0.256 4.312 4.550 0.030 0.000 0.290 46 Y C 2.444 178.424 175.900 0.134 0.000 1.129 46 Y CA 1.700 59.900 58.100 0.166 0.000 1.144 46 Y CB 0.012 38.562 38.460 0.150 0.000 0.995 46 Y HN 0.092 nan 8.280 nan 0.000 0.513 47 E N -0.166 120.113 120.200 0.131 0.000 2.130 47 E HA -0.202 4.162 4.350 0.024 0.000 0.196 47 E C 2.026 178.598 176.600 -0.046 0.000 0.998 47 E CA 1.373 57.791 56.400 0.030 0.000 0.806 47 E CB -0.289 29.474 29.700 0.104 0.000 0.738 47 E HN 0.346 nan 8.360 nan 0.000 0.459 48 L N 0.686 121.893 121.223 -0.028 0.000 2.217 48 L HA -0.108 4.246 4.340 0.024 0.000 0.211 48 L C 1.935 178.747 176.870 -0.096 0.000 1.107 48 L CA 1.559 56.357 54.840 -0.069 0.000 0.783 48 L CB -0.774 41.226 42.059 -0.099 0.000 0.919 48 L HN 0.249 nan 8.230 nan 0.000 0.442 49 E N -0.253 119.907 120.200 -0.066 0.000 2.106 49 E HA -0.189 4.175 4.350 0.024 0.000 0.192 49 E C 2.330 178.973 176.600 0.072 0.000 0.984 49 E CA 0.746 57.166 56.400 0.033 0.000 0.806 49 E CB 0.021 29.879 29.700 0.263 0.000 0.750 49 E HN 0.440 nan 8.360 nan 0.000 0.458 50 L N 0.679 121.849 121.223 -0.087 0.000 2.093 50 L HA -0.163 4.191 4.340 0.024 0.000 0.208 50 L C 2.628 179.501 176.870 0.006 0.000 1.085 50 L CA 1.099 55.912 54.840 -0.046 0.000 0.755 50 L CB -0.332 41.616 42.059 -0.186 0.000 0.904 50 L HN 0.174 nan 8.230 nan 0.000 0.435 51 E N 0.171 120.348 120.200 -0.038 0.000 2.021 51 E HA -0.142 4.222 4.350 0.024 0.000 0.189 51 E C 2.316 178.892 176.600 -0.041 0.000 0.980 51 E CA 0.677 57.053 56.400 -0.039 0.000 0.803 51 E CB 0.249 29.917 29.700 -0.053 0.000 0.766 51 E HN 0.277 nan 8.360 nan 0.000 0.449 52 R N -0.033 120.415 120.500 -0.087 0.000 2.173 52 R HA 0.071 4.425 4.340 0.024 0.000 0.208 52 R C 2.079 178.291 176.300 -0.147 0.000 1.035 52 R CA 0.394 56.407 56.100 -0.145 0.000 1.004 52 R CB 0.391 30.556 30.300 -0.225 0.000 0.917 52 R HN 0.174 nan 8.270 nan 0.000 0.462 53 V N -0.547 119.288 119.914 -0.130 0.000 2.635 53 V HA 0.005 4.139 4.120 0.024 0.000 0.233 53 V C 1.732 177.686 176.094 -0.233 0.000 1.097 53 V CA 0.940 63.116 62.300 -0.206 0.000 1.134 53 V CB -0.472 31.154 31.823 -0.327 0.000 0.841 53 V HN -0.005 nan 8.190 nan 0.000 0.496 54 F N 1.728 121.617 119.950 -0.101 0.000 2.325 54 F HA 0.098 4.642 4.527 0.027 0.000 0.299 54 F C 2.287 178.120 175.800 0.056 0.000 1.090 54 F CA 1.290 59.238 58.000 -0.086 0.000 1.392 54 F CB -0.696 38.208 39.000 -0.160 0.000 1.053 54 F HN 0.262 nan 8.300 nan 0.000 0.521 55 G N 0.218 109.153 108.800 0.224 0.000 2.848 55 G HA2 -0.061 3.913 3.960 0.024 0.000 0.208 55 G HA3 -0.061 3.913 3.960 0.024 0.000 0.208 55 G C 1.223 176.294 174.900 0.284 0.000 1.152 55 G CA 0.257 45.516 45.100 0.264 0.000 0.789 55 G HN 0.479 nan 8.290 nan 0.000 0.531 56 R N -1.383 119.237 120.500 0.201 0.000 2.478 56 R HA 0.302 4.657 4.340 0.024 0.000 0.377 56 R C -0.325 176.090 176.300 0.192 0.000 0.853 56 R CA -0.290 55.944 56.100 0.222 0.000 1.113 56 R CB -0.072 30.453 30.300 0.375 0.000 1.725 56 R HN 0.047 nan 8.270 nan 0.000 0.524 57 S N 0.618 116.360 115.700 0.071 0.000 2.687 57 S HA 0.375 4.860 4.470 0.024 0.000 0.283 57 S C -1.051 173.390 174.600 -0.266 0.000 1.170 57 S CA -0.579 57.643 58.200 0.036 0.000 1.008 57 S CB 0.695 63.947 63.200 0.087 0.000 1.026 57 S HN 0.250 nan 8.310 nan 0.000 0.541 58 W N 2.205 123.279 121.300 -0.376 0.000 2.358 58 W HA 0.493 5.167 4.660 0.024 0.000 0.307 58 W C -0.742 175.818 176.519 0.068 0.000 1.203 58 W CA -0.310 56.867 57.345 -0.280 0.000 1.279 58 W CB 0.082 29.161 29.460 -0.634 0.000 1.264 58 W HN 0.260 nan 8.180 nan 0.000 0.474 59 L N 5.145 126.557 121.223 0.314 0.000 2.341 59 L HA 0.431 4.785 4.340 0.024 0.000 0.278 59 L C -0.269 176.692 176.870 0.153 0.000 1.005 59 L CA -1.348 53.628 54.840 0.226 0.000 0.818 59 L CB 1.162 43.267 42.059 0.076 0.000 1.259 59 L HN 0.199 nan 8.230 nan 0.000 0.418 60 L N 3.519 124.729 121.223 -0.022 0.000 2.367 60 L HA 0.197 4.551 4.340 0.024 0.000 0.275 60 L C 0.400 177.172 176.870 -0.163 0.000 1.129 60 L CA 0.604 55.210 54.840 -0.390 0.000 0.839 60 L CB 0.619 42.404 42.059 -0.456 0.000 1.133 60 L HN 0.609 nan 8.230 nan 0.000 0.453 61 L N 4.614 125.743 121.223 -0.156 0.000 2.609 61 L HA 0.514 4.868 4.340 0.024 0.000 0.230 61 L C 0.990 177.839 176.870 -0.035 0.000 1.087 61 L CA 0.389 55.190 54.840 -0.064 0.000 0.874 61 L CB -0.155 41.855 42.059 -0.081 0.000 1.114 61 L HN 0.920 nan 8.230 nan 0.000 0.488 62 G N -1.210 107.575 108.800 -0.025 0.000 2.247 62 G HA2 -0.051 3.923 3.960 0.024 0.000 0.229 62 G HA3 -0.051 3.923 3.960 0.024 0.000 0.229 62 G C -1.624 173.329 174.900 0.089 0.000 1.345 62 G CA -0.712 44.380 45.100 -0.015 0.000 1.100 62 G HN 0.015 nan 8.290 nan 0.000 0.473 63 H N 0.658 119.763 119.070 0.059 0.000 2.621 63 H HA 0.488 5.058 4.556 0.023 0.000 0.360 63 H C 1.170 176.457 175.328 -0.068 0.000 1.163 63 H CA -0.058 55.951 56.048 -0.065 0.000 1.194 63 H CB 2.151 31.744 29.762 -0.283 0.000 1.649 63 H HN 0.648 nan 8.280 nan 0.000 0.532 64 E N 1.003 121.053 120.200 -0.249 0.000 2.160 64 E HA -0.151 4.213 4.350 0.024 0.000 0.195 64 E C 1.606 178.240 176.600 0.056 0.000 0.991 64 E CA 1.579 57.932 56.400 -0.078 0.000 0.810 64 E CB 0.263 29.873 29.700 -0.149 0.000 0.742 64 E HN 0.567 nan 8.360 nan 0.000 0.466 65 S N -0.646 115.184 115.700 0.218 0.000 2.561 65 S HA -0.068 4.416 4.470 0.024 0.000 0.225 65 S C 1.330 175.875 174.600 -0.092 0.000 0.977 65 S CA 0.416 58.633 58.200 0.028 0.000 0.926 65 S CB -0.325 62.844 63.200 -0.051 0.000 0.769 65 S HN 0.365 nan 8.310 nan 0.000 0.533 66 H N 1.139 120.202 119.070 -0.012 0.000 2.495 66 H HA 0.150 4.721 4.556 0.025 0.000 0.287 66 H C 0.709 175.996 175.328 -0.068 0.000 1.033 66 H CA 1.058 57.054 56.048 -0.086 0.000 1.307 66 H CB 0.263 29.936 29.762 -0.148 0.000 1.401 66 H HN 0.479 nan 8.280 nan 0.000 0.555 67 V N -1.789 118.166 119.914 0.067 0.000 2.405 67 V HA 0.224 4.358 4.120 0.024 0.000 0.253 67 V C -2.270 173.840 176.094 0.026 0.000 0.963 67 V CA -1.436 60.886 62.300 0.037 0.000 1.003 67 V CB 1.396 33.252 31.823 0.054 0.000 1.251 67 V HN 0.016 nan 8.190 nan 0.000 0.520 68 P HA -0.000 nan 4.420 nan 0.000 0.213 68 P C 0.449 177.757 177.300 0.013 0.000 1.170 68 P CA 1.327 64.432 63.100 0.008 0.000 0.889 68 P CB 0.490 32.187 31.700 -0.004 0.000 0.782 69 E N -0.050 120.158 120.200 0.012 0.000 2.312 69 E HA 0.194 4.558 4.350 0.024 0.000 0.259 69 E C 0.110 176.732 176.600 0.036 0.000 1.122 69 E CA -0.274 56.136 56.400 0.018 0.000 0.922 69 E CB -0.418 29.288 29.700 0.010 0.000 1.109 69 E HN -0.041 nan 8.360 nan 0.000 0.442 70 T N 0.661 115.237 114.554 0.038 0.000 2.853 70 T HA 0.355 4.719 4.350 0.024 0.000 0.298 70 T C 1.090 175.831 174.700 0.068 0.000 0.978 70 T CA 0.796 62.929 62.100 0.054 0.000 1.152 70 T CB 0.252 69.145 68.868 0.043 0.000 0.914 70 T HN 0.654 nan 8.240 nan 0.000 0.539 71 G N 3.291 112.156 108.800 0.108 0.000 2.175 71 G HA2 -0.208 3.766 3.960 0.024 0.000 0.244 71 G HA3 -0.208 3.766 3.960 0.024 0.000 0.244 71 G C -0.143 174.881 174.900 0.207 0.000 0.982 71 G CA -0.358 44.826 45.100 0.141 0.000 0.641 71 G HN 0.685 nan 8.290 nan 0.000 0.527 72 D N 0.785 121.268 120.400 0.138 0.000 2.424 72 D HA 0.537 5.191 4.640 0.024 0.000 0.244 72 D C 0.586 177.003 176.300 0.195 0.000 1.134 72 D CA 0.561 54.607 54.000 0.077 0.000 0.881 72 D CB 0.374 41.180 40.800 0.010 0.000 1.191 72 D HN 0.499 nan 8.370 nan 0.000 0.445 73 F N 0.351 120.372 119.950 0.119 0.000 2.620 73 F HA 0.738 5.278 4.527 0.023 0.000 0.320 73 F C -1.553 174.276 175.800 0.048 0.000 1.069 73 F CA -1.503 56.569 58.000 0.120 0.000 0.953 73 F CB 1.151 40.313 39.000 0.271 0.000 1.322 73 F HN 0.110 nan 8.300 nan 0.000 0.479 74 L N 2.296 123.662 121.223 0.239 0.000 2.482 74 L HA 0.808 5.162 4.340 0.024 0.000 0.269 74 L C -1.036 175.908 176.870 0.123 0.000 0.967 74 L CA -0.617 54.290 54.840 0.113 0.000 0.851 74 L CB 1.609 43.658 42.059 -0.016 0.000 1.242 74 L HN 1.052 nan 8.230 nan 0.000 0.404 75 A N 3.422 126.342 122.820 0.166 0.000 2.354 75 A HA 0.695 5.030 4.320 0.024 0.000 0.281 75 A C 0.066 177.707 177.584 0.095 0.000 1.174 75 A CA 0.370 52.433 52.037 0.043 0.000 0.828 75 A CB 0.561 19.597 19.000 0.060 0.000 1.099 75 A HN 0.780 nan 8.150 nan 0.000 0.516 76 T N 1.163 115.664 114.554 -0.089 0.000 2.590 76 T HA 0.692 5.056 4.350 0.024 0.000 0.282 76 T C -1.601 172.757 174.700 -0.570 0.000 0.989 76 T CA -0.334 61.690 62.100 -0.126 0.000 1.091 76 T CB 0.541 69.423 68.868 0.023 0.000 1.460 76 T HN 0.474 nan 8.240 nan 0.000 0.499 77 Y N 0.118 120.106 120.300 -0.519 0.000 2.545 77 Y HA 0.702 5.268 4.550 0.027 0.000 0.348 77 Y C -0.136 175.656 175.900 -0.180 0.000 1.002 77 Y CA -0.927 56.908 58.100 -0.441 0.000 1.039 77 Y CB 2.272 40.239 38.460 -0.821 0.000 1.271 77 Y HN 0.414 nan 8.280 nan 0.000 0.467 78 M N 2.680 122.331 119.600 0.085 0.000 2.018 78 M HA 0.437 4.931 4.480 0.024 0.000 0.311 78 M C 0.519 176.901 176.300 0.136 0.000 0.928 78 M CA -0.092 55.279 55.300 0.118 0.000 0.911 78 M CB 1.248 33.901 32.600 0.087 0.000 1.447 78 M HN 0.997 nan 8.290 nan 0.000 0.407 79 G N 2.581 111.366 108.800 -0.025 0.000 2.574 79 G HA2 -0.258 3.716 3.960 0.024 0.000 0.301 79 G HA3 -0.258 3.716 3.960 0.024 0.000 0.301 79 G C 0.297 175.071 174.900 -0.210 0.000 1.166 79 G CA 0.335 45.208 45.100 -0.378 0.000 0.971 79 G HN 0.718 nan 8.290 nan 0.000 0.542 80 E N 1.410 121.544 120.200 -0.109 0.000 2.548 80 E HA 0.184 4.548 4.350 0.024 0.000 0.206 80 E C -0.689 175.997 176.600 0.143 0.000 1.005 80 E CA -0.209 56.180 56.400 -0.019 0.000 0.951 80 E CB 0.537 30.224 29.700 -0.022 0.000 1.035 80 E HN 0.421 nan 8.360 nan 0.000 0.470 81 D N 2.921 123.419 120.400 0.163 0.000 2.280 81 D HA 0.178 4.832 4.640 0.024 0.000 0.243 81 D C -2.447 173.914 176.300 0.101 0.000 1.129 81 D CA -1.734 52.355 54.000 0.149 0.000 0.848 81 D CB 1.648 42.547 40.800 0.165 0.000 1.107 81 D HN -0.061 nan 8.370 nan 0.000 0.471 82 P HA 0.081 nan 4.420 nan 0.000 0.281 82 P C -0.414 176.718 177.300 -0.280 0.000 1.252 82 P CA -0.446 62.367 63.100 -0.479 0.000 0.778 82 P CB 1.069 32.549 31.700 -0.367 0.000 0.895 83 V N 1.215 120.907 119.914 -0.369 0.000 3.040 83 V HA 0.683 4.818 4.120 0.024 0.000 0.312 83 V C -0.750 175.099 176.094 -0.408 0.000 1.115 83 V CA -1.126 60.999 62.300 -0.292 0.000 0.998 83 V CB 2.330 34.024 31.823 -0.214 0.000 1.042 83 V HN 0.155 nan 8.190 nan 0.000 0.433 84 V N 3.933 123.475 119.914 -0.619 0.000 2.378 84 V HA 0.469 4.603 4.120 0.024 0.000 0.288 84 V C 0.001 175.721 176.094 -0.622 0.000 1.016 84 V CA -0.300 61.568 62.300 -0.720 0.000 0.840 84 V CB 1.371 32.454 31.823 -1.233 0.000 0.994 84 V HN 1.015 nan 8.190 nan 0.000 0.431 85 M N 6.335 125.764 119.600 -0.285 0.000 2.084 85 M HA 0.665 5.159 4.480 0.024 0.000 0.351 85 M C -1.205 175.090 176.300 -0.008 0.000 1.240 85 M CA -0.230 54.983 55.300 -0.146 0.000 1.083 85 M CB 1.156 33.709 32.600 -0.077 0.000 1.593 85 M HN 0.574 nan 8.290 nan 0.000 0.463 86 V N 6.066 126.004 119.914 0.040 0.000 2.668 86 V HA 0.553 4.688 4.120 0.024 0.000 0.304 86 V C -1.117 175.081 176.094 0.173 0.000 1.071 86 V CA -0.811 61.608 62.300 0.199 0.000 0.894 86 V CB 1.978 34.021 31.823 0.366 0.000 1.008 86 V HN 0.985 nan 8.190 nan 0.000 0.425 87 R N 5.438 126.030 120.500 0.154 0.000 2.442 87 R HA 0.422 4.776 4.340 0.024 0.000 0.291 87 R C 0.098 176.471 176.300 0.123 0.000 1.069 87 R CA 0.166 56.333 56.100 0.112 0.000 1.022 87 R CB 0.661 31.009 30.300 0.081 0.000 0.976 87 R HN 0.797 nan 8.270 nan 0.000 0.443 88 Q N 3.078 122.939 119.800 0.101 0.000 2.237 88 Q HA 0.097 4.452 4.340 0.024 0.000 0.219 88 Q C 0.490 176.531 176.000 0.068 0.000 0.999 88 Q CA -0.370 55.491 55.803 0.096 0.000 0.959 88 Q CB 0.681 29.471 28.738 0.088 0.000 1.173 88 Q HN 0.631 nan 8.270 nan 0.000 0.527 89 K N 0.642 121.078 120.400 0.060 0.000 2.103 89 K HA -0.200 4.135 4.320 0.024 0.000 0.207 89 K C 0.704 177.324 176.600 0.033 0.000 1.048 89 K CA 1.939 58.251 56.287 0.042 0.000 0.930 89 K CB 0.042 32.564 32.500 0.037 0.000 0.716 89 K HN 0.646 nan 8.250 nan 0.000 0.444 90 D N -0.723 119.698 120.400 0.035 0.000 2.319 90 D HA -0.013 4.641 4.640 0.024 0.000 0.230 90 D C -0.308 176.007 176.300 0.025 0.000 1.094 90 D CA 0.098 54.114 54.000 0.026 0.000 0.856 90 D CB 0.181 40.996 40.800 0.025 0.000 0.915 90 D HN 0.106 nan 8.370 nan 0.000 0.517 91 K N -1.198 119.220 120.400 0.029 0.000 3.500 91 K HA -0.205 4.129 4.320 0.024 0.000 0.313 91 K C 0.141 176.757 176.600 0.026 0.000 1.338 91 K CA 0.924 57.225 56.287 0.025 0.000 0.963 91 K CB -2.266 30.242 32.500 0.014 0.000 1.267 91 K HN 0.489 nan 8.250 nan 0.000 0.448 92 S N 0.417 116.138 115.700 0.034 0.000 2.681 92 S HA 0.699 5.183 4.470 0.024 0.000 0.270 92 S C 0.201 174.832 174.600 0.051 0.000 1.209 92 S CA -0.868 57.355 58.200 0.038 0.000 0.988 92 S CB 1.359 64.583 63.200 0.040 0.000 1.006 92 S HN 0.238 nan 8.310 nan 0.000 0.558 93 I N 0.850 121.451 120.570 0.051 0.000 2.447 93 I HA 0.407 4.591 4.170 0.024 0.000 0.287 93 I C -0.200 175.956 176.117 0.065 0.000 1.023 93 I CA -0.534 60.801 61.300 0.058 0.000 1.083 93 I CB 1.891 39.914 38.000 0.037 0.000 1.245 93 I HN 0.581 nan 8.210 nan 0.000 0.434 94 K N 5.019 125.473 120.400 0.091 0.000 2.123 94 K HA 0.763 5.097 4.320 0.024 0.000 0.259 94 K C -1.125 175.504 176.600 0.049 0.000 0.960 94 K CA -0.847 55.506 56.287 0.110 0.000 0.872 94 K CB 2.749 35.367 32.500 0.197 0.000 1.079 94 K HN 0.247 nan 8.250 nan 0.000 0.440 95 V N 4.123 124.045 119.914 0.012 0.000 2.443 95 V HA 0.442 4.577 4.120 0.024 0.000 0.293 95 V C -0.970 175.096 176.094 -0.047 0.000 1.021 95 V CA -0.864 61.349 62.300 -0.145 0.000 0.848 95 V CB 0.489 32.189 31.823 -0.205 0.000 0.998 95 V HN 0.684 nan 8.190 nan 0.000 0.424 96 F N 3.275 123.186 119.950 -0.065 0.000 2.603 96 F HA 0.841 5.382 4.527 0.024 0.000 0.317 96 F C -0.877 174.941 175.800 0.028 0.000 1.066 96 F CA -1.810 56.195 58.000 0.007 0.000 0.941 96 F CB 1.300 40.281 39.000 -0.031 0.000 1.291 96 F HN 0.319 nan 8.300 nan 0.000 0.472 97 L N 2.883 124.337 121.223 0.384 0.000 2.513 97 L HA 0.192 4.546 4.340 0.024 0.000 0.272 97 L C 0.458 177.403 176.870 0.125 0.000 1.187 97 L CA 0.373 55.353 54.840 0.235 0.000 0.895 97 L CB -0.255 41.897 42.059 0.156 0.000 1.147 97 L HN 0.750 nan 8.230 nan 0.000 0.483 98 N N 5.266 123.946 118.700 -0.033 0.000 3.193 98 N HA 0.068 4.822 4.740 0.024 0.000 0.312 98 N C -1.003 174.484 175.510 -0.038 0.000 1.261 98 N CA 0.272 53.268 53.050 -0.090 0.000 1.208 98 N CB -0.303 38.063 38.487 -0.202 0.000 1.471 98 N HN 0.698 nan 8.380 nan 0.000 0.548 99 Q N 0.997 120.795 119.800 -0.002 0.000 2.327 99 Q HA 0.188 4.543 4.340 0.024 0.000 0.265 99 Q C -1.526 174.494 176.000 0.034 0.000 0.993 99 Q CA -0.691 55.123 55.803 0.019 0.000 0.885 99 Q CB 1.355 30.107 28.738 0.024 0.000 1.379 99 Q HN 0.377 nan 8.270 nan 0.000 0.408 100 C N 4.337 123.686 119.300 0.083 0.000 2.415 100 C HA 0.387 4.862 4.460 0.024 0.000 0.369 100 C C 1.364 176.462 174.990 0.179 0.000 1.279 100 C CA -0.208 58.919 59.018 0.181 0.000 1.886 100 C CB -0.159 27.726 27.740 0.241 0.000 2.468 100 C HN 0.960 nan 8.230 nan 0.000 0.553 101 R N 2.283 122.969 120.500 0.310 0.000 2.339 101 R HA -0.047 4.307 4.340 0.024 0.000 0.199 101 R C 1.762 178.220 176.300 0.263 0.000 1.018 101 R CA 0.436 56.749 56.100 0.355 0.000 1.036 101 R CB -0.356 30.286 30.300 0.571 0.000 0.899 101 R HN 0.859 nan 8.270 nan 0.000 0.473 102 H N 0.041 118.972 119.070 -0.232 0.000 2.266 102 H HA 0.006 4.577 4.556 0.024 0.000 0.308 102 H C 1.162 176.307 175.328 -0.304 0.000 1.057 102 H CA 1.158 56.834 56.048 -0.619 0.000 1.330 102 H CB 0.537 29.351 29.762 -1.581 0.000 1.400 102 H HN -0.062 nan 8.280 nan 0.000 0.503 103 R N -1.004 119.270 120.500 -0.376 0.000 2.538 103 R HA 0.171 4.525 4.340 0.024 0.000 0.372 103 R C 0.370 176.658 176.300 -0.021 0.000 0.950 103 R CA 0.691 56.624 56.100 -0.279 0.000 1.168 103 R CB 0.774 30.817 30.300 -0.428 0.000 1.542 103 R HN 0.627 nan 8.270 nan 0.000 0.536 104 G N 0.668 109.484 108.800 0.025 0.000 2.176 104 G HA2 -0.289 3.685 3.960 0.024 0.000 0.232 104 G HA3 -0.289 3.685 3.960 0.024 0.000 0.232 104 G C 0.003 174.957 174.900 0.089 0.000 0.986 104 G CA 0.215 45.352 45.100 0.062 0.000 0.643 104 G HN 0.228 nan 8.290 nan 0.000 0.522 105 M N 1.480 121.166 119.600 0.142 0.000 2.249 105 M HA 0.444 4.938 4.480 0.024 0.000 0.340 105 M C 0.926 177.282 176.300 0.093 0.000 1.166 105 M CA -0.824 54.556 55.300 0.133 0.000 1.115 105 M CB 0.333 33.061 32.600 0.212 0.000 1.606 105 M HN 0.337 nan 8.290 nan 0.000 0.448 106 R N 4.355 124.889 120.500 0.056 0.000 2.484 106 R HA 0.093 4.447 4.340 0.024 0.000 0.293 106 R C 0.433 176.759 176.300 0.043 0.000 1.023 106 R CA 0.111 56.227 56.100 0.027 0.000 1.037 106 R CB 0.041 30.349 30.300 0.013 0.000 0.951 106 R HN 0.942 nan 8.270 nan 0.000 0.418 107 I N 2.990 123.564 120.570 0.007 0.000 2.277 107 I HA -0.121 4.063 4.170 0.024 0.000 0.243 107 I C 1.026 177.160 176.117 0.028 0.000 1.094 107 I CA 0.512 61.831 61.300 0.031 0.000 1.393 107 I CB 0.062 38.002 38.000 -0.100 0.000 1.078 107 I HN 0.534 nan 8.210 nan 0.000 0.417 108 C N 2.252 121.487 119.300 -0.108 0.000 2.251 108 C HA 0.375 4.849 4.460 0.024 0.000 0.323 108 C C 1.421 176.379 174.990 -0.055 0.000 1.241 108 C CA -0.539 58.393 59.018 -0.143 0.000 1.601 108 C CB -0.291 27.155 27.740 -0.491 0.000 2.251 108 C HN 0.367 nan 8.230 nan 0.000 0.488 109 R N 2.839 123.356 120.500 0.027 0.000 2.397 109 R HA 0.174 4.528 4.340 0.024 0.000 0.241 109 R C 0.584 176.945 176.300 0.102 0.000 0.914 109 R CA 0.032 56.167 56.100 0.059 0.000 1.071 109 R CB 0.405 30.743 30.300 0.064 0.000 1.116 109 R HN 0.808 nan 8.270 nan 0.000 0.524 110 S N -1.040 114.761 115.700 0.167 0.000 2.648 110 S HA 0.292 4.776 4.470 0.024 0.000 0.305 110 S C 0.046 174.817 174.600 0.285 0.000 1.094 110 S CA -0.989 57.349 58.200 0.229 0.000 0.983 110 S CB 1.990 65.368 63.200 0.296 0.000 1.101 110 S HN -0.160 nan 8.310 nan 0.000 0.514 111 D N 1.181 121.691 120.400 0.183 0.000 2.097 111 D HA 0.281 4.935 4.640 0.024 0.000 0.197 111 D C 0.852 177.232 176.300 0.134 0.000 0.984 111 D CA 1.789 55.863 54.000 0.123 0.000 0.826 111 D CB -0.306 40.497 40.800 0.004 0.000 0.973 111 D HN 0.806 nan 8.370 nan 0.000 0.460 112 A N -1.525 121.303 122.820 0.014 0.000 2.588 112 A HA 0.746 5.080 4.320 0.024 0.000 0.290 112 A C 0.001 177.179 177.584 -0.676 0.000 1.136 112 A CA 0.009 51.838 52.037 -0.347 0.000 0.681 112 A CB 1.637 20.499 19.000 -0.230 0.000 1.282 112 A HN 0.404 nan 8.150 nan 0.000 0.421 113 G N -0.223 107.956 108.800 -1.034 0.000 2.320 113 G HA2 0.277 4.251 3.960 0.024 0.000 0.274 113 G HA3 0.277 4.251 3.960 0.024 0.000 0.274 113 G C -1.537 172.944 174.900 -0.698 0.000 1.324 113 G CA -0.177 44.508 45.100 -0.691 0.000 0.957 113 G HN 1.105 nan 8.290 nan 0.000 0.481 114 N N 0.331 118.920 118.700 -0.185 0.000 2.321 114 N HA 0.684 5.438 4.740 0.024 0.000 0.299 114 N C -0.514 175.128 175.510 0.220 0.000 1.048 114 N CA 0.220 53.289 53.050 0.031 0.000 0.836 114 N CB 1.951 40.441 38.487 0.004 0.000 1.269 114 N HN 1.276 nan 8.380 nan 0.000 0.486 115 A N 2.864 125.809 122.820 0.207 0.000 2.393 115 A HA 0.405 4.739 4.320 0.024 0.000 0.306 115 A C 0.447 177.954 177.584 -0.130 0.000 1.050 115 A CA -0.594 51.409 52.037 -0.057 0.000 0.724 115 A CB 1.400 20.060 19.000 -0.566 0.000 1.248 115 A HN 0.691 nan 8.150 nan 0.000 0.424 116 K N 0.476 120.795 120.400 -0.135 0.000 2.211 116 K HA 0.373 4.708 4.320 0.024 0.000 0.201 116 K C 0.649 177.172 176.600 -0.128 0.000 1.052 116 K CA 1.432 57.664 56.287 -0.091 0.000 0.973 116 K CB 0.313 32.782 32.500 -0.050 0.000 0.766 116 K HN 0.970 nan 8.250 nan 0.000 0.466 117 A N 0.175 122.852 122.820 -0.239 0.000 2.586 117 A HA 0.660 4.994 4.320 0.024 0.000 0.290 117 A C -1.657 175.694 177.584 -0.387 0.000 1.086 117 A CA -0.787 51.128 52.037 -0.204 0.000 0.665 117 A CB 0.558 19.532 19.000 -0.043 0.000 1.279 117 A HN 0.016 nan 8.150 nan 0.000 0.423 118 F N 0.497 120.514 119.950 0.111 0.000 2.469 118 F HA 0.692 5.234 4.527 0.024 0.000 0.332 118 F C 0.440 176.371 175.800 0.218 0.000 1.103 118 F CA -0.147 57.926 58.000 0.121 0.000 0.979 118 F CB 2.911 41.979 39.000 0.113 0.000 1.137 118 F HN 0.438 nan 8.300 nan 0.000 0.463 119 T N 1.183 115.956 114.554 0.365 0.000 2.881 119 T HA 0.194 4.558 4.350 0.024 0.000 0.290 119 T C -1.132 173.759 174.700 0.318 0.000 1.000 119 T CA -0.616 61.674 62.100 0.316 0.000 0.978 119 T CB 1.383 70.361 68.868 0.182 0.000 0.997 119 T HN 0.779 nan 8.240 nan 0.000 0.443 120 C N 3.868 123.400 119.300 0.386 0.000 2.627 120 C HA 0.333 4.808 4.460 0.024 0.000 0.404 120 C C 2.166 177.303 174.990 0.245 0.000 1.340 120 C CA 0.181 59.398 59.018 0.332 0.000 1.758 120 C CB -1.060 26.932 27.740 0.420 0.000 2.501 120 C HN 1.078 nan 8.230 nan 0.000 0.588 121 S N 4.340 120.150 115.700 0.182 0.000 2.515 121 S HA -0.122 4.363 4.470 0.024 0.000 0.231 121 S C 1.445 176.121 174.600 0.127 0.000 0.987 121 S CA 0.820 59.097 58.200 0.127 0.000 0.936 121 S CB -0.481 62.763 63.200 0.073 0.000 0.766 121 S HN 0.949 nan 8.310 nan 0.000 0.528 122 Y N 1.389 121.675 120.300 -0.023 0.000 2.138 122 Y HA -0.042 4.524 4.550 0.026 0.000 0.286 122 Y C 1.768 177.433 175.900 -0.392 0.000 1.115 122 Y CA 1.363 59.329 58.100 -0.223 0.000 1.105 122 Y CB 0.196 38.535 38.460 -0.202 0.000 1.004 122 Y HN 0.444 nan 8.280 nan 0.000 0.494 123 H N -1.664 117.534 119.070 0.214 0.000 2.916 123 H HA 0.291 4.861 4.556 0.024 0.000 0.262 123 H C 0.880 176.341 175.328 0.223 0.000 1.178 123 H CA 0.386 56.513 56.048 0.131 0.000 1.090 123 H CB 1.046 30.784 29.762 -0.041 0.000 1.657 123 H HN 0.458 nan 8.280 nan 0.000 0.601 124 G N 0.403 109.388 108.800 0.308 0.000 2.160 124 G HA2 -0.288 3.686 3.960 0.024 0.000 0.251 124 G HA3 -0.288 3.686 3.960 0.024 0.000 0.251 124 G C -0.480 174.601 174.900 0.302 0.000 1.008 124 G CA -0.300 44.958 45.100 0.264 0.000 0.724 124 G HN 0.245 nan 8.290 nan 0.000 0.514 125 W N 0.861 122.184 121.300 0.038 0.000 2.591 125 W HA 0.572 5.247 4.660 0.026 0.000 0.330 125 W C 0.654 177.003 176.519 -0.284 0.000 1.435 125 W CA -0.154 57.108 57.345 -0.138 0.000 1.350 125 W CB 0.065 29.477 29.460 -0.079 0.000 1.434 125 W HN 0.663 nan 8.180 nan 0.000 0.553 126 A N 5.476 128.152 122.820 -0.240 0.000 2.301 126 A HA 0.749 5.083 4.320 0.024 0.000 0.312 126 A C -1.602 175.744 177.584 -0.397 0.000 1.182 126 A CA -0.427 51.500 52.037 -0.182 0.000 0.826 126 A CB 0.474 19.424 19.000 -0.084 0.000 1.134 126 A HN 0.503 nan 8.150 nan 0.000 0.501 127 Y N 0.931 121.288 120.300 0.095 0.000 2.499 127 Y HA 0.437 5.001 4.550 0.024 0.000 0.347 127 Y C 0.248 176.196 175.900 0.080 0.000 0.987 127 Y CA -1.004 57.133 58.100 0.062 0.000 1.044 127 Y CB 1.676 40.170 38.460 0.057 0.000 1.245 127 Y HN 0.839 nan 8.280 nan 0.000 0.461 128 D N 0.966 121.478 120.400 0.187 0.000 2.433 128 D HA 0.090 4.744 4.640 0.024 0.000 0.255 128 D C 1.082 177.529 176.300 0.245 0.000 1.226 128 D CA -0.523 53.564 54.000 0.145 0.000 1.015 128 D CB 0.592 41.436 40.800 0.073 0.000 1.091 128 D HN 0.633 nan 8.370 nan 0.000 0.527 129 I N -3.574 117.126 120.570 0.218 0.000 2.756 129 I HA 0.027 4.211 4.170 0.024 0.000 0.262 129 I C 1.754 178.089 176.117 0.363 0.000 1.225 129 I CA 1.019 62.538 61.300 0.365 0.000 1.472 129 I CB -0.357 37.782 38.000 0.232 0.000 1.094 129 I HN 0.314 nan 8.210 nan 0.000 0.454 130 A N 1.394 124.334 122.820 0.201 0.000 2.119 130 A HA 0.377 4.712 4.320 0.024 0.000 0.216 130 A C 2.003 179.596 177.584 0.015 0.000 1.152 130 A CA 0.754 52.879 52.037 0.147 0.000 0.708 130 A CB -0.800 18.250 19.000 0.084 0.000 0.805 130 A HN 0.908 nan 8.150 nan 0.000 0.460 131 G N -1.050 107.632 108.800 -0.198 0.000 2.131 131 G HA2 -0.214 3.761 3.960 0.024 0.000 0.223 131 G HA3 -0.214 3.761 3.960 0.024 0.000 0.223 131 G C 0.074 174.757 174.900 -0.361 0.000 0.990 131 G CA 0.349 44.918 45.100 -0.884 0.000 0.671 131 G HN 0.624 nan 8.290 nan 0.000 0.521 132 K N 0.190 120.551 120.400 -0.066 0.000 2.156 132 K HA 0.597 4.931 4.320 0.024 0.000 0.271 132 K C 0.242 176.918 176.600 0.126 0.000 0.995 132 K CA -1.057 55.248 56.287 0.030 0.000 0.890 132 K CB 0.849 33.347 32.500 -0.003 0.000 1.073 132 K HN 0.174 nan 8.250 nan 0.000 0.454 133 L N 6.514 127.804 121.223 0.113 0.000 2.456 133 L HA 0.022 4.376 4.340 0.024 0.000 0.277 133 L C 0.469 177.213 176.870 -0.210 0.000 1.124 133 L CA 0.444 55.191 54.840 -0.155 0.000 0.880 133 L CB 0.800 42.775 42.059 -0.141 0.000 1.192 133 L HN 0.583 nan 8.230 nan 0.000 0.463 134 V N 1.483 121.257 119.914 -0.233 0.000 3.523 134 V HA 0.399 4.534 4.120 0.024 0.000 0.255 134 V C 0.572 176.540 176.094 -0.210 0.000 1.226 134 V CA 0.056 62.252 62.300 -0.173 0.000 1.092 134 V CB -0.202 31.562 31.823 -0.098 0.000 0.817 134 V HN 0.831 nan 8.190 nan 0.000 0.458 135 N N 0.206 118.736 118.700 -0.283 0.000 2.397 135 N HA 0.440 5.194 4.740 0.024 0.000 0.291 135 N C -1.933 173.338 175.510 -0.397 0.000 1.065 135 N CA -0.059 52.827 53.050 -0.274 0.000 0.884 135 N CB 2.921 41.299 38.487 -0.182 0.000 1.551 135 N HN 0.075 nan 8.380 nan 0.000 0.487 136 V N 4.672 124.327 119.914 -0.432 0.000 2.378 136 V HA 0.424 4.558 4.120 0.024 0.000 0.288 136 V C -2.142 173.788 176.094 -0.272 0.000 1.016 136 V CA -1.681 60.273 62.300 -0.576 0.000 0.840 136 V CB 1.638 32.916 31.823 -0.907 0.000 0.994 136 V HN 0.558 nan 8.190 nan 0.000 0.431 137 P HA 0.266 nan 4.420 nan 0.000 0.267 137 P C -0.021 177.326 177.300 0.077 0.000 1.205 137 P CA 0.155 63.197 63.100 -0.098 0.000 0.765 137 P CB -0.043 31.684 31.700 0.046 0.000 0.828 138 F N -0.246 119.715 119.950 0.018 0.000 3.074 138 F HA -0.250 4.291 4.527 0.023 0.000 0.289 138 F C 1.659 177.512 175.800 0.087 0.000 0.863 138 F CA 0.860 58.882 58.000 0.038 0.000 1.121 138 F CB -1.920 37.102 39.000 0.037 0.000 1.169 138 F HN 0.407 nan 8.300 nan 0.000 0.570 139 E N 1.213 121.501 120.200 0.147 0.000 2.077 139 E HA -0.232 4.132 4.350 0.024 0.000 0.193 139 E C 1.922 178.644 176.600 0.202 0.000 0.989 139 E CA 1.819 58.318 56.400 0.166 0.000 0.800 139 E CB 0.066 29.731 29.700 -0.059 0.000 0.746 139 E HN 0.597 nan 8.360 nan 0.000 0.452 140 K N -0.006 120.461 120.400 0.111 0.000 2.211 140 K HA -0.131 4.203 4.320 0.024 0.000 0.203 140 K C 1.875 178.529 176.600 0.090 0.000 1.050 140 K CA 1.250 57.589 56.287 0.088 0.000 0.945 140 K CB -0.004 32.523 32.500 0.047 0.000 0.732 140 K HN 0.090 nan 8.250 nan 0.000 0.451 141 E N 0.172 120.444 120.200 0.119 0.000 2.318 141 E HA 0.025 4.389 4.350 0.024 0.000 0.193 141 E C 1.177 177.780 176.600 0.004 0.000 0.998 141 E CA 0.741 57.191 56.400 0.084 0.000 0.859 141 E CB 0.471 30.263 29.700 0.153 0.000 0.812 141 E HN 0.346 nan 8.360 nan 0.000 0.492 142 A N -0.975 121.835 122.820 -0.016 0.000 2.600 142 A HA 0.364 4.699 4.320 0.024 0.000 0.252 142 A C -0.074 177.184 177.584 -0.544 0.000 1.200 142 A CA -0.309 51.567 52.037 -0.269 0.000 0.981 142 A CB 0.407 19.193 19.000 -0.356 0.000 1.207 142 A HN 0.086 nan 8.150 nan 0.000 0.577 154 D N 5.164 125.254 120.400 -0.516 0.000 2.757 154 D HA 0.373 5.027 4.640 0.024 0.000 0.249 154 D C 0.251 176.188 176.300 -0.605 0.000 1.168 154 D CA -0.459 53.275 54.000 -0.443 0.000 0.870 154 D CB 2.087 42.795 40.800 -0.153 0.000 1.411 154 D HN 0.595 nan 8.370 nan 0.000 0.525 155 K N 1.922 121.956 120.400 -0.611 0.000 2.097 155 K HA -0.079 4.255 4.320 0.024 0.000 0.206 155 K C 1.724 178.193 176.600 -0.219 0.000 1.049 155 K CA 1.141 57.138 56.287 -0.483 0.000 0.933 155 K CB 0.012 32.285 32.500 -0.379 0.000 0.717 155 K HN 0.472 nan 8.250 nan 0.000 0.442 156 A N 1.659 124.375 122.820 -0.174 0.000 2.024 156 A HA -0.202 4.132 4.320 0.024 0.000 0.220 156 A C 1.641 179.164 177.584 -0.101 0.000 1.164 156 A CA 1.489 53.461 52.037 -0.109 0.000 0.643 156 A CB -0.266 18.678 19.000 -0.095 0.000 0.806 156 A HN 0.338 nan 8.150 nan 0.000 0.451 157 E N -2.626 117.495 120.200 -0.132 0.000 2.400 157 E HA -0.059 4.305 4.350 0.024 0.000 0.195 157 E C 0.396 176.790 176.600 -0.344 0.000 1.012 157 E CA 0.195 56.454 56.400 -0.234 0.000 0.875 157 E CB 0.016 29.547 29.700 -0.282 0.000 0.859 157 E HN 0.885 nan 8.360 nan 0.000 0.498 158 W N 1.305 122.547 121.300 -0.097 0.000 2.926 158 W HA 0.299 4.973 4.660 0.023 0.000 0.419 158 W C 0.837 177.452 176.519 0.159 0.000 0.993 158 W CA -0.544 56.829 57.345 0.046 0.000 2.025 158 W CB 0.705 30.208 29.460 0.072 0.000 1.152 158 W HN -0.095 nan 8.180 nan 0.000 0.659 159 G N 2.086 111.018 108.800 0.221 0.000 2.572 159 G HA2 0.344 4.318 3.960 0.024 0.000 0.261 159 G HA3 0.344 4.318 3.960 0.024 0.000 0.261 159 G C -2.167 172.817 174.900 0.139 0.000 1.197 159 G CA -0.943 44.296 45.100 0.231 0.000 0.870 159 G HN -0.248 nan 8.290 nan 0.000 0.548 160 P HA 0.092 nan 4.420 nan 0.000 0.269 160 P C 0.014 177.354 177.300 0.068 0.000 1.209 160 P CA -0.617 62.505 63.100 0.036 0.000 0.776 160 P CB 1.010 32.688 31.700 -0.037 0.000 0.876 161 L N 2.788 124.061 121.223 0.082 0.000 2.578 161 L HA -0.033 4.322 4.340 0.024 0.000 0.279 161 L C 0.442 177.491 176.870 0.298 0.000 1.227 161 L CA 1.009 55.915 54.840 0.110 0.000 0.900 161 L CB -0.277 41.768 42.059 -0.023 0.000 1.144 161 L HN 0.288 nan 8.230 nan 0.000 0.496 162 Q N 3.923 123.883 119.800 0.268 0.000 2.222 162 Q HA 0.667 5.021 4.340 0.024 0.000 0.252 162 Q C -0.568 175.614 176.000 0.303 0.000 0.926 162 Q CA -0.370 55.600 55.803 0.279 0.000 0.899 162 Q CB 1.783 30.617 28.738 0.160 0.000 1.250 162 Q HN 0.845 nan 8.270 nan 0.000 0.441 163 A N 2.053 124.922 122.820 0.081 0.000 2.330 163 A HA 0.627 4.961 4.320 0.024 0.000 0.329 163 A C -0.433 177.074 177.584 -0.128 0.000 1.135 163 A CA -0.719 51.203 52.037 -0.190 0.000 0.817 163 A CB 0.915 19.418 19.000 -0.828 0.000 1.269 163 A HN 0.668 nan 8.150 nan 0.000 0.469 164 R N 0.048 120.440 120.500 -0.179 0.000 2.389 164 R HA 0.437 4.791 4.340 0.024 0.000 0.295 164 R C -1.074 175.231 176.300 0.010 0.000 1.075 164 R CA -0.127 55.930 56.100 -0.071 0.000 1.005 164 R CB 0.747 30.983 30.300 -0.107 0.000 0.987 164 R HN 0.401 nan 8.270 nan 0.000 0.452 165 V N 2.101 122.097 119.914 0.136 0.000 2.448 165 V HA 0.695 4.830 4.120 0.024 0.000 0.295 165 V C -0.162 176.081 176.094 0.248 0.000 1.025 165 V CA -0.806 61.608 62.300 0.189 0.000 0.859 165 V CB 1.548 33.422 31.823 0.086 0.000 0.988 165 V HN 0.922 nan 8.190 nan 0.000 0.431 166 A N 3.086 126.080 122.820 0.290 0.000 2.449 166 A HA 0.868 5.202 4.320 0.024 0.000 0.302 166 A C -0.351 177.294 177.584 0.101 0.000 1.048 166 A CA -0.557 51.523 52.037 0.072 0.000 0.708 166 A CB 1.988 20.814 19.000 -0.289 0.000 1.274 166 A HN 0.651 nan 8.150 nan 0.000 0.410 167 T N 1.395 115.983 114.554 0.056 0.000 2.797 167 T HA 0.501 4.865 4.350 0.024 0.000 0.279 167 T C -1.484 173.284 174.700 0.113 0.000 0.991 167 T CA 0.138 62.288 62.100 0.083 0.000 0.979 167 T CB 0.586 69.457 68.868 0.004 0.000 0.943 167 T HN 0.468 nan 8.240 nan 0.000 0.444 168 Y N 3.092 123.422 120.300 0.050 0.000 2.447 168 Y HA 0.328 4.892 4.550 0.024 0.000 0.325 168 Y C 0.409 176.309 175.900 0.000 0.000 0.976 168 Y CA -0.802 57.301 58.100 0.005 0.000 1.280 168 Y CB 0.383 38.837 38.460 -0.010 0.000 1.104 168 Y HN 0.727 nan 8.280 nan 0.000 0.486 169 K N 4.633 124.790 120.400 -0.404 0.000 3.278 169 K HA -0.281 4.053 4.320 0.024 0.000 0.270 169 K C 0.964 177.456 176.600 -0.181 0.000 0.955 169 K CA 1.052 57.144 56.287 -0.326 0.000 0.723 169 K CB -1.470 30.765 32.500 -0.440 0.000 1.382 169 K HN 1.213 nan 8.250 nan 0.000 0.461 170 G N -0.707 107.958 108.800 -0.224 0.000 2.308 170 G HA2 -0.294 3.680 3.960 0.024 0.000 0.221 170 G HA3 -0.294 3.680 3.960 0.024 0.000 0.221 170 G C 0.182 174.686 174.900 -0.661 0.000 1.032 170 G CA 0.007 44.801 45.100 -0.510 0.000 0.623 170 G HN 0.214 nan 8.290 nan 0.000 0.506 171 L N 1.655 122.748 121.223 -0.218 0.000 2.380 171 L HA 0.537 4.891 4.340 0.024 0.000 0.273 171 L C 0.352 177.207 176.870 -0.024 0.000 1.138 171 L CA -0.613 54.185 54.840 -0.070 0.000 0.832 171 L CB 1.520 43.657 42.059 0.131 0.000 1.124 171 L HN 0.020 nan 8.230 nan 0.000 0.454 172 V N 3.928 123.766 119.914 -0.126 0.000 2.357 172 V HA 0.376 4.510 4.120 0.024 0.000 0.284 172 V C -0.267 175.738 176.094 -0.149 0.000 1.018 172 V CA -0.365 61.904 62.300 -0.050 0.000 0.841 172 V CB 0.993 32.791 31.823 -0.043 0.000 0.991 172 V HN 0.368 nan 8.190 nan 0.000 0.437 173 F N 2.592 122.602 119.950 0.100 0.000 2.483 173 F HA 0.879 5.421 4.527 0.024 0.000 0.329 173 F C 0.474 176.444 175.800 0.283 0.000 1.064 173 F CA -0.505 57.613 58.000 0.196 0.000 0.986 173 F CB 2.000 41.136 39.000 0.227 0.000 1.218 173 F HN 0.553 nan 8.300 nan 0.000 0.484 174 A N 2.033 125.078 122.820 0.376 0.000 2.539 174 A HA 0.717 5.051 4.320 0.024 0.000 0.296 174 A C -1.610 175.710 177.584 -0.441 0.000 1.073 174 A CA -0.620 51.411 52.037 -0.010 0.000 0.700 174 A CB 1.916 20.785 19.000 -0.218 0.000 1.296 174 A HN 0.660 nan 8.150 nan 0.000 0.405 175 N N 0.395 118.586 118.700 -0.848 0.000 2.371 175 N HA 0.249 5.004 4.740 0.024 0.000 0.280 175 N C -0.421 174.691 175.510 -0.664 0.000 1.084 175 N CA -0.507 51.937 53.050 -1.010 0.000 0.892 175 N CB 1.233 38.591 38.487 -1.882 0.000 1.653 175 N HN 0.704 nan 8.380 nan 0.000 0.480 176 W N 0.347 121.483 121.300 -0.273 0.000 2.453 176 W HA 0.115 4.788 4.660 0.022 0.000 0.289 176 W C 0.715 177.152 176.519 -0.138 0.000 1.215 176 W CA -0.134 57.118 57.345 -0.155 0.000 1.297 176 W CB 0.209 29.617 29.460 -0.087 0.000 1.113 176 W HN 0.410 nan 8.180 nan 0.000 0.551 177 D N 0.771 121.209 120.400 0.063 0.000 2.339 177 D HA 0.009 4.663 4.640 0.024 0.000 0.256 177 D C 1.366 177.640 176.300 -0.043 0.000 1.214 177 D CA 0.083 54.118 54.000 0.059 0.000 0.877 177 D CB 1.745 42.640 40.800 0.157 0.000 1.111 177 D HN 0.020 nan 8.370 nan 0.000 0.478 178 V N 1.811 121.727 119.914 0.003 0.000 3.078 178 V HA -0.140 3.995 4.120 0.024 0.000 0.265 178 V C 1.524 177.593 176.094 -0.042 0.000 1.122 178 V CA 1.146 63.436 62.300 -0.015 0.000 1.141 178 V CB -0.489 31.341 31.823 0.012 0.000 0.735 178 V HN 0.479 nan 8.190 nan 0.000 0.498 179 Q N 0.728 120.498 119.800 -0.050 0.000 2.391 179 Q HA 0.417 4.771 4.340 0.024 0.000 0.211 179 Q C 1.349 177.110 176.000 -0.399 0.000 0.908 179 Q CA 0.537 56.288 55.803 -0.088 0.000 0.920 179 Q CB 0.362 29.152 28.738 0.087 0.000 1.056 179 Q HN 0.749 nan 8.270 nan 0.000 0.523 180 A N 3.288 125.726 122.820 -0.636 0.000 2.507 180 A HA 0.188 4.522 4.320 0.024 0.000 0.235 180 A C -2.045 175.189 177.584 -0.583 0.000 1.070 180 A CA -0.908 50.410 52.037 -1.198 0.000 0.768 180 A CB -0.373 18.191 19.000 -0.728 0.000 1.011 180 A HN 0.013 nan 8.150 nan 0.000 0.502 181 P HA 0.090 nan 4.420 nan 0.000 0.270 181 P C -0.523 176.846 177.300 0.115 0.000 1.223 181 P CA -0.295 62.699 63.100 -0.176 0.000 0.785 181 P CB 0.387 31.969 31.700 -0.196 0.000 0.923 182 D N 1.169 121.597 120.400 0.046 0.000 2.363 182 D HA -0.044 4.610 4.640 0.024 0.000 0.240 182 D C 1.310 177.435 176.300 -0.292 0.000 1.236 182 D CA -0.509 53.495 54.000 0.007 0.000 0.927 182 D CB 0.713 41.477 40.800 -0.060 0.000 1.150 182 D HN 0.086 nan 8.370 nan 0.000 0.458 183 L N 0.454 121.175 121.223 -0.835 0.000 1.989 183 L HA -0.237 4.118 4.340 0.024 0.000 0.211 183 L C 2.363 178.934 176.870 -0.497 0.000 1.071 183 L CA 1.837 56.019 54.840 -1.097 0.000 0.749 183 L CB -0.737 40.617 42.059 -1.175 0.000 0.890 183 L HN 0.396 nan 8.230 nan 0.000 0.431 184 E N -0.990 119.017 120.200 -0.322 0.000 2.130 184 E HA -0.217 4.147 4.350 0.024 0.000 0.196 184 E C 2.014 178.536 176.600 -0.129 0.000 0.998 184 E CA 1.979 58.266 56.400 -0.187 0.000 0.806 184 E CB -0.576 29.068 29.700 -0.093 0.000 0.738 184 E HN 0.586 nan 8.360 nan 0.000 0.459 185 T N 0.515 115.003 114.554 -0.110 0.000 2.770 185 T HA -0.139 4.225 4.350 0.024 0.000 0.263 185 T C 1.745 176.430 174.700 -0.025 0.000 1.039 185 T CA 1.012 63.061 62.100 -0.084 0.000 1.142 185 T CB -0.520 68.280 68.868 -0.114 0.000 0.868 185 T HN 0.226 nan 8.240 nan 0.000 0.435 186 Y N 1.642 121.888 120.300 -0.090 0.000 2.207 186 Y HA -0.087 4.477 4.550 0.023 0.000 0.287 186 Y C 1.961 178.022 175.900 0.269 0.000 1.156 186 Y CA 1.183 59.394 58.100 0.186 0.000 1.182 186 Y CB -0.361 38.202 38.460 0.171 0.000 0.979 186 Y HN 0.122 nan 8.280 nan 0.000 0.521 187 L N -0.946 120.320 121.223 0.073 0.000 2.072 187 L HA 0.058 4.412 4.340 0.024 0.000 0.205 187 L C 1.979 178.851 176.870 0.003 0.000 1.079 187 L CA 0.693 55.451 54.840 -0.136 0.000 0.752 187 L CB -1.205 40.620 42.059 -0.391 0.000 0.906 187 L HN 0.513 nan 8.230 nan 0.000 0.436 188 G N 1.377 110.195 108.800 0.030 0.000 2.574 188 G HA2 -0.411 3.563 3.960 0.024 0.000 0.286 188 G HA3 -0.411 3.563 3.960 0.024 0.000 0.286 188 G C 0.289 175.259 174.900 0.116 0.000 1.212 188 G CA 0.414 45.574 45.100 0.100 0.000 0.979 188 G HN 0.521 nan 8.290 nan 0.000 0.557 189 D N 1.174 121.704 120.400 0.218 0.000 2.338 189 D HA 0.447 5.101 4.640 0.024 0.000 0.239 189 D C 1.889 178.365 176.300 0.293 0.000 1.095 189 D CA 1.525 55.672 54.000 0.246 0.000 0.888 189 D CB -0.394 40.593 40.800 0.312 0.000 0.899 189 D HN 0.999 nan 8.370 nan 0.000 0.525 190 A N 0.461 123.463 122.820 0.303 0.000 2.081 190 A HA 0.038 4.372 4.320 0.024 0.000 0.214 190 A C 2.206 179.842 177.584 0.085 0.000 1.158 190 A CA 0.096 52.289 52.037 0.260 0.000 0.724 190 A CB -0.302 18.893 19.000 0.325 0.000 0.826 190 A HN 0.094 nan 8.150 nan 0.000 0.463 191 R N 0.055 120.549 120.500 -0.010 0.000 2.096 191 R HA -0.150 4.205 4.340 0.024 0.000 0.240 191 R C -0.755 175.550 176.300 0.009 0.000 1.139 191 R CA 2.015 58.084 56.100 -0.050 0.000 0.952 191 R CB -1.543 28.722 30.300 -0.058 0.000 0.854 191 R HN 0.361 nan 8.270 nan 0.000 0.436 192 P HA -0.200 nan 4.420 nan 0.000 0.216 192 P C 0.687 177.754 177.300 -0.389 0.000 1.157 192 P CA 1.567 64.480 63.100 -0.311 0.000 0.880 192 P CB -0.111 31.253 31.700 -0.560 0.000 0.791 193 Y N -2.108 118.052 120.300 -0.234 0.000 2.373 193 Y HA -0.010 4.555 4.550 0.024 0.000 0.293 193 Y C 2.518 178.418 175.900 0.000 0.000 1.129 193 Y CA 0.761 58.730 58.100 -0.219 0.000 1.226 193 Y CB -0.912 37.345 38.460 -0.339 0.000 1.000 193 Y HN -0.098 nan 8.280 nan 0.000 0.549 194 M N -0.428 119.295 119.600 0.205 0.000 2.156 194 M HA -0.180 4.314 4.480 0.024 0.000 0.264 194 M C 1.186 177.577 176.300 0.152 0.000 1.067 194 M CA 1.408 56.862 55.300 0.257 0.000 1.131 194 M CB -0.211 32.549 32.600 0.267 0.000 1.368 194 M HN 0.099 nan 8.290 nan 0.000 0.416 195 D N 0.213 120.683 120.400 0.116 0.000 2.309 195 D HA -0.095 4.559 4.640 0.024 0.000 0.212 195 D C 1.968 178.266 176.300 -0.002 0.000 0.968 195 D CA 0.938 54.972 54.000 0.058 0.000 0.882 195 D CB -0.253 40.575 40.800 0.047 0.000 0.918 195 D HN 0.171 nan 8.370 nan 0.000 0.503 196 V N 0.611 120.521 119.914 -0.007 0.000 2.594 196 V HA -0.201 3.934 4.120 0.024 0.000 0.253 196 V C 2.207 178.364 176.094 0.106 0.000 1.069 196 V CA 1.322 63.627 62.300 0.007 0.000 1.082 196 V CB -0.331 31.516 31.823 0.041 0.000 0.680 196 V HN 0.250 nan 8.190 nan 0.000 0.469 197 M N -1.330 118.335 119.600 0.108 0.000 2.657 197 M HA 0.180 4.674 4.480 0.024 0.000 0.262 197 M C 1.672 177.992 176.300 0.033 0.000 1.213 197 M CA 1.222 56.587 55.300 0.109 0.000 1.182 197 M CB 0.392 33.007 32.600 0.025 0.000 1.303 197 M HN 0.229 nan 8.290 nan 0.000 0.501 198 L N -0.901 120.324 121.223 0.004 0.000 2.513 198 L HA 0.138 4.492 4.340 0.024 0.000 0.222 198 L C 0.473 177.322 176.870 -0.035 0.000 1.096 198 L CA 0.302 55.134 54.840 -0.014 0.000 0.857 198 L CB 0.200 42.252 42.059 -0.012 0.000 1.026 198 L HN 0.139 nan 8.230 nan 0.000 0.469 199 D N -0.609 119.770 120.400 -0.036 0.000 2.696 199 D HA 0.115 4.769 4.640 0.024 0.000 0.269 199 D C 1.602 177.867 176.300 -0.059 0.000 1.319 199 D CA 0.036 54.004 54.000 -0.054 0.000 0.826 199 D CB 0.393 41.166 40.800 -0.045 0.000 1.086 199 D HN -0.051 nan 8.370 nan 0.000 0.481 200 R N -0.762 119.700 120.500 -0.062 0.000 2.119 200 R HA 0.105 4.459 4.340 0.024 0.000 0.222 200 R C 0.521 176.775 176.300 -0.076 0.000 1.088 200 R CA 0.918 56.960 56.100 -0.096 0.000 0.984 200 R CB 0.219 30.450 30.300 -0.114 0.000 0.884 200 R HN 0.209 nan 8.270 nan 0.000 0.447 201 T N -2.389 112.139 114.554 -0.044 0.000 2.900 201 T HA 0.282 4.646 4.350 0.024 0.000 0.295 201 T C -2.231 172.449 174.700 -0.033 0.000 1.044 201 T CA -1.969 60.112 62.100 -0.031 0.000 0.995 201 T CB 2.455 71.322 68.868 -0.001 0.000 1.072 201 T HN -0.218 nan 8.240 nan 0.000 0.473 202 P HA -0.078 nan 4.420 nan 0.000 0.218 202 P C 1.585 178.867 177.300 -0.030 0.000 1.148 202 P CA 1.166 64.244 63.100 -0.037 0.000 0.822 202 P CB -0.272 31.408 31.700 -0.033 0.000 0.784 203 A N -0.283 122.526 122.820 -0.018 0.000 1.933 203 A HA 0.279 4.613 4.320 0.024 0.000 0.218 203 A C 1.363 178.941 177.584 -0.010 0.000 1.175 203 A CA 1.658 53.688 52.037 -0.011 0.000 0.628 203 A CB -1.336 17.663 19.000 -0.002 0.000 0.814 203 A HN 0.463 nan 8.150 nan 0.000 0.444 204 G N -2.191 106.602 108.800 -0.010 0.000 2.582 204 G HA2 0.182 4.156 3.960 0.024 0.000 0.222 204 G HA3 0.182 4.156 3.960 0.024 0.000 0.222 204 G C -0.004 174.904 174.900 0.013 0.000 1.311 204 G CA 0.078 45.175 45.100 -0.004 0.000 0.915 204 G HN 1.490 nan 8.290 nan 0.000 0.528 205 T N -2.775 111.804 114.554 0.042 0.000 2.929 205 T HA 0.768 5.133 4.350 0.024 0.000 0.284 205 T C -0.262 174.421 174.700 -0.029 0.000 1.014 205 T CA -0.082 62.029 62.100 0.020 0.000 1.051 205 T CB 2.103 70.998 68.868 0.045 0.000 1.028 205 T HN 2.001 nan 8.240 nan 0.000 0.485 206 V N 0.821 120.629 119.914 -0.176 0.000 2.823 206 V HA 0.778 4.912 4.120 0.024 0.000 0.312 206 V C -0.401 175.434 176.094 -0.433 0.000 1.072 206 V CA -0.974 61.134 62.300 -0.321 0.000 0.937 206 V CB 1.736 33.467 31.823 -0.154 0.000 1.013 206 V HN 1.398 nan 8.190 nan 0.000 0.430 207 A N 6.700 129.154 122.820 -0.608 0.000 2.309 207 A HA 0.639 4.973 4.320 0.024 0.000 0.290 207 A C -0.022 177.448 177.584 -0.190 0.000 1.206 207 A CA -0.429 51.370 52.037 -0.398 0.000 0.850 207 A CB -0.063 18.537 19.000 -0.667 0.000 1.118 207 A HN 0.820 nan 8.150 nan 0.000 0.523 208 I N 2.585 123.127 120.570 -0.047 0.000 2.775 208 I HA 0.048 4.232 4.170 0.024 0.000 0.290 208 I C 1.522 177.666 176.117 0.046 0.000 1.203 208 I CA 0.293 61.598 61.300 0.008 0.000 1.433 208 I CB 0.347 38.381 38.000 0.056 0.000 1.354 208 I HN 0.769 nan 8.210 nan 0.000 0.579 209 G N 4.125 112.942 108.800 0.028 0.000 2.559 209 G HA2 0.417 4.391 3.960 0.024 0.000 0.235 209 G HA3 0.417 4.391 3.960 0.024 0.000 0.235 209 G C 0.304 175.252 174.900 0.080 0.000 1.266 209 G CA 0.356 45.485 45.100 0.048 0.000 0.847 209 G HN 1.208 nan 8.290 nan 0.000 0.583 210 G N -0.056 108.792 108.800 0.080 0.000 3.039 210 G HA2 0.194 4.168 3.960 0.024 0.000 0.686 210 G HA3 0.194 4.168 3.960 0.024 0.000 0.686 210 G C -0.480 174.488 174.900 0.113 0.000 1.066 210 G CA 0.032 45.173 45.100 0.069 0.000 0.774 210 G HN 1.283 nan 8.290 nan 0.000 0.591 211 M N 2.559 122.190 119.600 0.053 0.000 2.067 211 M HA 0.434 4.928 4.480 0.024 0.000 0.286 211 M C 0.293 176.612 176.300 0.032 0.000 0.922 211 M CA -0.694 54.654 55.300 0.079 0.000 0.937 211 M CB 0.932 33.513 32.600 -0.031 0.000 1.550 211 M HN 0.675 nan 8.290 nan 0.000 0.433 212 Q N 3.636 123.528 119.800 0.154 0.000 2.392 212 Q HA 0.284 4.639 4.340 0.024 0.000 0.262 212 Q C -1.040 175.065 176.000 0.175 0.000 1.003 212 Q CA 0.431 56.366 55.803 0.220 0.000 0.888 212 Q CB 0.881 29.865 28.738 0.411 0.000 1.260 212 Q HN 0.513 nan 8.270 nan 0.000 0.435 213 K N 2.066 122.575 120.400 0.181 0.000 2.535 213 K HA 0.511 4.845 4.320 0.024 0.000 0.250 213 K C -1.640 175.175 176.600 0.359 0.000 0.948 213 K CA -0.587 55.723 56.287 0.038 0.000 0.796 213 K CB 1.426 33.698 32.500 -0.379 0.000 1.216 213 K HN 0.651 nan 8.250 nan 0.000 0.432 214 W N 0.148 121.551 121.300 0.171 0.000 3.213 214 W HA 0.598 5.268 4.660 0.017 0.000 0.318 214 W C -1.836 174.831 176.519 0.247 0.000 1.248 214 W CA -1.065 56.390 57.345 0.183 0.000 1.187 214 W CB 0.460 30.021 29.460 0.167 0.000 1.403 214 W HN 0.086 nan 8.180 nan 0.000 0.556 215 V N 3.855 123.990 119.914 0.369 0.000 2.394 215 V HA 0.466 4.600 4.120 0.024 0.000 0.282 215 V C -0.010 176.274 176.094 0.317 0.000 1.031 215 V CA -0.803 61.652 62.300 0.259 0.000 0.881 215 V CB 0.966 32.910 31.823 0.201 0.000 0.982 215 V HN 0.536 nan 8.190 nan 0.000 0.451 216 I N 6.896 127.635 120.570 0.281 0.000 2.389 216 I HA 0.374 4.558 4.170 0.024 0.000 0.288 216 I C -2.295 173.953 176.117 0.219 0.000 0.999 216 I CA -2.074 59.415 61.300 0.315 0.000 1.129 216 I CB 2.712 40.982 38.000 0.450 0.000 1.288 216 I HN 0.424 nan 8.210 nan 0.000 0.444 217 P HA 0.106 nan 4.420 nan 0.000 0.244 217 P C -0.697 176.676 177.300 0.121 0.000 1.769 217 P CA -0.058 63.118 63.100 0.126 0.000 1.102 217 P CB -0.327 31.434 31.700 0.102 0.000 1.937 218 C N 0.475 119.846 119.300 0.118 0.000 3.285 218 C HA 0.461 4.935 4.460 0.024 0.000 0.325 218 C C -0.178 174.860 174.990 0.079 0.000 1.304 218 C CA -1.182 57.897 59.018 0.102 0.000 1.319 218 C CB 1.060 28.855 27.740 0.092 0.000 1.640 218 C HN 0.365 nan 8.230 nan 0.000 0.477 219 N N 1.655 120.427 118.700 0.120 0.000 2.441 219 N HA 0.028 4.783 4.740 0.024 0.000 0.251 219 N C 1.246 176.674 175.510 -0.138 0.000 1.242 219 N CA 0.619 53.667 53.050 -0.003 0.000 0.898 219 N CB 0.645 39.061 38.487 -0.118 0.000 1.100 219 N HN 1.008 nan 8.380 nan 0.000 0.443 220 W N 4.351 125.590 121.300 -0.102 0.000 2.425 220 W HA -0.060 4.612 4.660 0.020 0.000 0.277 220 W C 0.941 177.254 176.519 -0.343 0.000 1.231 220 W CA 0.270 57.496 57.345 -0.198 0.000 1.248 220 W CB -0.466 29.014 29.460 0.033 0.000 1.117 220 W HN 0.514 nan 8.180 nan 0.000 0.568 221 K N 0.358 120.121 120.400 -1.061 0.000 2.147 221 K HA -0.111 4.223 4.320 0.024 0.000 0.205 221 K C 1.919 178.156 176.600 -0.604 0.000 1.049 221 K CA 1.643 57.305 56.287 -1.041 0.000 0.936 221 K CB -0.608 31.211 32.500 -1.135 0.000 0.722 221 K HN 0.117 nan 8.250 nan 0.000 0.446 222 F N 0.726 120.348 119.950 -0.546 0.000 2.146 222 F HA -0.202 4.338 4.527 0.022 0.000 0.298 222 F C 2.533 177.824 175.800 -0.848 0.000 1.096 222 F CA 0.844 58.438 58.000 -0.676 0.000 1.275 222 F CB -0.210 38.219 39.000 -0.951 0.000 1.008 222 F HN 0.049 nan 8.300 nan 0.000 0.480 223 A N 0.027 122.218 122.820 -1.050 0.000 1.898 223 A HA -0.032 4.302 4.320 0.024 0.000 0.216 223 A C 2.324 179.472 177.584 -0.726 0.000 1.181 223 A CA 1.487 52.703 52.037 -1.367 0.000 0.620 223 A CB -1.165 16.485 19.000 -2.250 0.000 0.819 223 A HN 0.303 nan 8.150 nan 0.000 0.442 224 A N -0.424 122.060 122.820 -0.560 0.000 1.898 224 A HA -0.169 4.165 4.320 0.024 0.000 0.216 224 A C 2.063 179.692 177.584 0.076 0.000 1.181 224 A CA 1.710 53.722 52.037 -0.041 0.000 0.620 224 A CB -0.503 18.573 19.000 0.126 0.000 0.819 224 A HN 0.630 nan 8.150 nan 0.000 0.442 225 E N -0.534 119.629 120.200 -0.062 0.000 2.106 225 E HA -0.254 4.111 4.350 0.024 0.000 0.192 225 E C 2.187 178.841 176.600 0.091 0.000 0.984 225 E CA 1.253 57.644 56.400 -0.014 0.000 0.806 225 E CB -0.165 29.519 29.700 -0.027 0.000 0.750 225 E HN 0.766 nan 8.360 nan 0.000 0.458 226 Q N -0.654 119.220 119.800 0.122 0.000 2.124 226 Q HA -0.164 4.190 4.340 0.024 0.000 0.202 226 Q C 1.566 177.575 176.000 0.015 0.000 0.977 226 Q CA 1.441 57.297 55.803 0.089 0.000 0.850 226 Q CB -0.048 28.807 28.738 0.195 0.000 0.901 226 Q HN 0.277 nan 8.270 nan 0.000 0.429 227 F N -1.283 118.757 119.950 0.150 0.000 2.743 227 F HA -0.014 4.526 4.527 0.023 0.000 0.297 227 F C 2.225 178.210 175.800 0.308 0.000 1.131 227 F CA 0.155 58.289 58.000 0.223 0.000 1.426 227 F CB -0.209 38.993 39.000 0.336 0.000 1.116 227 F HN 0.282 nan 8.300 nan 0.000 0.583 228 C N -1.727 117.784 119.300 0.351 0.000 2.519 228 C HA 0.074 4.548 4.460 0.024 0.000 0.281 228 C C 2.633 177.803 174.990 0.301 0.000 1.331 228 C CA 1.420 60.606 59.018 0.281 0.000 1.725 228 C CB -0.612 27.221 27.740 0.155 0.000 2.079 228 C HN 0.432 nan 8.230 nan 0.000 0.496 229 S N -1.603 114.217 115.700 0.200 0.000 2.612 229 S HA 0.156 4.641 4.470 0.024 0.000 0.278 229 S C -0.178 174.467 174.600 0.075 0.000 1.082 229 S CA 0.019 58.322 58.200 0.173 0.000 1.185 229 S CB -0.345 62.908 63.200 0.088 0.000 1.077 229 S HN 0.570 nan 8.310 nan 0.000 0.585 230 D N 2.046 122.406 120.400 -0.066 0.000 2.522 230 D HA 0.271 4.925 4.640 0.024 0.000 0.218 230 D C 0.497 176.821 176.300 0.041 0.000 1.149 230 D CA -0.096 53.938 54.000 0.056 0.000 0.981 230 D CB 0.914 41.758 40.800 0.073 0.000 1.041 230 D HN 0.326 nan 8.370 nan 0.000 0.518 231 M N 3.161 122.822 119.600 0.102 0.000 2.486 231 M HA 0.061 4.556 4.480 0.024 0.000 0.264 231 M C 1.426 177.965 176.300 0.399 0.000 1.125 231 M CA 0.618 56.022 55.300 0.173 0.000 1.144 231 M CB -0.200 32.462 32.600 0.103 0.000 1.353 231 M HN 0.426 nan 8.290 nan 0.000 0.466 232 Y N 0.640 121.120 120.300 0.300 0.000 2.132 232 Y HA -0.437 4.128 4.550 0.024 0.000 0.280 232 Y C 2.606 178.507 175.900 0.003 0.000 1.193 232 Y CA 2.223 60.362 58.100 0.065 0.000 1.157 232 Y CB -0.261 38.245 38.460 0.078 0.000 0.966 232 Y HN 0.562 nan 8.280 nan 0.000 0.511 233 H N -1.222 117.855 119.070 0.011 0.000 2.389 233 H HA -0.038 4.532 4.556 0.024 0.000 0.299 233 H C 2.037 177.350 175.328 -0.026 0.000 1.081 233 H CA 1.286 57.271 56.048 -0.106 0.000 1.345 233 H CB -0.703 29.023 29.762 -0.059 0.000 1.393 233 H HN 0.397 nan 8.280 nan 0.000 0.520 234 A N 0.982 123.415 122.820 -0.646 0.000 2.016 234 A HA 0.146 4.481 4.320 0.024 0.000 0.217 234 A C 2.568 180.177 177.584 0.042 0.000 1.162 234 A CA 0.797 52.713 52.037 -0.202 0.000 0.662 234 A CB -0.733 18.214 19.000 -0.089 0.000 0.812 234 A HN 0.580 nan 8.150 nan 0.000 0.450 235 G N -1.085 107.761 108.800 0.077 0.000 3.141 235 G HA2 0.275 4.249 3.960 0.024 0.000 0.218 235 G HA3 0.275 4.249 3.960 0.024 0.000 0.218 235 G C 0.993 175.831 174.900 -0.103 0.000 1.170 235 G CA 1.360 46.533 45.100 0.120 0.000 0.769 235 G HN 0.609 nan 8.290 nan 0.000 0.546 236 T N -3.181 111.261 114.554 -0.187 0.000 3.216 236 T HA 0.135 4.499 4.350 0.024 0.000 0.167 236 T C 2.037 176.632 174.700 -0.176 0.000 0.905 236 T CA 1.402 63.364 62.100 -0.230 0.000 1.042 236 T CB 0.224 68.846 68.868 -0.410 0.000 1.787 236 T HN 0.054 nan 8.240 nan 0.000 0.355 237 T N -1.023 113.407 114.554 -0.207 0.000 2.999 237 T HA 0.182 4.546 4.350 0.024 0.000 0.247 237 T C 2.040 176.620 174.700 -0.200 0.000 1.012 237 T CA 0.845 62.838 62.100 -0.177 0.000 1.048 237 T CB -0.813 67.953 68.868 -0.170 0.000 1.020 237 T HN 0.366 nan 8.240 nan 0.000 0.478 238 T N 1.656 116.062 114.554 -0.246 0.000 2.720 238 T HA -0.110 4.255 4.350 0.024 0.000 0.268 238 T C 0.918 175.319 174.700 -0.498 0.000 1.037 238 T CA 1.303 63.177 62.100 -0.377 0.000 1.144 238 T CB -0.334 68.294 68.868 -0.400 0.000 0.864 238 T HN 0.499 nan 8.240 nan 0.000 0.444 239 H N 0.166 119.122 119.070 -0.190 0.000 2.481 239 H HA 0.398 4.968 4.556 0.023 0.000 0.273 239 H C 1.309 176.447 175.328 -0.317 0.000 1.145 239 H CA -0.278 55.565 56.048 -0.340 0.000 0.964 239 H CB -0.140 29.396 29.762 -0.375 0.000 1.722 239 H HN 0.273 nan 8.280 nan 0.000 0.573 240 L N 0.399 121.534 121.223 -0.147 0.000 2.056 240 L HA -0.154 4.200 4.340 0.024 0.000 0.207 240 L C 2.444 179.229 176.870 -0.143 0.000 1.078 240 L CA 1.589 56.355 54.840 -0.122 0.000 0.749 240 L CB -0.135 41.860 42.059 -0.106 0.000 0.901 240 L HN 0.258 nan 8.230 nan 0.000 0.433 241 S N -0.674 114.926 115.700 -0.167 0.000 2.414 241 S HA -0.037 4.447 4.470 0.024 0.000 0.227 241 S C 2.075 176.548 174.600 -0.210 0.000 1.022 241 S CA 0.616 58.722 58.200 -0.157 0.000 0.958 241 S CB -0.769 62.349 63.200 -0.137 0.000 0.797 241 S HN 0.392 nan 8.310 nan 0.000 0.493 242 G N 2.152 110.732 108.800 -0.367 0.000 2.418 242 G HA2 -0.042 3.933 3.960 0.024 0.000 0.217 242 G HA3 -0.042 3.933 3.960 0.024 0.000 0.217 242 G C 1.380 176.050 174.900 -0.383 0.000 1.158 242 G CA 0.877 45.604 45.100 -0.622 0.000 0.771 242 G HN 0.547 nan 8.290 nan 0.000 0.545 243 I N 0.158 120.556 120.570 -0.287 0.000 2.226 243 I HA -0.116 4.068 4.170 0.024 0.000 0.245 243 I C 2.639 178.726 176.117 -0.050 0.000 1.100 243 I CA 0.566 61.828 61.300 -0.064 0.000 1.374 243 I CB -0.180 37.802 38.000 -0.030 0.000 1.057 243 I HN 0.127 nan 8.210 nan 0.000 0.413 244 L N 0.594 121.770 121.223 -0.079 0.000 2.127 244 L HA -0.247 4.107 4.340 0.024 0.000 0.211 244 L C 2.674 179.516 176.870 -0.047 0.000 1.089 244 L CA 1.540 56.345 54.840 -0.058 0.000 0.757 244 L CB -0.279 41.739 42.059 -0.068 0.000 0.899 244 L HN 0.259 nan 8.230 nan 0.000 0.434 245 A N -0.754 122.032 122.820 -0.057 0.000 1.930 245 A HA -0.079 4.255 4.320 0.024 0.000 0.217 245 A C 2.240 179.817 177.584 -0.013 0.000 1.175 245 A CA 1.476 53.490 52.037 -0.037 0.000 0.627 245 A CB -1.012 17.961 19.000 -0.046 0.000 0.815 245 A HN 0.506 nan 8.150 nan 0.000 0.443 246 G N 0.291 109.091 108.800 -0.000 0.000 2.411 246 G HA2 0.232 4.206 3.960 0.024 0.000 0.213 246 G HA3 0.232 4.206 3.960 0.024 0.000 0.213 246 G C 0.758 175.653 174.900 -0.008 0.000 1.166 246 G CA 0.602 45.703 45.100 0.002 0.000 0.802 246 G HN 0.676 nan 8.290 nan 0.000 0.533 247 I N 0.808 121.373 120.570 -0.008 0.000 2.754 247 I HA 0.333 4.517 4.170 0.024 0.000 0.285 247 I C -2.067 174.045 176.117 -0.008 0.000 1.166 247 I CA -2.609 58.686 61.300 -0.008 0.000 1.417 247 I CB -0.262 37.733 38.000 -0.008 0.000 1.382 247 I HN -0.107 nan 8.210 nan 0.000 0.588 248 P HA 0.056 nan 4.420 nan 0.000 0.266 248 P C -2.145 175.151 177.300 -0.006 0.000 1.193 248 P CA -0.891 62.206 63.100 -0.004 0.000 0.770 248 P CB -0.292 31.407 31.700 -0.002 0.000 0.836 249 P HA -0.184 nan 4.420 nan 0.000 0.218 249 P C 1.135 178.430 177.300 -0.008 0.000 1.146 249 P CA 1.533 64.628 63.100 -0.009 0.000 0.813 249 P CB 0.058 31.754 31.700 -0.007 0.000 0.778 250 E N -1.392 118.805 120.200 -0.006 0.000 2.107 250 E HA -0.019 4.345 4.350 0.024 0.000 0.191 250 E C 1.016 177.612 176.600 -0.007 0.000 0.982 250 E CA 0.577 56.974 56.400 -0.006 0.000 0.809 250 E CB -0.566 29.132 29.700 -0.003 0.000 0.756 250 E HN 0.283 nan 8.360 nan 0.000 0.459 251 M N 1.872 121.467 119.600 -0.007 0.000 2.238 251 M HA 0.050 4.544 4.480 0.024 0.000 0.347 251 M C -0.344 175.948 176.300 -0.012 0.000 1.173 251 M CA -0.096 55.199 55.300 -0.008 0.000 1.147 251 M CB 0.486 33.082 32.600 -0.008 0.000 1.547 251 M HN 0.007 nan 8.290 nan 0.000 0.455 252 D N 1.187 121.579 120.400 -0.013 0.000 2.440 252 D HA 0.243 4.897 4.640 0.024 0.000 0.258 252 D C 0.689 176.978 176.300 -0.018 0.000 1.092 252 D CA -0.759 53.231 54.000 -0.017 0.000 1.016 252 D CB 0.958 41.748 40.800 -0.016 0.000 1.141 252 D HN 0.541 nan 8.370 nan 0.000 0.552 253 L N 0.114 121.323 121.223 -0.024 0.000 2.083 253 L HA -0.186 4.168 4.340 0.024 0.000 0.209 253 L C 2.021 178.879 176.870 -0.021 0.000 1.083 253 L CA 1.589 56.413 54.840 -0.027 0.000 0.752 253 L CB -0.354 41.684 42.059 -0.036 0.000 0.899 253 L HN 0.613 nan 8.230 nan 0.000 0.433 254 S N -1.537 114.152 115.700 -0.019 0.000 2.469 254 S HA -0.230 4.254 4.470 0.024 0.000 0.238 254 S C 1.640 176.235 174.600 -0.009 0.000 0.998 254 S CA 0.860 59.051 58.200 -0.015 0.000 0.957 254 S CB -0.264 62.927 63.200 -0.014 0.000 0.764 254 S HN 0.569 nan 8.310 nan 0.000 0.514 255 Q N 0.689 120.483 119.800 -0.009 0.000 2.424 255 Q HA 0.377 4.731 4.340 0.024 0.000 0.204 255 Q C 0.526 176.524 176.000 -0.004 0.000 0.933 255 Q CA 0.308 56.108 55.803 -0.005 0.000 0.929 255 Q CB 0.123 28.858 28.738 -0.005 0.000 1.037 255 Q HN 0.683 nan 8.270 nan 0.000 0.511 256 A N 1.446 124.261 122.820 -0.007 0.000 2.347 256 A HA 0.171 4.505 4.320 0.024 0.000 0.287 256 A C -0.268 177.313 177.584 -0.004 0.000 1.199 256 A CA -0.312 51.722 52.037 -0.005 0.000 0.851 256 A CB 0.327 19.322 19.000 -0.008 0.000 1.118 256 A HN 0.105 nan 8.150 nan 0.000 0.525 257 Q N 2.060 121.858 119.800 -0.003 0.000 2.300 257 Q HA 0.278 4.632 4.340 0.024 0.000 0.280 257 Q C -0.715 175.277 176.000 -0.012 0.000 1.033 257 Q CA 0.741 56.542 55.803 -0.003 0.000 0.903 257 Q CB 0.032 28.768 28.738 -0.003 0.000 1.195 257 Q HN 0.618 nan 8.270 nan 0.000 0.386 258 I N 7.644 128.213 120.570 -0.002 0.000 2.301 258 I HA 0.288 4.472 4.170 0.024 0.000 0.292 258 I C -1.819 174.291 176.117 -0.010 0.000 1.046 258 I CA -2.168 59.133 61.300 0.002 0.000 1.282 258 I CB 0.820 38.836 38.000 0.028 0.000 1.409 258 I HN 0.592 nan 8.210 nan 0.000 0.484 259 P HA 0.027 nan 4.420 nan 0.000 0.265 259 P C 0.442 177.735 177.300 -0.012 0.000 1.193 259 P CA 0.073 62.999 63.100 -0.289 0.000 0.765 259 P CB 0.947 32.035 31.700 -1.021 0.000 0.823 260 T N -0.761 113.848 114.554 0.092 0.000 3.010 260 T HA 0.142 4.506 4.350 0.024 0.000 0.252 260 T C 0.523 175.357 174.700 0.222 0.000 0.963 260 T CA -0.132 62.150 62.100 0.302 0.000 0.952 260 T CB -0.009 69.047 68.868 0.314 0.000 1.182 260 T HN 0.186 nan 8.240 nan 0.000 0.495 261 K N 1.763 122.266 120.400 0.171 0.000 2.368 261 K HA 0.597 4.931 4.320 0.024 0.000 0.282 261 K C 0.354 177.013 176.600 0.097 0.000 1.035 261 K CA 0.276 56.660 56.287 0.162 0.000 0.973 261 K CB 0.957 33.552 32.500 0.160 0.000 0.957 261 K HN 0.585 nan 8.250 nan 0.000 0.474 262 G N 1.686 110.433 108.800 -0.089 0.000 2.327 262 G HA2 0.083 4.057 3.960 0.024 0.000 0.291 262 G HA3 0.083 4.057 3.960 0.024 0.000 0.291 262 G C -1.778 172.741 174.900 -0.636 0.000 1.290 262 G CA -0.851 44.041 45.100 -0.346 0.000 0.857 262 G HN 0.532 nan 8.290 nan 0.000 0.520 263 N N -0.277 117.722 118.700 -1.168 0.000 2.416 263 N HA 0.470 5.225 4.740 0.024 0.000 0.276 263 N C -1.402 173.104 175.510 -1.674 0.000 1.261 263 N CA -0.574 51.704 53.050 -1.286 0.000 0.790 263 N CB 2.686 40.496 38.487 -1.128 0.000 1.554 263 N HN 0.651 nan 8.380 nan 0.000 0.481 264 Q N 1.122 120.316 119.800 -1.010 0.000 2.353 264 Q HA 0.426 4.780 4.340 0.024 0.000 0.268 264 Q C -1.653 174.126 176.000 -0.368 0.000 1.045 264 Q CA -0.634 54.747 55.803 -0.704 0.000 0.811 264 Q CB 1.761 30.268 28.738 -0.385 0.000 1.305 264 Q HN 0.516 nan 8.270 nan 0.000 0.447 265 F N 3.485 123.227 119.950 -0.346 0.000 2.443 265 F HA 0.533 5.074 4.527 0.023 0.000 0.335 265 F C -1.009 174.700 175.800 -0.151 0.000 1.104 265 F CA -0.745 57.137 58.000 -0.197 0.000 1.013 265 F CB 1.140 39.879 39.000 -0.435 0.000 1.136 265 F HN 0.486 nan 8.300 nan 0.000 0.470 266 R N 5.237 125.160 120.500 -0.961 0.000 2.393 266 R HA 0.722 5.076 4.340 0.024 0.000 0.315 266 R C -0.943 174.581 176.300 -1.293 0.000 0.952 266 R CA -0.799 54.756 56.100 -0.908 0.000 0.842 266 R CB 1.264 31.309 30.300 -0.424 0.000 1.163 266 R HN 0.916 nan 8.270 nan 0.000 0.450 267 A N 3.234 125.430 122.820 -1.040 0.000 2.531 267 A HA 0.264 4.599 4.320 0.024 0.000 0.236 267 A C 1.279 178.745 177.584 -0.197 0.000 1.062 267 A CA 0.617 52.398 52.037 -0.427 0.000 0.760 267 A CB 0.416 19.415 19.000 -0.002 0.000 0.995 267 A HN 1.024 nan 8.150 nan 0.000 0.501 268 A N 1.608 124.448 122.820 0.034 0.000 1.940 268 A HA 0.075 4.409 4.320 0.024 0.000 0.219 268 A C 0.612 178.274 177.584 0.131 0.000 1.176 268 A CA 1.622 53.709 52.037 0.084 0.000 0.631 268 A CB -0.229 18.866 19.000 0.158 0.000 0.814 268 A HN 1.229 nan 8.150 nan 0.000 0.446 269 W N -3.218 118.025 121.300 -0.095 0.000 3.256 269 W HA 0.451 5.126 4.660 0.024 0.000 0.324 269 W C 0.475 176.738 176.519 -0.426 0.000 1.196 269 W CA 0.191 57.428 57.345 -0.181 0.000 1.206 269 W CB 1.167 30.578 29.460 -0.082 0.000 1.385 269 W HN 0.770 nan 8.180 nan 0.000 0.522 270 G N 1.747 109.535 108.800 -1.687 0.000 2.231 270 G HA2 0.162 4.136 3.960 0.024 0.000 0.206 270 G HA3 0.162 4.136 3.960 0.024 0.000 0.206 270 G C 0.993 174.601 174.900 -2.154 0.000 0.996 270 G CA 0.540 44.171 45.100 -2.448 0.000 0.645 270 G HN 2.188 nan 8.290 nan 0.000 0.498 271 G N -0.164 107.843 108.800 -1.322 0.000 2.143 271 G HA2 -0.251 3.724 3.960 0.024 0.000 0.248 271 G HA3 -0.251 3.724 3.960 0.024 0.000 0.248 271 G C 0.304 174.926 174.900 -0.464 0.000 0.991 271 G CA 0.930 45.554 45.100 -0.793 0.000 0.689 271 G HN 1.380 nan 8.290 nan 0.000 0.522 272 H N 0.289 119.239 119.070 -0.200 0.000 2.607 272 H HA 0.595 5.165 4.556 0.023 0.000 0.367 272 H C 0.807 176.092 175.328 -0.071 0.000 1.181 272 H CA 0.571 56.603 56.048 -0.028 0.000 1.402 272 H CB 1.350 31.147 29.762 0.058 0.000 1.474 272 H HN 0.899 nan 8.280 nan 0.000 0.596 273 G N -0.584 108.312 108.800 0.159 0.000 2.702 273 G HA2 0.396 4.370 3.960 0.024 0.000 0.296 273 G HA3 0.396 4.370 3.960 0.024 0.000 0.296 273 G C -1.324 173.667 174.900 0.153 0.000 1.463 273 G CA -0.425 44.721 45.100 0.076 0.000 0.890 273 G HN 0.621 nan 8.290 nan 0.000 0.534 274 S N -1.210 114.576 115.700 0.143 0.000 2.595 274 S HA 0.925 5.410 4.470 0.024 0.000 0.281 274 S C -0.155 174.348 174.600 -0.161 0.000 1.117 274 S CA 0.088 58.289 58.200 0.002 0.000 0.873 274 S CB 1.926 65.146 63.200 0.033 0.000 1.108 274 S HN 1.813 nan 8.310 nan 0.000 0.477 275 G N 1.386 109.804 108.800 -0.637 0.000 2.667 275 G HA2 0.720 4.694 3.960 0.024 0.000 0.298 275 G HA3 0.720 4.694 3.960 0.024 0.000 0.298 275 G C -1.781 172.867 174.900 -0.421 0.000 1.377 275 G CA -0.698 43.968 45.100 -0.724 0.000 0.964 275 G HN 0.861 nan 8.290 nan 0.000 0.493 276 W N 0.643 121.616 121.300 -0.546 0.000 3.213 276 W HA 0.715 5.389 4.660 0.023 0.000 0.318 276 W C -1.917 174.328 176.519 -0.458 0.000 1.248 276 W CA -1.980 55.096 57.345 -0.449 0.000 1.187 276 W CB 0.933 30.212 29.460 -0.302 0.000 1.403 276 W HN 0.514 nan 8.180 nan 0.000 0.556 277 Y N 1.491 121.805 120.300 0.023 0.000 2.310 277 Y HA 0.535 5.099 4.550 0.023 0.000 0.326 277 Y C 0.342 176.334 175.900 0.153 0.000 1.151 277 Y CA -1.135 56.956 58.100 -0.016 0.000 1.195 277 Y CB 1.530 39.997 38.460 0.013 0.000 1.210 277 Y HN 0.199 nan 8.280 nan 0.000 0.483 278 V N 3.163 123.261 119.914 0.307 0.000 2.435 278 V HA 0.139 4.274 4.120 0.024 0.000 0.290 278 V C -0.528 175.713 176.094 0.246 0.000 1.030 278 V CA -1.140 61.357 62.300 0.330 0.000 0.881 278 V CB 1.276 33.318 31.823 0.366 0.000 0.983 278 V HN 0.889 nan 8.190 nan 0.000 0.445 279 D N 3.590 124.126 120.400 0.227 0.000 2.737 279 D HA -0.171 4.483 4.640 0.024 0.000 0.238 279 D C 0.188 176.564 176.300 0.127 0.000 1.157 279 D CA 0.878 54.976 54.000 0.164 0.000 0.694 279 D CB -0.328 40.557 40.800 0.143 0.000 1.021 279 D HN 0.838 nan 8.370 nan 0.000 0.420 280 E N -0.633 119.644 120.200 0.128 0.000 3.935 280 E HA 0.241 4.605 4.350 0.024 0.000 0.226 280 E C -1.958 174.682 176.600 0.065 0.000 1.220 280 E CA -1.226 55.210 56.400 0.060 0.000 1.226 280 E CB 0.924 30.614 29.700 -0.017 0.000 1.237 280 E HN 0.008 nan 8.360 nan 0.000 0.417 281 P HA -0.066 nan 4.420 nan 0.000 0.218 281 P C 1.395 178.729 177.300 0.057 0.000 1.149 281 P CA 1.077 64.229 63.100 0.086 0.000 0.817 281 P CB 0.340 32.092 31.700 0.086 0.000 0.785 282 G N 0.276 109.096 108.800 0.034 0.000 2.442 282 G HA2 -0.278 3.696 3.960 0.024 0.000 0.219 282 G HA3 -0.278 3.696 3.960 0.024 0.000 0.219 282 G C 1.684 176.594 174.900 0.017 0.000 1.141 282 G CA 1.343 46.454 45.100 0.019 0.000 0.763 282 G HN 0.419 nan 8.290 nan 0.000 0.554 283 S N 0.327 116.035 115.700 0.013 0.000 2.387 283 S HA 0.000 4.484 4.470 0.024 0.000 0.226 283 S C 2.228 176.888 174.600 0.100 0.000 1.026 283 S CA 1.136 59.359 58.200 0.038 0.000 0.972 283 S CB -0.309 62.877 63.200 -0.023 0.000 0.814 283 S HN 0.217 nan 8.310 nan 0.000 0.477 284 L N 0.856 122.142 121.223 0.106 0.000 2.093 284 L HA 0.231 4.585 4.340 0.024 0.000 0.208 284 L C 2.192 179.077 176.870 0.025 0.000 1.085 284 L CA 1.194 56.107 54.840 0.122 0.000 0.755 284 L CB -0.839 41.266 42.059 0.078 0.000 0.904 284 L HN 0.337 nan 8.230 nan 0.000 0.435 285 L N -0.102 121.127 121.223 0.009 0.000 2.042 285 L HA -0.134 4.220 4.340 0.024 0.000 0.210 285 L C 2.537 179.362 176.870 -0.075 0.000 1.076 285 L CA 2.067 56.889 54.840 -0.030 0.000 0.749 285 L CB -0.938 41.119 42.059 -0.003 0.000 0.893 285 L HN 0.311 nan 8.230 nan 0.000 0.432 286 A N -1.525 121.271 122.820 -0.041 0.000 1.902 286 A HA -0.126 4.208 4.320 0.024 0.000 0.217 286 A C 2.154 179.676 177.584 -0.104 0.000 1.181 286 A CA 2.035 54.047 52.037 -0.040 0.000 0.623 286 A CB -0.848 18.164 19.000 0.020 0.000 0.818 286 A HN 0.309 nan 8.150 nan 0.000 0.443 287 V N -1.240 118.574 119.914 -0.167 0.000 2.446 287 V HA -0.049 4.086 4.120 0.024 0.000 0.244 287 V C 2.171 177.951 176.094 -0.522 0.000 1.039 287 V CA 1.486 63.558 62.300 -0.381 0.000 1.045 287 V CB -0.386 31.041 31.823 -0.660 0.000 0.681 287 V HN 0.479 nan 8.190 nan 0.000 0.459 288 M N -0.674 118.644 119.600 -0.469 0.000 2.308 288 M HA 0.398 4.892 4.480 0.024 0.000 0.269 288 M C 0.978 176.832 176.300 -0.744 0.000 1.040 288 M CA 0.930 55.871 55.300 -0.599 0.000 1.024 288 M CB 0.424 32.867 32.600 -0.262 0.000 1.465 288 M HN 0.511 nan 8.290 nan 0.000 0.517 289 G N 1.928 110.420 108.800 -0.513 0.000 2.756 289 G HA2 -0.156 3.819 3.960 0.024 0.000 0.678 289 G HA3 -0.156 3.819 3.960 0.024 0.000 0.678 289 G C -2.287 172.548 174.900 -0.109 0.000 1.349 289 G CA -0.532 44.398 45.100 -0.285 0.000 0.847 289 G HN 0.094 nan 8.290 nan 0.000 0.548 290 P HA -0.065 nan 4.420 nan 0.000 0.217 290 P C 1.573 178.893 177.300 0.033 0.000 1.150 290 P CA 1.638 64.743 63.100 0.008 0.000 0.832 290 P CB 0.045 31.757 31.700 0.019 0.000 0.787 291 K N -0.211 120.208 120.400 0.031 0.000 2.031 291 K HA -0.033 4.301 4.320 0.024 0.000 0.205 291 K C 2.186 178.834 176.600 0.081 0.000 1.049 291 K CA 0.911 57.230 56.287 0.054 0.000 0.939 291 K CB -1.273 31.250 32.500 0.038 0.000 0.717 291 K HN -0.078 nan 8.250 nan 0.000 0.438 292 V N 1.054 120.971 119.914 0.004 0.000 2.343 292 V HA -0.261 3.873 4.120 0.024 0.000 0.247 292 V C 1.888 178.088 176.094 0.177 0.000 1.051 292 V CA 2.268 64.568 62.300 -0.001 0.000 1.036 292 V CB -0.760 30.880 31.823 -0.305 0.000 0.654 292 V HN 0.406 nan 8.190 nan 0.000 0.451 293 T N -0.658 113.958 114.554 0.104 0.000 2.788 293 T HA -0.286 4.079 4.350 0.024 0.000 0.268 293 T C 1.906 176.727 174.700 0.201 0.000 1.044 293 T CA 1.830 64.020 62.100 0.151 0.000 1.139 293 T CB -0.230 68.686 68.868 0.080 0.000 0.867 293 T HN 0.434 nan 8.240 nan 0.000 0.454 294 Q N 0.253 120.156 119.800 0.172 0.000 2.046 294 Q HA -0.097 4.257 4.340 0.024 0.000 0.200 294 Q C 1.954 178.083 176.000 0.214 0.000 0.975 294 Q CA 1.449 57.350 55.803 0.164 0.000 0.836 294 Q CB -0.636 28.180 28.738 0.131 0.000 0.896 294 Q HN 0.670 nan 8.270 nan 0.000 0.428 295 Y N -0.821 119.568 120.300 0.148 0.000 2.224 295 Y HA -0.226 4.338 4.550 0.024 0.000 0.289 295 Y C 1.862 177.896 175.900 0.223 0.000 1.146 295 Y CA 1.917 60.122 58.100 0.175 0.000 1.182 295 Y CB -0.317 38.269 38.460 0.209 0.000 0.983 295 Y HN 0.397 nan 8.280 nan 0.000 0.524 296 W N 0.680 122.034 121.300 0.090 0.000 2.576 296 W HA -0.090 4.585 4.660 0.025 0.000 0.270 296 W C 1.640 178.146 176.519 -0.021 0.000 1.255 296 W CA 2.179 59.538 57.345 0.023 0.000 1.314 296 W CB -0.117 29.433 29.460 0.150 0.000 1.101 296 W HN 0.303 nan 8.180 nan 0.000 0.595 297 T N -2.856 111.793 114.554 0.159 0.000 2.999 297 T HA 0.150 4.515 4.350 0.024 0.000 0.247 297 T C 0.346 175.054 174.700 0.012 0.000 1.012 297 T CA 0.103 62.255 62.100 0.086 0.000 1.048 297 T CB 0.457 69.432 68.868 0.179 0.000 1.020 297 T HN -0.195 nan 8.240 nan 0.000 0.478 298 E N 0.879 121.092 120.200 0.021 0.000 2.277 298 E HA 0.600 4.964 4.350 0.024 0.000 0.266 298 E C 0.267 176.858 176.600 -0.015 0.000 0.901 298 E CA -0.346 56.059 56.400 0.008 0.000 0.782 298 E CB 1.958 31.681 29.700 0.039 0.000 1.228 298 E HN 0.585 nan 8.360 nan 0.000 0.424 299 G N 2.182 110.970 108.800 -0.021 0.000 2.631 299 G HA2 -0.175 3.799 3.960 0.024 0.000 0.504 299 G HA3 -0.175 3.799 3.960 0.024 0.000 0.504 299 G C -2.299 172.570 174.900 -0.052 0.000 1.306 299 G CA -0.531 44.558 45.100 -0.020 0.000 0.897 299 G HN 0.394 nan 8.290 nan 0.000 0.520 300 P HA 0.052 nan 4.420 nan 0.000 0.216 300 P C 2.217 179.466 177.300 -0.086 0.000 1.153 300 P CA 2.970 66.043 63.100 -0.046 0.000 0.848 300 P CB -0.084 31.607 31.700 -0.014 0.000 0.787 301 A N -0.125 122.624 122.820 -0.117 0.000 1.969 301 A HA 0.003 4.337 4.320 0.024 0.000 0.218 301 A C 2.290 179.689 177.584 -0.309 0.000 1.169 301 A CA 1.783 53.698 52.037 -0.203 0.000 0.635 301 A CB -1.484 17.356 19.000 -0.266 0.000 0.810 301 A HN 0.191 nan 8.150 nan 0.000 0.445 302 A N -0.248 122.380 122.820 -0.320 0.000 1.968 302 A HA -0.079 4.256 4.320 0.024 0.000 0.217 302 A C 1.871 179.308 177.584 -0.245 0.000 1.169 302 A CA 1.448 53.282 52.037 -0.337 0.000 0.638 302 A CB -0.345 18.495 19.000 -0.267 0.000 0.812 302 A HN 0.611 nan 8.150 nan 0.000 0.446 303 E N -0.872 119.226 120.200 -0.169 0.000 2.158 303 E HA -0.072 4.292 4.350 0.024 0.000 0.191 303 E C 1.800 178.327 176.600 -0.121 0.000 0.982 303 E CA 0.710 57.035 56.400 -0.125 0.000 0.823 303 E CB -0.108 29.541 29.700 -0.085 0.000 0.766 303 E HN 0.483 nan 8.360 nan 0.000 0.468 304 L N 0.736 121.883 121.223 -0.127 0.000 2.156 304 L HA -0.025 4.330 4.340 0.024 0.000 0.208 304 L C 2.115 178.909 176.870 -0.128 0.000 1.095 304 L CA 1.511 56.286 54.840 -0.108 0.000 0.770 304 L CB -0.331 41.673 42.059 -0.092 0.000 0.914 304 L HN 0.011 nan 8.230 nan 0.000 0.439 305 A N -1.116 121.594 122.820 -0.183 0.000 1.930 305 A HA -0.210 4.124 4.320 0.024 0.000 0.217 305 A C 2.310 179.782 177.584 -0.187 0.000 1.175 305 A CA 1.625 53.536 52.037 -0.211 0.000 0.627 305 A CB -0.529 18.269 19.000 -0.335 0.000 0.815 305 A HN 0.558 nan 8.150 nan 0.000 0.443 306 E N -0.635 119.457 120.200 -0.180 0.000 2.158 306 E HA -0.153 4.211 4.350 0.024 0.000 0.191 306 E C 2.091 178.627 176.600 -0.106 0.000 0.982 306 E CA 0.791 57.102 56.400 -0.149 0.000 0.823 306 E CB -0.030 29.588 29.700 -0.137 0.000 0.766 306 E HN 0.752 nan 8.360 nan 0.000 0.468 307 Q N -0.333 119.413 119.800 -0.090 0.000 2.187 307 Q HA -0.029 4.325 4.340 0.024 0.000 0.199 307 Q C 2.021 177.998 176.000 -0.037 0.000 0.957 307 Q CA 0.779 56.546 55.803 -0.060 0.000 0.857 307 Q CB 0.186 28.890 28.738 -0.057 0.000 0.929 307 Q HN 0.097 nan 8.270 nan 0.000 0.453 308 R N -0.197 120.276 120.500 -0.044 0.000 2.119 308 R HA 0.039 4.393 4.340 0.024 0.000 0.222 308 R C 1.033 177.377 176.300 0.074 0.000 1.088 308 R CA 0.646 56.742 56.100 -0.007 0.000 0.984 308 R CB 0.207 30.484 30.300 -0.039 0.000 0.884 308 R HN 0.153 nan 8.270 nan 0.000 0.447 309 L N -0.065 121.146 121.223 -0.020 0.000 2.791 309 L HA 0.219 4.573 4.340 0.024 0.000 0.239 309 L C 1.616 178.371 176.870 -0.192 0.000 1.203 309 L CA -0.264 54.506 54.840 -0.118 0.000 1.002 309 L CB 0.970 42.919 42.059 -0.183 0.000 1.295 309 L HN 0.196 nan 8.230 nan 0.000 0.504 310 G N -0.840 107.920 108.800 -0.066 0.000 2.511 310 G HA2 -0.214 3.760 3.960 0.024 0.000 0.217 310 G HA3 -0.214 3.760 3.960 0.024 0.000 0.217 310 G C 1.475 176.331 174.900 -0.074 0.000 1.133 310 G CA 0.441 45.496 45.100 -0.076 0.000 0.792 310 G HN 0.625 nan 8.290 nan 0.000 0.539 311 H N 0.796 119.819 119.070 -0.078 0.000 2.521 311 H HA -0.057 4.514 4.556 0.024 0.000 0.286 311 H C 2.011 177.294 175.328 -0.075 0.000 1.034 311 H CA 1.686 57.694 56.048 -0.067 0.000 1.278 311 H CB -0.715 29.011 29.762 -0.060 0.000 1.386 311 H HN 0.414 nan 8.280 nan 0.000 0.567 312 T N -3.817 110.381 114.554 -0.594 0.000 3.044 312 T HA 0.302 4.666 4.350 0.024 0.000 0.255 312 T C 1.871 176.417 174.700 -0.256 0.000 1.073 312 T CA 0.934 62.774 62.100 -0.433 0.000 1.125 312 T CB -0.190 68.352 68.868 -0.542 0.000 0.908 312 T HN 0.562 nan 8.240 nan 0.000 0.480 313 G N 1.538 110.202 108.800 -0.227 0.000 2.175 313 G HA2 -0.224 3.750 3.960 0.024 0.000 0.244 313 G HA3 -0.224 3.750 3.960 0.024 0.000 0.244 313 G C 0.082 174.866 174.900 -0.193 0.000 0.982 313 G CA 0.129 45.128 45.100 -0.170 0.000 0.641 313 G HN 0.578 nan 8.290 nan 0.000 0.527 314 M N 1.737 121.208 119.600 -0.215 0.000 2.228 314 M HA 0.329 4.823 4.480 0.024 0.000 0.351 314 M C -2.038 174.184 176.300 -0.130 0.000 1.233 314 M CA -1.230 53.961 55.300 -0.182 0.000 1.129 314 M CB 0.593 33.102 32.600 -0.151 0.000 1.604 314 M HN -0.035 nan 8.290 nan 0.000 0.457 315 P HA 0.105 nan 4.420 nan 0.000 0.251 315 P C 0.785 178.099 177.300 0.022 0.000 1.718 315 P CA -0.340 62.743 63.100 -0.027 0.000 1.119 315 P CB -0.200 31.502 31.700 0.002 0.000 1.762 316 V N 1.705 121.582 119.914 -0.062 0.000 2.594 316 V HA -0.186 3.948 4.120 0.024 0.000 0.253 316 V C 1.885 177.941 176.094 -0.064 0.000 1.069 316 V CA 1.129 63.378 62.300 -0.085 0.000 1.082 316 V CB -1.219 30.467 31.823 -0.229 0.000 0.680 316 V HN 0.227 nan 8.190 nan 0.000 0.469 317 R N 0.272 120.720 120.500 -0.086 0.000 2.280 317 R HA 0.099 4.453 4.340 0.024 0.000 0.207 317 R C 2.212 178.601 176.300 0.147 0.000 1.043 317 R CA 1.002 57.074 56.100 -0.046 0.000 1.006 317 R CB -0.176 30.083 30.300 -0.068 0.000 0.885 317 R HN 0.541 nan 8.270 nan 0.000 0.467 318 R N -0.566 120.041 120.500 0.179 0.000 2.335 318 R HA 0.228 4.582 4.340 0.024 0.000 0.210 318 R C 0.277 176.765 176.300 0.313 0.000 0.892 318 R CA 0.035 56.276 56.100 0.235 0.000 1.048 318 R CB 0.457 30.884 30.300 0.213 0.000 1.067 318 R HN 0.034 nan 8.270 nan 0.000 0.524 319 M N 2.336 122.136 119.600 0.334 0.000 2.201 319 M HA 0.158 4.652 4.480 0.024 0.000 0.345 319 M C -0.427 176.078 176.300 0.343 0.000 1.352 319 M CA -0.369 55.122 55.300 0.318 0.000 1.218 319 M CB 1.068 33.733 32.600 0.109 0.000 1.512 319 M HN -0.127 nan 8.290 nan 0.000 0.447 320 V N -0.096 119.970 119.914 0.253 0.000 3.019 320 V HA 0.965 5.099 4.120 0.024 0.000 0.317 320 V C 0.783 176.909 176.094 0.053 0.000 1.094 320 V CA -0.321 62.025 62.300 0.077 0.000 1.000 320 V CB 1.338 33.233 31.823 0.118 0.000 1.060 320 V HN 0.989 nan 8.190 nan 0.000 0.443 321 G N 0.530 109.235 108.800 -0.158 0.000 2.283 321 G HA2 -0.287 3.687 3.960 0.024 0.000 0.280 321 G HA3 -0.287 3.687 3.960 0.024 0.000 0.280 321 G C 0.204 174.978 174.900 -0.211 0.000 1.029 321 G CA 0.953 45.962 45.100 -0.152 0.000 0.840 321 G HN 1.219 nan 8.290 nan 0.000 0.505 322 Q N 0.035 119.656 119.800 -0.298 0.000 2.352 322 Q HA 0.446 4.800 4.340 0.024 0.000 0.260 322 Q C 0.622 176.571 176.000 -0.085 0.000 0.976 322 Q CA -0.070 55.651 55.803 -0.136 0.000 0.881 322 Q CB 0.322 29.027 28.738 -0.056 0.000 1.235 322 Q HN 0.862 nan 8.270 nan 0.000 0.419 323 H N 1.861 120.937 119.070 0.010 0.000 2.747 323 H HA 0.760 5.331 4.556 0.024 0.000 0.371 323 H C -1.118 174.272 175.328 0.103 0.000 1.161 323 H CA -1.075 55.017 56.048 0.073 0.000 1.167 323 H CB 1.512 31.291 29.762 0.028 0.000 1.732 323 H HN 0.608 nan 8.280 nan 0.000 0.544 324 M N 1.501 121.215 119.600 0.189 0.000 2.534 324 M HA 0.462 4.956 4.480 0.024 0.000 0.280 324 M C -1.822 174.404 176.300 -0.123 0.000 1.217 324 M CA -0.260 55.017 55.300 -0.038 0.000 0.893 324 M CB 2.639 35.097 32.600 -0.236 0.000 1.730 324 M HN 0.900 nan 8.290 nan 0.000 0.483 325 T N 4.120 118.661 114.554 -0.021 0.000 2.921 325 T HA 0.554 4.918 4.350 0.024 0.000 0.297 325 T C -0.903 173.877 174.700 0.132 0.000 1.013 325 T CA -0.552 61.581 62.100 0.054 0.000 0.990 325 T CB 1.331 70.345 68.868 0.243 0.000 1.023 325 T HN 0.419 nan 8.240 nan 0.000 0.447 326 I N 3.653 124.321 120.570 0.162 0.000 2.291 326 I HA 0.288 4.472 4.170 0.024 0.000 0.290 326 I C 0.244 176.673 176.117 0.519 0.000 1.050 326 I CA -0.989 60.526 61.300 0.358 0.000 1.245 326 I CB -0.068 38.109 38.000 0.294 0.000 1.405 326 I HN 0.657 nan 8.210 nan 0.000 0.478 327 F N 10.258 130.517 119.950 0.515 0.000 2.629 327 F HA 0.073 4.615 4.527 0.025 0.000 0.377 327 F C -1.340 174.706 175.800 0.409 0.000 1.101 327 F CA -0.418 57.775 58.000 0.321 0.000 1.301 327 F CB 0.619 39.651 39.000 0.052 0.000 1.062 327 F HN 0.384 nan 8.300 nan 0.000 0.583 328 P HA 0.005 nan 4.420 nan 0.000 0.214 328 P C 0.451 177.639 177.300 -0.187 0.000 1.152 328 P CA 1.419 63.890 63.100 -1.047 0.000 0.874 328 P CB 0.084 30.860 31.700 -1.541 0.000 0.782 329 T N -4.136 110.394 114.554 -0.040 0.000 3.266 329 T HA 0.283 4.647 4.350 0.024 0.000 0.278 329 T C 0.038 174.827 174.700 0.149 0.000 1.010 329 T CA -0.525 61.725 62.100 0.251 0.000 0.909 329 T CB -1.526 67.455 68.868 0.190 0.000 1.122 329 T HN 0.038 nan 8.240 nan 0.000 0.536 330 C N 2.076 121.476 119.300 0.167 0.000 2.264 330 C HA 0.800 5.274 4.460 0.024 0.000 0.324 330 C C -0.208 174.819 174.990 0.061 0.000 1.267 330 C CA -0.107 58.975 59.018 0.107 0.000 1.618 330 C CB -0.556 27.380 27.740 0.327 0.000 2.278 330 C HN 0.592 nan 8.230 nan 0.000 0.499 331 S N 4.537 120.157 115.700 -0.133 0.000 2.548 331 S HA 0.938 5.422 4.470 0.024 0.000 0.286 331 S C -1.005 173.490 174.600 -0.176 0.000 1.098 331 S CA -0.371 57.705 58.200 -0.206 0.000 0.930 331 S CB 1.303 64.389 63.200 -0.189 0.000 1.070 331 S HN 0.797 nan 8.310 nan 0.000 0.480 332 F N -0.366 119.625 119.950 0.070 0.000 2.686 332 F HA 0.700 5.241 4.527 0.023 0.000 0.311 332 F C -1.698 174.241 175.800 0.231 0.000 1.128 332 F CA -1.430 56.608 58.000 0.064 0.000 0.946 332 F CB 0.899 39.902 39.000 0.006 0.000 1.336 332 F HN 0.269 nan 8.300 nan 0.000 0.457 333 L N 2.089 123.544 121.223 0.386 0.000 2.387 333 L HA 0.405 4.759 4.340 0.024 0.000 0.259 333 L C -2.097 174.838 176.870 0.108 0.000 1.050 333 L CA -1.551 53.413 54.840 0.207 0.000 0.922 333 L CB 1.254 43.405 42.059 0.153 0.000 1.280 333 L HN 0.395 nan 8.230 nan 0.000 0.449 334 P HA -0.141 nan 4.420 nan 0.000 0.216 334 P C 1.341 178.617 177.300 -0.040 0.000 1.150 334 P CA 1.335 64.520 63.100 0.143 0.000 0.843 334 P CB 0.213 32.050 31.700 0.229 0.000 0.787 335 T N -1.910 112.413 114.554 -0.384 0.000 2.951 335 T HA -0.001 4.363 4.350 0.024 0.000 0.268 335 T C 1.285 175.701 174.700 -0.473 0.000 1.073 335 T CA 1.015 62.564 62.100 -0.918 0.000 1.134 335 T CB -0.766 67.465 68.868 -1.062 0.000 0.884 335 T HN 0.171 nan 8.240 nan 0.000 0.479 336 F N 0.987 120.905 119.950 -0.054 0.000 2.754 336 F HA 0.248 4.789 4.527 0.024 0.000 0.297 336 F C 1.037 176.984 175.800 0.244 0.000 1.122 336 F CA -0.672 57.410 58.000 0.137 0.000 1.400 336 F CB -0.127 38.929 39.000 0.093 0.000 1.117 336 F HN -0.002 nan 8.300 nan 0.000 0.587 337 N N 0.673 119.510 118.700 0.229 0.000 2.828 337 N HA -0.261 4.493 4.740 0.024 0.000 0.248 337 N C -0.304 175.254 175.510 0.081 0.000 1.044 337 N CA 0.545 53.642 53.050 0.078 0.000 0.851 337 N CB -1.864 36.541 38.487 -0.137 0.000 1.136 337 N HN 0.385 nan 8.380 nan 0.000 0.572 338 N N 0.815 119.602 118.700 0.145 0.000 2.458 338 N HA 0.321 5.076 4.740 0.024 0.000 0.270 338 N C -0.602 174.904 175.510 -0.006 0.000 1.102 338 N CA -0.125 52.969 53.050 0.073 0.000 0.967 338 N CB 0.628 39.142 38.487 0.046 0.000 1.078 338 N HN 0.277 nan 8.380 nan 0.000 0.471 339 I N 3.094 123.539 120.570 -0.207 0.000 2.545 339 I HA 0.495 4.680 4.170 0.024 0.000 0.292 339 I C -1.197 174.615 176.117 -0.510 0.000 1.040 339 I CA -0.665 60.431 61.300 -0.340 0.000 1.068 339 I CB 1.406 39.085 38.000 -0.534 0.000 1.251 339 I HN 0.570 nan 8.210 nan 0.000 0.424 340 R N 6.555 126.777 120.500 -0.462 0.000 2.626 340 R HA 0.744 5.098 4.340 0.024 0.000 0.274 340 R C -1.891 173.932 176.300 -0.795 0.000 1.031 340 R CA -0.911 54.822 56.100 -0.612 0.000 0.898 340 R CB 1.341 31.181 30.300 -0.766 0.000 1.222 340 R HN 0.572 nan 8.270 nan 0.000 0.455 341 I N 1.237 121.398 120.570 -0.682 0.000 2.404 341 I HA 0.412 4.596 4.170 0.024 0.000 0.293 341 I C -0.879 174.726 176.117 -0.852 0.000 0.992 341 I CA -0.746 60.127 61.300 -0.711 0.000 1.149 341 I CB 1.370 39.094 38.000 -0.460 0.000 1.315 341 I HN 0.505 nan 8.210 nan 0.000 0.446 342 W N 4.563 125.654 121.300 -0.348 0.000 2.335 342 W HA 0.423 5.095 4.660 0.021 0.000 0.307 342 W C -0.090 176.165 176.519 -0.439 0.000 1.117 342 W CA -0.581 56.592 57.345 -0.287 0.000 1.228 342 W CB 0.386 29.802 29.460 -0.074 0.000 1.240 342 W HN 0.324 nan 8.180 nan 0.000 0.468 343 H N 4.332 123.368 119.070 -0.057 0.000 2.556 343 H HA 0.222 4.791 4.556 0.023 0.000 0.310 343 H C -2.076 173.149 175.328 -0.171 0.000 1.057 343 H CA -2.126 53.771 56.048 -0.252 0.000 1.264 343 H CB 0.994 30.459 29.762 -0.495 0.000 1.404 343 H HN 0.074 nan 8.280 nan 0.000 0.462 344 P HA 0.077 nan 4.420 nan 0.000 0.268 344 P C 0.091 177.388 177.300 -0.005 0.000 1.204 344 P CA -0.337 62.736 63.100 -0.045 0.000 0.768 344 P CB 1.082 32.594 31.700 -0.313 0.000 0.842 345 R N 2.329 122.840 120.500 0.018 0.000 2.674 345 R HA 0.478 4.833 4.340 0.024 0.000 0.270 345 R C 0.618 176.797 176.300 -0.203 0.000 1.492 345 R CA -0.227 55.839 56.100 -0.058 0.000 1.624 345 R CB 0.370 30.645 30.300 -0.042 0.000 1.307 345 R HN 0.920 nan 8.270 nan 0.000 0.683 346 G N 2.257 110.704 108.800 -0.588 0.000 2.796 346 G HA2 -0.211 3.764 3.960 0.024 0.000 0.571 346 G HA3 -0.211 3.764 3.960 0.024 0.000 0.571 346 G C -1.946 172.430 174.900 -0.873 0.000 1.370 346 G CA -0.639 43.810 45.100 -1.084 0.000 0.856 346 G HN 0.139 nan 8.290 nan 0.000 0.538 347 P HA 0.014 nan 4.420 nan 0.000 0.229 347 P C 0.777 178.061 177.300 -0.027 0.000 1.160 347 P CA 1.074 64.102 63.100 -0.121 0.000 0.777 347 P CB 0.080 31.772 31.700 -0.012 0.000 0.814 348 N N -0.083 118.582 118.700 -0.058 0.000 2.238 348 N HA 0.113 4.868 4.740 0.024 0.000 0.222 348 N C 0.019 175.544 175.510 0.025 0.000 1.133 348 N CA 0.193 53.248 53.050 0.009 0.000 0.854 348 N CB 1.282 39.775 38.487 0.010 0.000 1.041 348 N HN 0.343 nan 8.380 nan 0.000 0.510 349 E N 0.995 121.205 120.200 0.018 0.000 2.378 349 E HA 0.367 4.731 4.350 0.024 0.000 0.283 349 E C -1.484 175.161 176.600 0.076 0.000 0.979 349 E CA -0.589 55.840 56.400 0.049 0.000 0.795 349 E CB 2.058 31.773 29.700 0.024 0.000 1.221 349 E HN 0.135 nan 8.360 nan 0.000 0.428 350 I N -0.876 119.761 120.570 0.111 0.000 2.934 350 I HA 0.615 4.799 4.170 0.024 0.000 0.306 350 I C -0.744 175.457 176.117 0.141 0.000 1.110 350 I CA -0.888 60.493 61.300 0.135 0.000 1.019 350 I CB 2.252 40.356 38.000 0.174 0.000 1.227 350 I HN 0.341 nan 8.210 nan 0.000 0.434 351 E N 2.617 122.901 120.200 0.140 0.000 2.179 351 E HA 0.549 4.913 4.350 0.024 0.000 0.275 351 E C -1.321 175.379 176.600 0.168 0.000 0.945 351 E CA -0.967 55.543 56.400 0.184 0.000 0.792 351 E CB 2.809 32.664 29.700 0.259 0.000 1.125 351 E HN 0.448 nan 8.360 nan 0.000 0.397 352 V N 3.355 123.271 119.914 0.003 0.000 2.334 352 V HA 0.224 4.358 4.120 0.024 0.000 0.281 352 V C -1.081 174.938 176.094 -0.124 0.000 1.016 352 V CA -0.823 61.314 62.300 -0.271 0.000 0.832 352 V CB 0.238 31.512 31.823 -0.915 0.000 0.999 352 V HN 0.605 nan 8.190 nan 0.000 0.439 353 W N 3.671 124.785 121.300 -0.310 0.000 2.294 353 W HA 0.778 5.449 4.660 0.018 0.000 0.314 353 W C 0.157 176.604 176.519 -0.119 0.000 1.044 353 W CA -0.994 56.288 57.345 -0.106 0.000 1.284 353 W CB 1.575 31.082 29.460 0.078 0.000 1.231 353 W HN 0.617 nan 8.180 nan 0.000 0.419 354 A N 5.361 128.282 122.820 0.168 0.000 2.343 354 A HA 0.931 5.265 4.320 0.024 0.000 0.316 354 A C -1.266 176.501 177.584 0.304 0.000 1.104 354 A CA -0.530 51.596 52.037 0.148 0.000 0.768 354 A CB 0.786 19.916 19.000 0.217 0.000 1.213 354 A HN 0.539 nan 8.150 nan 0.000 0.456 355 F N 0.100 120.128 119.950 0.129 0.000 2.675 355 F HA 0.915 5.456 4.527 0.022 0.000 0.324 355 F C -0.001 175.878 175.800 0.132 0.000 1.106 355 F CA -0.468 57.621 58.000 0.148 0.000 0.970 355 F CB 1.593 40.713 39.000 0.200 0.000 1.385 355 F HN 0.589 nan 8.300 nan 0.000 0.489 356 T N -0.341 114.371 114.554 0.263 0.000 2.907 356 T HA 0.762 5.126 4.350 0.024 0.000 0.292 356 T C -1.096 173.674 174.700 0.116 0.000 1.043 356 T CA -0.823 61.345 62.100 0.114 0.000 1.003 356 T CB 1.751 70.707 68.868 0.147 0.000 1.084 356 T HN 0.811 nan 8.240 nan 0.000 0.483 357 L N 1.588 122.811 121.223 0.001 0.000 2.322 357 L HA 0.913 5.267 4.340 0.024 0.000 0.269 357 L C -0.477 176.295 176.870 -0.163 0.000 1.012 357 L CA -1.437 53.359 54.840 -0.073 0.000 0.815 357 L CB 2.051 44.066 42.059 -0.072 0.000 1.295 357 L HN 0.788 nan 8.230 nan 0.000 0.438 358 V N -2.903 116.910 119.914 -0.169 0.000 3.087 358 V HA 0.423 4.558 4.120 0.024 0.000 0.306 358 V C -1.103 174.927 176.094 -0.108 0.000 1.187 358 V CA -1.116 61.062 62.300 -0.202 0.000 0.999 358 V CB 1.981 33.720 31.823 -0.139 0.000 1.049 358 V HN 0.558 nan 8.190 nan 0.000 0.431 359 D N 2.123 122.493 120.400 -0.051 0.000 2.450 359 D HA 0.305 4.959 4.640 0.024 0.000 0.247 359 D C 1.291 177.593 176.300 0.003 0.000 1.162 359 D CA 0.831 54.843 54.000 0.020 0.000 0.879 359 D CB 1.964 42.840 40.800 0.127 0.000 1.163 359 D HN 0.946 nan 8.370 nan 0.000 0.472 360 A N 3.469 126.287 122.820 -0.004 0.000 1.978 360 A HA -0.211 4.124 4.320 0.024 0.000 0.220 360 A C 1.370 178.957 177.584 0.004 0.000 1.170 360 A CA 1.526 53.556 52.037 -0.011 0.000 0.636 360 A CB -0.074 18.920 19.000 -0.010 0.000 0.810 360 A HN 0.616 nan 8.150 nan 0.000 0.448 361 D N -0.686 119.728 120.400 0.024 0.000 2.388 361 D HA 0.415 5.070 4.640 0.024 0.000 0.221 361 D C 0.433 176.770 176.300 0.062 0.000 1.133 361 D CA 0.374 54.395 54.000 0.035 0.000 0.831 361 D CB -0.522 40.298 40.800 0.033 0.000 0.962 361 D HN 0.336 nan 8.370 nan 0.000 0.502 362 A N 1.319 124.176 122.820 0.062 0.000 2.407 362 A HA 0.477 4.811 4.320 0.024 0.000 0.248 362 A C -2.270 175.319 177.584 0.007 0.000 1.082 362 A CA -1.039 51.032 52.037 0.057 0.000 0.785 362 A CB -0.111 18.869 19.000 -0.033 0.000 1.020 362 A HN 0.042 nan 8.150 nan 0.000 0.489 363 P HA 0.139 nan 4.420 nan 0.000 0.266 363 P C 0.841 178.131 177.300 -0.017 0.000 1.195 363 P CA 0.690 63.793 63.100 0.005 0.000 0.768 363 P CB 0.684 32.395 31.700 0.019 0.000 0.838 364 A N 3.235 126.053 122.820 -0.003 0.000 1.986 364 A HA -0.250 4.084 4.320 0.024 0.000 0.220 364 A C 1.834 179.416 177.584 -0.004 0.000 1.171 364 A CA 1.789 53.825 52.037 -0.003 0.000 0.640 364 A CB -0.972 18.028 19.000 0.001 0.000 0.811 364 A HN 0.548 nan 8.150 nan 0.000 0.451 365 E N -0.145 120.052 120.200 -0.005 0.000 2.110 365 E HA -0.124 4.240 4.350 0.024 0.000 0.193 365 E C 1.797 178.388 176.600 -0.015 0.000 0.988 365 E CA 1.051 57.448 56.400 -0.004 0.000 0.804 365 E CB -0.188 29.514 29.700 0.004 0.000 0.745 365 E HN 0.581 nan 8.360 nan 0.000 0.458 366 I N 0.839 121.381 120.570 -0.046 0.000 2.333 366 I HA -0.156 4.028 4.170 0.024 0.000 0.246 366 I C 1.849 177.993 176.117 0.046 0.000 1.106 366 I CA 1.167 62.415 61.300 -0.087 0.000 1.411 366 I CB -0.832 36.955 38.000 -0.356 0.000 1.082 366 I HN 0.091 nan 8.210 nan 0.000 0.420 367 K N 0.561 120.981 120.400 0.033 0.000 2.063 367 K HA -0.257 4.077 4.320 0.024 0.000 0.208 367 K C 2.029 178.687 176.600 0.097 0.000 1.048 367 K CA 1.736 58.070 56.287 0.080 0.000 0.928 367 K CB -0.115 32.397 32.500 0.020 0.000 0.713 367 K HN 0.143 nan 8.250 nan 0.000 0.442 368 E N 1.354 121.581 120.200 0.046 0.000 2.072 368 E HA -0.175 4.189 4.350 0.024 0.000 0.191 368 E C 1.772 178.381 176.600 0.015 0.000 0.985 368 E CA 1.388 57.802 56.400 0.024 0.000 0.801 368 E CB 0.041 29.741 29.700 0.000 0.000 0.750 368 E HN 0.150 nan 8.360 nan 0.000 0.452 369 E N -0.516 119.693 120.200 0.016 0.000 2.110 369 E HA -0.177 4.188 4.350 0.024 0.000 0.193 369 E C 2.040 178.669 176.600 0.047 0.000 0.988 369 E CA 0.930 57.331 56.400 0.002 0.000 0.804 369 E CB -0.410 29.290 29.700 0.000 0.000 0.745 369 E HN 0.488 nan 8.360 nan 0.000 0.458 370 Y N 0.843 121.185 120.300 0.070 0.000 2.242 370 Y HA -0.151 4.412 4.550 0.023 0.000 0.291 370 Y C 2.767 178.717 175.900 0.083 0.000 1.137 370 Y CA 1.431 59.590 58.100 0.100 0.000 1.181 370 Y CB 0.022 38.527 38.460 0.075 0.000 0.989 370 Y HN -0.040 nan 8.280 nan 0.000 0.527 371 R N 0.433 121.050 120.500 0.196 0.000 2.070 371 R HA -0.170 4.184 4.340 0.024 0.000 0.233 371 R C 2.313 178.641 176.300 0.047 0.000 1.137 371 R CA 1.471 57.639 56.100 0.114 0.000 0.945 371 R CB -0.150 30.191 30.300 0.069 0.000 0.845 371 R HN 0.262 nan 8.270 nan 0.000 0.430 372 R N -0.782 119.691 120.500 -0.044 0.000 2.097 372 R HA -0.192 4.163 4.340 0.024 0.000 0.236 372 R C 2.186 178.367 176.300 -0.198 0.000 1.135 372 R CA 2.331 58.322 56.100 -0.181 0.000 0.934 372 R CB -0.584 29.498 30.300 -0.363 0.000 0.846 372 R HN 0.506 nan 8.270 nan 0.000 0.431 373 H N -0.415 118.632 119.070 -0.037 0.000 2.529 373 H HA 0.068 4.638 4.556 0.023 0.000 0.277 373 H C 1.764 177.038 175.328 -0.091 0.000 0.999 373 H CA 0.513 56.499 56.048 -0.103 0.000 1.256 373 H CB 0.097 29.771 29.762 -0.147 0.000 1.402 373 H HN 0.231 nan 8.280 nan 0.000 0.566 374 N N 0.343 119.134 118.700 0.152 0.000 2.216 374 N HA -0.079 4.675 4.740 0.024 0.000 0.183 374 N C 1.666 177.266 175.510 0.151 0.000 1.017 374 N CA 0.860 54.056 53.050 0.242 0.000 0.861 374 N CB 0.214 38.878 38.487 0.294 0.000 0.986 374 N HN 0.357 nan 8.380 nan 0.000 0.428 375 I N 0.919 121.529 120.570 0.067 0.000 2.202 375 I HA -0.193 3.992 4.170 0.024 0.000 0.242 375 I C 2.667 178.758 176.117 -0.044 0.000 1.091 375 I CA 0.793 62.106 61.300 0.022 0.000 1.368 375 I CB -0.175 37.825 38.000 0.000 0.000 1.058 375 I HN 0.035 nan 8.210 nan 0.000 0.410 376 R N 0.887 121.338 120.500 -0.081 0.000 2.096 376 R HA -0.149 4.205 4.340 0.024 0.000 0.235 376 R C 1.825 178.024 176.300 -0.168 0.000 1.127 376 R CA 1.624 57.662 56.100 -0.104 0.000 0.968 376 R CB -0.019 30.233 30.300 -0.080 0.000 0.861 376 R HN 0.435 nan 8.270 nan 0.000 0.440 377 N N -1.268 117.219 118.700 -0.355 0.000 2.482 377 N HA 0.000 4.754 4.740 0.024 0.000 0.179 377 N C 0.304 175.387 175.510 -0.711 0.000 1.039 377 N CA 0.762 53.371 53.050 -0.734 0.000 0.884 377 N CB 0.452 37.954 38.487 -1.641 0.000 1.113 377 N HN 0.139 nan 8.380 nan 0.000 0.440 378 F N 0.582 120.561 119.950 0.049 0.000 2.781 378 F HA 0.279 4.819 4.527 0.022 0.000 0.322 378 F C 1.194 177.076 175.800 0.137 0.000 1.108 378 F CA -0.874 57.209 58.000 0.139 0.000 1.179 378 F CB -0.257 38.849 39.000 0.177 0.000 1.072 378 F HN -0.208 nan 8.300 nan 0.000 0.545 379 S N 0.573 116.332 115.700 0.098 0.000 2.634 379 S HA 0.546 5.030 4.470 0.024 0.000 0.261 379 S C 1.715 176.003 174.600 -0.520 0.000 1.271 379 S CA -0.033 58.102 58.200 -0.108 0.000 0.985 379 S CB 1.292 64.449 63.200 -0.073 0.000 0.968 379 S HN 0.172 nan 8.310 nan 0.000 0.568 380 A N 0.630 122.838 122.820 -1.021 0.000 2.024 380 A HA 0.153 4.487 4.320 0.024 0.000 0.220 380 A C 1.845 179.113 177.584 -0.525 0.000 1.164 380 A CA 1.468 52.750 52.037 -1.259 0.000 0.643 380 A CB -1.455 16.873 19.000 -1.120 0.000 0.806 380 A HN 1.247 nan 8.150 nan 0.000 0.451 381 G N -0.592 108.018 108.800 -0.318 0.000 3.523 381 G HA2 0.434 4.408 3.960 0.024 0.000 0.270 381 G HA3 0.434 4.408 3.960 0.024 0.000 0.270 381 G C 0.611 175.434 174.900 -0.127 0.000 1.134 381 G CA 0.376 45.371 45.100 -0.176 0.000 0.825 381 G HN 0.681 nan 8.290 nan 0.000 0.534 382 G N -0.157 108.566 108.800 -0.128 0.000 2.544 382 G HA2 0.326 4.301 3.960 0.024 0.000 0.242 382 G HA3 0.326 4.301 3.960 0.024 0.000 0.242 382 G C 1.264 176.143 174.900 -0.035 0.000 1.247 382 G CA 0.274 45.327 45.100 -0.078 0.000 0.840 382 G HN 0.570 nan 8.290 nan 0.000 0.578 383 V N -0.668 119.230 119.914 -0.027 0.000 3.141 383 V HA 0.090 4.224 4.120 0.024 0.000 0.265 383 V C 1.769 177.857 176.094 -0.010 0.000 1.126 383 V CA 1.111 63.398 62.300 -0.022 0.000 1.141 383 V CB -0.913 30.888 31.823 -0.036 0.000 0.743 383 V HN 0.500 nan 8.190 nan 0.000 0.492 384 F N 0.897 120.774 119.950 -0.122 0.000 2.315 384 F HA 0.257 4.798 4.527 0.023 0.000 0.284 384 F C 2.422 178.350 175.800 0.212 0.000 1.049 384 F CA 1.283 59.288 58.000 0.008 0.000 1.323 384 F CB -0.527 38.344 39.000 -0.215 0.000 1.113 384 F HN 0.159 nan 8.300 nan 0.000 0.544 385 E N 0.753 121.174 120.200 0.369 0.000 2.097 385 E HA -0.261 4.103 4.350 0.024 0.000 0.196 385 E C 2.007 178.690 176.600 0.139 0.000 1.000 385 E CA 1.767 58.359 56.400 0.319 0.000 0.804 385 E CB -0.342 29.522 29.700 0.274 0.000 0.740 385 E HN 0.419 nan 8.360 nan 0.000 0.454 386 Q N -0.182 119.647 119.800 0.047 0.000 2.096 386 Q HA -0.218 4.136 4.340 0.024 0.000 0.208 386 Q C 1.718 177.693 176.000 -0.042 0.000 0.993 386 Q CA 1.828 57.620 55.803 -0.018 0.000 0.862 386 Q CB -0.166 28.547 28.738 -0.042 0.000 0.915 386 Q HN 0.409 nan 8.270 nan 0.000 0.416 387 D N 0.031 120.406 120.400 -0.041 0.000 2.183 387 D HA -0.104 4.551 4.640 0.024 0.000 0.203 387 D C 1.297 177.451 176.300 -0.243 0.000 0.969 387 D CA 0.741 54.657 54.000 -0.140 0.000 0.842 387 D CB -0.153 40.533 40.800 -0.191 0.000 0.957 387 D HN 0.225 nan 8.370 nan 0.000 0.484 388 D N 0.563 120.829 120.400 -0.223 0.000 2.084 388 D HA -0.096 4.559 4.640 0.024 0.000 0.194 388 D C 2.166 177.904 176.300 -0.936 0.000 0.990 388 D CA 1.310 54.950 54.000 -0.599 0.000 0.826 388 D CB -0.403 40.123 40.800 -0.456 0.000 0.971 388 D HN 0.243 nan 8.370 nan 0.000 0.453 389 G N 0.666 109.190 108.800 -0.461 0.000 2.443 389 G HA2 -0.260 3.714 3.960 0.024 0.000 0.219 389 G HA3 -0.260 3.714 3.960 0.024 0.000 0.219 389 G C 1.561 176.418 174.900 -0.071 0.000 1.131 389 G CA 0.792 45.813 45.100 -0.131 0.000 0.775 389 G HN 0.216 nan 8.290 nan 0.000 0.547 390 E N 1.428 121.550 120.200 -0.131 0.000 2.077 390 E HA -0.104 4.260 4.350 0.024 0.000 0.193 390 E C 2.149 178.678 176.600 -0.118 0.000 0.989 390 E CA 1.673 58.015 56.400 -0.096 0.000 0.800 390 E CB -0.543 29.093 29.700 -0.105 0.000 0.746 390 E HN 0.609 nan 8.360 nan 0.000 0.452 391 N N -0.827 117.745 118.700 -0.214 0.000 2.142 391 N HA -0.130 4.624 4.740 0.024 0.000 0.186 391 N C 1.347 176.801 175.510 -0.093 0.000 1.023 391 N CA 1.149 54.083 53.050 -0.194 0.000 0.852 391 N CB -0.243 38.080 38.487 -0.272 0.000 0.998 391 N HN 0.248 nan 8.380 nan 0.000 0.424 392 W N 1.130 122.322 121.300 -0.180 0.000 2.388 392 W HA 0.019 4.690 4.660 0.019 0.000 0.294 392 W C 2.093 178.496 176.519 -0.192 0.000 1.212 392 W CA 0.118 57.310 57.345 -0.254 0.000 1.271 392 W CB -1.201 28.174 29.460 -0.141 0.000 1.126 392 W HN -0.105 nan 8.180 nan 0.000 0.535 393 V N 0.592 120.580 119.914 0.123 0.000 2.287 393 V HA -0.284 3.850 4.120 0.024 0.000 0.248 393 V C 2.130 178.228 176.094 0.006 0.000 1.053 393 V CA 2.301 64.643 62.300 0.070 0.000 1.027 393 V CB -0.743 31.121 31.823 0.067 0.000 0.646 393 V HN -0.019 nan 8.190 nan 0.000 0.447 394 E N -0.325 119.857 120.200 -0.029 0.000 2.152 394 E HA -0.061 4.303 4.350 0.024 0.000 0.192 394 E C 1.972 178.521 176.600 -0.086 0.000 0.983 394 E CA 0.792 57.161 56.400 -0.051 0.000 0.818 394 E CB -0.237 29.427 29.700 -0.060 0.000 0.758 394 E HN 0.593 nan 8.360 nan 0.000 0.467 395 I N 0.258 120.734 120.570 -0.156 0.000 2.142 395 I HA -0.310 3.874 4.170 0.024 0.000 0.240 395 I C 2.336 178.354 176.117 -0.165 0.000 1.078 395 I CA 1.162 62.307 61.300 -0.257 0.000 1.343 395 I CB -0.162 37.474 38.000 -0.608 0.000 1.046 395 I HN 0.104 nan 8.210 nan 0.000 0.405 396 Q N 1.130 120.858 119.800 -0.120 0.000 2.124 396 Q HA -0.243 4.112 4.340 0.024 0.000 0.202 396 Q C 2.015 178.023 176.000 0.014 0.000 0.977 396 Q CA 1.706 57.509 55.803 -0.000 0.000 0.850 396 Q CB -0.139 28.623 28.738 0.039 0.000 0.901 396 Q HN 0.212 nan 8.270 nan 0.000 0.429 397 K N -0.721 119.678 120.400 -0.002 0.000 2.026 397 K HA -0.068 4.266 4.320 0.024 0.000 0.208 397 K C 1.873 178.475 176.600 0.004 0.000 1.048 397 K CA 1.861 58.152 56.287 0.006 0.000 0.929 397 K CB -1.036 31.464 32.500 0.000 0.000 0.713 397 K HN 0.272 nan 8.250 nan 0.000 0.439 398 G N 0.667 109.459 108.800 -0.014 0.000 2.442 398 G HA2 -0.200 3.774 3.960 0.024 0.000 0.219 398 G HA3 -0.200 3.774 3.960 0.024 0.000 0.219 398 G C 1.362 176.268 174.900 0.009 0.000 1.141 398 G CA 0.972 46.065 45.100 -0.011 0.000 0.763 398 G HN 0.327 nan 8.290 nan 0.000 0.554 399 L N -0.008 121.227 121.223 0.021 0.000 2.622 399 L HA 0.094 4.448 4.340 0.024 0.000 0.233 399 L C 2.787 179.692 176.870 0.059 0.000 1.156 399 L CA 0.046 54.916 54.840 0.051 0.000 0.866 399 L CB -0.126 41.987 42.059 0.090 0.000 0.980 399 L HN 0.167 nan 8.230 nan 0.000 0.448 400 R N 0.216 120.747 120.500 0.050 0.000 2.237 400 R HA 0.006 4.360 4.340 0.024 0.000 0.219 400 R C 1.089 177.430 176.300 0.068 0.000 1.080 400 R CA 0.539 56.673 56.100 0.057 0.000 0.995 400 R CB -0.189 30.139 30.300 0.045 0.000 0.875 400 R HN 0.299 nan 8.270 nan 0.000 0.462 401 G N -0.903 107.935 108.800 0.063 0.000 2.400 401 G HA2 0.040 4.014 3.960 0.024 0.000 0.301 401 G HA3 0.040 4.014 3.960 0.024 0.000 0.301 401 G C -0.064 174.900 174.900 0.105 0.000 1.154 401 G CA -0.555 44.595 45.100 0.083 0.000 0.852 401 G HN 0.124 nan 8.290 nan 0.000 0.511 402 Y N 1.255 121.569 120.300 0.024 0.000 2.145 402 Y HA -0.070 4.493 4.550 0.022 0.000 0.286 402 Y C 2.391 178.306 175.900 0.025 0.000 1.145 402 Y CA 1.837 59.952 58.100 0.026 0.000 1.148 402 Y CB 0.267 38.739 38.460 0.020 0.000 0.981 402 Y HN 0.361 nan 8.280 nan 0.000 0.507 403 K N 0.337 120.647 120.400 -0.150 0.000 2.228 403 K HA 0.081 4.415 4.320 0.024 0.000 0.202 403 K C 2.193 178.700 176.600 -0.155 0.000 1.051 403 K CA 0.858 57.005 56.287 -0.234 0.000 0.960 403 K CB -0.540 31.932 32.500 -0.046 0.000 0.743 403 K HN 0.427 nan 8.250 nan 0.000 0.458 404 A N 1.451 124.224 122.820 -0.079 0.000 2.125 404 A HA -0.128 4.206 4.320 0.024 0.000 0.219 404 A C 1.536 179.090 177.584 -0.049 0.000 1.156 404 A CA 1.339 53.349 52.037 -0.045 0.000 0.671 404 A CB -0.101 18.893 19.000 -0.010 0.000 0.794 404 A HN 0.229 nan 8.150 nan 0.000 0.459 405 K N -0.445 119.900 120.400 -0.092 0.000 2.413 405 K HA 0.078 4.412 4.320 0.024 0.000 0.204 405 K C 1.426 177.949 176.600 -0.127 0.000 1.041 405 K CA 0.603 56.848 56.287 -0.070 0.000 1.082 405 K CB 0.517 33.005 32.500 -0.021 0.000 0.871 405 K HN 0.510 nan 8.250 nan 0.000 0.535 406 S N 0.085 115.662 115.700 -0.205 0.000 2.478 406 S HA 0.036 4.520 4.470 0.024 0.000 0.222 406 S C 0.634 175.168 174.600 -0.111 0.000 1.008 406 S CA 0.000 58.069 58.200 -0.219 0.000 0.928 406 S CB 0.089 63.090 63.200 -0.331 0.000 0.781 406 S HN 0.133 nan 8.310 nan 0.000 0.518 407 Q N 1.871 121.622 119.800 -0.083 0.000 2.365 407 Q HA 0.507 4.862 4.340 0.024 0.000 0.269 407 Q C -2.911 173.065 176.000 -0.040 0.000 1.061 407 Q CA -2.573 53.198 55.803 -0.052 0.000 0.816 407 Q CB 1.918 30.629 28.738 -0.045 0.000 1.325 407 Q HN 0.225 nan 8.270 nan 0.000 0.446 408 P HA 0.110 nan 4.420 nan 0.000 0.272 408 P C -0.626 176.655 177.300 -0.032 0.000 1.223 408 P CA -0.062 63.015 63.100 -0.039 0.000 0.784 408 P CB 0.862 32.539 31.700 -0.039 0.000 0.923 409 L N 1.831 123.033 121.223 -0.035 0.000 2.399 409 L HA 0.271 4.625 4.340 0.024 0.000 0.266 409 L C 1.085 177.936 176.870 -0.030 0.000 1.114 409 L CA -0.609 54.218 54.840 -0.021 0.000 0.804 409 L CB 0.206 42.265 42.059 0.001 0.000 1.146 409 L HN 0.404 nan 8.230 nan 0.000 0.451 410 N N 1.148 119.841 118.700 -0.012 0.000 2.401 410 N HA 0.356 5.110 4.740 0.024 0.000 0.255 410 N C -0.300 175.207 175.510 -0.005 0.000 1.110 410 N CA -0.035 53.010 53.050 -0.009 0.000 0.949 410 N CB 0.960 39.449 38.487 0.003 0.000 1.110 410 N HN 0.675 nan 8.380 nan 0.000 0.490 411 A N 3.544 126.353 122.820 -0.018 0.000 2.812 411 A HA 0.177 4.511 4.320 0.024 0.000 0.294 411 A C 0.493 178.071 177.584 -0.010 0.000 1.014 411 A CA -0.402 51.631 52.037 -0.007 0.000 1.024 411 A CB 0.109 19.098 19.000 -0.019 0.000 1.162 411 A HN 0.807 nan 8.150 nan 0.000 0.511 412 Q N -0.472 119.319 119.800 -0.015 0.000 2.319 412 Q HA 0.233 4.587 4.340 0.024 0.000 0.202 412 Q C 0.513 176.496 176.000 -0.028 0.000 0.896 412 Q CA -0.036 55.755 55.803 -0.020 0.000 0.942 412 Q CB 0.232 28.959 28.738 -0.018 0.000 1.083 412 Q HN 0.768 nan 8.270 nan 0.000 0.510 413 M N 0.584 120.161 119.600 -0.038 0.000 2.268 413 M HA 0.091 4.585 4.480 0.024 0.000 0.349 413 M C 0.488 176.764 176.300 -0.039 0.000 1.485 413 M CA 1.040 56.302 55.300 -0.063 0.000 1.094 413 M CB 0.253 32.778 32.600 -0.125 0.000 1.843 413 M HN 0.435 nan 8.290 nan 0.000 0.460 414 G N 4.301 113.084 108.800 -0.029 0.000 2.198 414 G HA2 -0.259 3.715 3.960 0.024 0.000 0.257 414 G HA3 -0.259 3.715 3.960 0.024 0.000 0.257 414 G C -0.431 174.459 174.900 -0.016 0.000 1.042 414 G CA -0.079 45.016 45.100 -0.009 0.000 0.791 414 G HN 0.674 nan 8.290 nan 0.000 0.502 415 L N 0.538 121.748 121.223 -0.021 0.000 2.477 415 L HA 0.527 4.881 4.340 0.024 0.000 0.272 415 L C 1.563 178.421 176.870 -0.019 0.000 1.157 415 L CA 1.705 56.532 54.840 -0.023 0.000 0.889 415 L CB 0.514 42.560 42.059 -0.022 0.000 1.158 415 L HN 1.501 nan 8.230 nan 0.000 0.473 416 G N 3.908 112.696 108.800 -0.021 0.000 2.198 416 G HA2 -0.290 3.684 3.960 0.024 0.000 0.260 416 G HA3 -0.290 3.684 3.960 0.024 0.000 0.260 416 G C 1.100 175.997 174.900 -0.006 0.000 1.025 416 G CA 0.507 45.598 45.100 -0.015 0.000 0.769 416 G HN 0.636 nan 8.290 nan 0.000 0.507 417 R N -0.512 119.986 120.500 -0.003 0.000 2.335 417 R HA 0.188 4.542 4.340 0.024 0.000 0.210 417 R C 0.676 176.990 176.300 0.023 0.000 0.892 417 R CA 0.474 56.579 56.100 0.009 0.000 1.048 417 R CB 0.415 30.719 30.300 0.007 0.000 1.067 417 R HN 0.376 nan 8.270 nan 0.000 0.524 418 S N 2.081 117.789 115.700 0.013 0.000 2.554 418 S HA 0.294 4.778 4.470 0.024 0.000 0.278 418 S C 0.054 174.677 174.600 0.038 0.000 1.242 418 S CA -0.556 57.658 58.200 0.022 0.000 1.051 418 S CB 1.617 64.812 63.200 -0.010 0.000 0.986 418 S HN 0.138 nan 8.310 nan 0.000 0.502 419 Q N -0.187 119.657 119.800 0.073 0.000 2.544 419 Q HA 0.544 4.898 4.340 0.024 0.000 0.291 419 Q C -0.383 175.692 176.000 0.126 0.000 1.068 419 Q CA -1.041 54.814 55.803 0.085 0.000 0.785 419 Q CB 0.897 29.686 28.738 0.085 0.000 1.481 419 Q HN 0.567 nan 8.270 nan 0.000 0.430 420 T N -3.691 110.935 114.554 0.119 0.000 3.122 420 T HA 0.256 4.621 4.350 0.024 0.000 0.250 420 T C 0.937 175.733 174.700 0.160 0.000 1.067 420 T CA 0.320 62.509 62.100 0.148 0.000 0.966 420 T CB -0.014 68.925 68.868 0.118 0.000 1.002 420 T HN 0.742 nan 8.240 nan 0.000 0.542 421 G N 0.472 109.362 108.800 0.150 0.000 3.707 421 G HA2 0.210 4.184 3.960 0.024 0.000 0.286 421 G HA3 0.210 4.184 3.960 0.024 0.000 0.286 421 G C -0.237 174.745 174.900 0.136 0.000 1.112 421 G CA -0.598 44.575 45.100 0.121 0.000 0.861 421 G HN 0.611 nan 8.290 nan 0.000 0.534 422 H N 1.863 121.006 119.070 0.120 0.000 2.848 422 H HA 0.220 4.791 4.556 0.024 0.000 0.317 422 H C -0.670 174.698 175.328 0.067 0.000 1.046 422 H CA -1.027 55.098 56.048 0.129 0.000 1.470 422 H CB 1.749 31.652 29.762 0.235 0.000 1.483 422 H HN 0.010 nan 8.280 nan 0.000 0.548 423 P HA -0.132 nan 4.420 nan 0.000 0.222 423 P C 0.121 177.329 177.300 -0.154 0.000 1.147 423 P CA 1.162 64.151 63.100 -0.184 0.000 0.790 423 P CB 0.656 32.213 31.700 -0.239 0.000 0.780 424 D N -1.450 118.870 120.400 -0.134 0.000 2.463 424 D HA 0.122 4.776 4.640 0.024 0.000 0.237 424 D C 0.302 176.311 176.300 -0.486 0.000 1.013 424 D CA 0.522 54.266 54.000 -0.427 0.000 0.910 424 D CB 0.170 40.466 40.800 -0.840 0.000 1.080 424 D HN 0.206 nan 8.370 nan 0.000 0.498 425 F N 1.577 121.756 119.950 0.381 0.000 2.467 425 F HA 0.400 4.941 4.527 0.024 0.000 0.336 425 F C -2.265 173.691 175.800 0.260 0.000 1.123 425 F CA -2.398 55.756 58.000 0.256 0.000 0.964 425 F CB 1.951 41.206 39.000 0.425 0.000 1.136 425 F HN -0.318 nan 8.300 nan 0.000 0.447 426 P HA 0.465 nan 4.420 nan 0.000 0.278 426 P C 0.269 177.825 177.300 0.425 0.000 1.238 426 P CA 0.065 63.312 63.100 0.246 0.000 0.794 426 P CB 1.268 33.004 31.700 0.059 0.000 0.955 427 G N 1.965 110.996 108.800 0.385 0.000 2.627 427 G HA2 -0.201 3.774 3.960 0.024 0.000 0.214 427 G HA3 -0.201 3.774 3.960 0.024 0.000 0.214 427 G C -0.582 174.541 174.900 0.373 0.000 1.331 427 G CA -0.763 44.620 45.100 0.472 0.000 0.891 427 G HN 0.667 nan 8.290 nan 0.000 0.539 428 N N -0.044 118.806 118.700 0.249 0.000 2.406 428 N HA 0.424 5.178 4.740 0.024 0.000 0.265 428 N C -0.159 175.423 175.510 0.121 0.000 1.203 428 N CA 0.237 53.351 53.050 0.106 0.000 0.945 428 N CB 0.620 39.084 38.487 -0.040 0.000 1.165 428 N HN 0.723 nan 8.380 nan 0.000 0.485 429 V N 2.258 122.268 119.914 0.160 0.000 2.448 429 V HA 0.782 4.916 4.120 0.024 0.000 0.295 429 V C 0.916 177.027 176.094 0.028 0.000 1.025 429 V CA -0.570 61.802 62.300 0.119 0.000 0.859 429 V CB 1.296 33.239 31.823 0.200 0.000 0.988 429 V HN 0.704 nan 8.190 nan 0.000 0.431 430 G N 2.305 111.067 108.800 -0.064 0.000 3.262 430 G HA2 0.487 4.461 3.960 0.024 0.000 0.229 430 G HA3 0.487 4.461 3.960 0.024 0.000 0.229 430 G C -1.532 173.318 174.900 -0.085 0.000 1.280 430 G CA -0.643 44.435 45.100 -0.037 0.000 0.951 430 G HN 0.458 nan 8.290 nan 0.000 0.589 431 Y N -0.385 119.823 120.300 -0.153 0.000 2.326 431 Y HA 0.345 4.909 4.550 0.024 0.000 0.333 431 Y C 1.555 177.282 175.900 -0.288 0.000 1.240 431 Y CA 0.131 58.119 58.100 -0.187 0.000 1.365 431 Y CB 1.738 40.142 38.460 -0.093 0.000 1.289 431 Y HN 0.250 nan 8.280 nan 0.000 0.548 432 V N 5.554 124.749 119.914 -1.199 0.000 2.407 432 V HA -0.250 3.884 4.120 0.024 0.000 0.248 432 V C 0.010 175.659 176.094 -0.741 0.000 1.055 432 V CA 1.610 63.262 62.300 -1.081 0.000 1.049 432 V CB -0.679 30.384 31.823 -1.267 0.000 0.662 432 V HN 0.693 nan 8.190 nan 0.000 0.455 433 Y N 1.218 121.196 120.300 -0.536 0.000 2.724 433 Y HA 0.707 5.271 4.550 0.024 0.000 0.332 433 Y C 0.361 176.237 175.900 -0.039 0.000 1.276 433 Y CA -0.328 57.703 58.100 -0.114 0.000 1.597 433 Y CB -0.474 38.046 38.460 0.100 0.000 1.584 433 Y HN 0.298 nan 8.280 nan 0.000 0.478 434 A N 0.879 123.716 122.820 0.027 0.000 2.524 434 A HA 0.813 5.147 4.320 0.024 0.000 0.286 434 A C -0.018 177.557 177.584 -0.015 0.000 1.203 434 A CA -0.824 51.212 52.037 -0.002 0.000 0.736 434 A CB 1.401 20.396 19.000 -0.008 0.000 1.322 434 A HN 0.488 nan 8.150 nan 0.000 0.424 435 E N -0.868 119.321 120.200 -0.018 0.000 2.876 435 E HA 0.086 4.450 4.350 0.024 0.000 0.208 435 E C 0.278 176.873 176.600 -0.008 0.000 0.981 435 E CA -0.055 56.349 56.400 0.005 0.000 1.174 435 E CB 0.931 30.643 29.700 0.020 0.000 1.047 435 E HN 0.660 nan 8.360 nan 0.000 0.477 436 E N 1.314 121.491 120.200 -0.038 0.000 2.106 436 E HA -0.124 4.240 4.350 0.024 0.000 0.192 436 E C 1.848 178.394 176.600 -0.090 0.000 0.984 436 E CA 1.545 57.907 56.400 -0.064 0.000 0.806 436 E CB 0.021 29.673 29.700 -0.079 0.000 0.750 436 E HN 0.302 nan 8.360 nan 0.000 0.458 437 A N 0.758 123.522 122.820 -0.093 0.000 1.877 437 A HA -0.047 4.287 4.320 0.024 0.000 0.216 437 A C 2.446 179.988 177.584 -0.070 0.000 1.186 437 A CA 2.065 54.037 52.037 -0.108 0.000 0.620 437 A CB -1.066 17.893 19.000 -0.069 0.000 0.822 437 A HN 0.376 nan 8.150 nan 0.000 0.443 438 A N -0.249 122.565 122.820 -0.009 0.000 1.877 438 A HA -0.179 4.155 4.320 0.024 0.000 0.216 438 A C 2.244 179.881 177.584 0.088 0.000 1.186 438 A CA 1.571 53.628 52.037 0.032 0.000 0.620 438 A CB -0.518 18.563 19.000 0.136 0.000 0.822 438 A HN 0.531 nan 8.150 nan 0.000 0.443 439 R N -0.995 119.552 120.500 0.078 0.000 2.127 439 R HA -0.128 4.227 4.340 0.024 0.000 0.238 439 R C 2.305 178.624 176.300 0.032 0.000 1.134 439 R CA 1.124 57.270 56.100 0.078 0.000 0.975 439 R CB -0.553 29.753 30.300 0.010 0.000 0.865 439 R HN 0.559 nan 8.270 nan 0.000 0.447 440 G N 0.477 109.243 108.800 -0.057 0.000 2.421 440 G HA2 -0.241 3.733 3.960 0.024 0.000 0.217 440 G HA3 -0.241 3.733 3.960 0.024 0.000 0.217 440 G C 1.374 176.178 174.900 -0.159 0.000 1.143 440 G CA 0.178 45.208 45.100 -0.118 0.000 0.784 440 G HN 0.156 nan 8.290 nan 0.000 0.541 441 M N -0.717 118.770 119.600 -0.189 0.000 2.077 441 M HA 0.004 4.498 4.480 0.024 0.000 0.261 441 M C 2.374 178.504 176.300 -0.282 0.000 1.070 441 M CA 1.352 56.475 55.300 -0.295 0.000 1.125 441 M CB -0.112 32.303 32.600 -0.308 0.000 1.339 441 M HN 0.374 nan 8.290 nan 0.000 0.409 442 Y N -1.544 118.720 120.300 -0.059 0.000 2.293 442 Y HA -0.265 4.299 4.550 0.023 0.000 0.291 442 Y C 2.412 178.336 175.900 0.040 0.000 1.137 442 Y CA 1.654 59.724 58.100 -0.049 0.000 1.202 442 Y CB -0.595 37.778 38.460 -0.145 0.000 0.990 442 Y HN 0.454 nan 8.280 nan 0.000 0.537 443 H N -1.152 117.945 119.070 0.045 0.000 2.357 443 H HA -0.191 4.379 4.556 0.024 0.000 0.301 443 H C 2.187 177.445 175.328 -0.116 0.000 1.082 443 H CA 2.220 58.254 56.048 -0.024 0.000 1.342 443 H CB -0.202 29.525 29.762 -0.059 0.000 1.389 443 H HN 0.345 nan 8.280 nan 0.000 0.511 444 H N -1.217 117.649 119.070 -0.340 0.000 2.389 444 H HA -0.129 4.441 4.556 0.023 0.000 0.299 444 H C 2.040 177.030 175.328 -0.563 0.000 1.081 444 H CA 1.821 57.500 56.048 -0.615 0.000 1.345 444 H CB -0.592 28.607 29.762 -0.939 0.000 1.393 444 H HN 0.562 nan 8.280 nan 0.000 0.520 445 W N 0.604 121.540 121.300 -0.607 0.000 2.318 445 W HA -0.306 4.367 4.660 0.023 0.000 0.313 445 W C 2.428 178.777 176.519 -0.283 0.000 1.221 445 W CA 2.267 59.447 57.345 -0.274 0.000 1.266 445 W CB -0.360 29.092 29.460 -0.013 0.000 1.150 445 W HN 0.242 nan 8.180 nan 0.000 0.496 446 M N 1.005 120.566 119.600 -0.066 0.000 2.080 446 M HA -0.228 4.267 4.480 0.024 0.000 0.260 446 M C 2.023 178.044 176.300 -0.465 0.000 1.068 446 M CA 2.046 57.191 55.300 -0.257 0.000 1.109 446 M CB -0.911 31.639 32.600 -0.084 0.000 1.342 446 M HN 0.119 nan 8.290 nan 0.000 0.405 447 R N -0.467 119.714 120.500 -0.532 0.000 2.081 447 R HA -0.128 4.226 4.340 0.024 0.000 0.235 447 R C 2.271 178.251 176.300 -0.534 0.000 1.131 447 R CA 1.664 57.458 56.100 -0.509 0.000 0.960 447 R CB -0.329 29.658 30.300 -0.521 0.000 0.856 447 R HN 0.464 nan 8.270 nan 0.000 0.436 448 M N -0.254 118.940 119.600 -0.676 0.000 2.159 448 M HA -0.143 4.351 4.480 0.024 0.000 0.263 448 M C 2.112 178.095 176.300 -0.528 0.000 1.063 448 M CA 1.438 56.373 55.300 -0.608 0.000 1.110 448 M CB -0.259 32.013 32.600 -0.546 0.000 1.374 448 M HN 0.180 nan 8.290 nan 0.000 0.411 449 M N -0.715 118.508 119.600 -0.629 0.000 2.388 449 M HA -0.032 4.462 4.480 0.024 0.000 0.265 449 M C 2.113 178.175 176.300 -0.397 0.000 1.088 449 M CA 1.271 56.220 55.300 -0.585 0.000 1.134 449 M CB -0.799 31.258 32.600 -0.904 0.000 1.384 449 M HN 0.312 nan 8.290 nan 0.000 0.447 450 S N -1.027 114.456 115.700 -0.361 0.000 2.517 450 S HA 0.142 4.626 4.470 0.024 0.000 0.214 450 S C 0.397 174.877 174.600 -0.200 0.000 0.991 450 S CA -0.285 57.772 58.200 -0.239 0.000 0.906 450 S CB 0.063 63.139 63.200 -0.207 0.000 0.789 450 S HN 0.416 nan 8.310 nan 0.000 0.513 451 E N 2.616 122.667 120.200 -0.248 0.000 2.141 451 E HA 0.286 4.650 4.350 0.024 0.000 0.259 451 E C -2.032 174.425 176.600 -0.239 0.000 0.883 451 E CA -2.369 53.904 56.400 -0.212 0.000 0.744 451 E CB 1.813 31.386 29.700 -0.211 0.000 1.150 451 E HN 0.175 nan 8.360 nan 0.000 0.420 452 P HA -0.120 nan 4.420 nan 0.000 0.217 452 P C 0.517 177.721 177.300 -0.160 0.000 1.151 452 P CA 0.688 63.695 63.100 -0.155 0.000 0.828 452 P CB 0.432 32.078 31.700 -0.091 0.000 0.788 453 S N -1.375 114.254 115.700 -0.118 0.000 2.508 453 S HA 0.219 4.703 4.470 0.024 0.000 0.284 453 S C 0.288 174.863 174.600 -0.042 0.000 1.192 453 S CA -0.743 57.432 58.200 -0.043 0.000 1.070 453 S CB 0.144 63.351 63.200 0.011 0.000 1.004 453 S HN 0.044 nan 8.310 nan 0.000 0.493 454 W N 3.261 124.586 121.300 0.042 0.000 2.825 454 W HA 0.073 4.747 4.660 0.023 0.000 0.243 454 W C 2.188 178.737 176.519 0.050 0.000 1.293 454 W CA 0.404 57.789 57.345 0.067 0.000 1.403 454 W CB -0.040 29.464 29.460 0.073 0.000 1.134 454 W HN 0.912 nan 8.180 nan 0.000 0.666 455 A N -0.193 122.765 122.820 0.229 0.000 1.969 455 A HA -0.194 4.141 4.320 0.024 0.000 0.218 455 A C 2.006 179.661 177.584 0.117 0.000 1.169 455 A CA 2.212 54.337 52.037 0.146 0.000 0.635 455 A CB -1.089 17.967 19.000 0.094 0.000 0.810 455 A HN 0.298 nan 8.150 nan 0.000 0.445 456 T N -2.621 111.989 114.554 0.094 0.000 2.976 456 T HA 0.149 4.514 4.350 0.024 0.000 0.257 456 T C 1.822 176.596 174.700 0.123 0.000 1.051 456 T CA 0.943 63.087 62.100 0.073 0.000 1.141 456 T CB -0.348 68.532 68.868 0.019 0.000 0.881 456 T HN 0.206 nan 8.240 nan 0.000 0.461 457 L N 1.262 122.573 121.223 0.146 0.000 2.072 457 L HA 0.141 4.495 4.340 0.024 0.000 0.205 457 L C 1.388 178.589 176.870 0.551 0.000 1.079 457 L CA 0.490 55.491 54.840 0.268 0.000 0.752 457 L CB -0.462 41.552 42.059 -0.075 0.000 0.906 457 L HN 0.387 nan 8.230 nan 0.000 0.436 458 K N 1.757 122.447 120.400 0.484 0.000 2.550 458 K HA 0.045 4.379 4.320 0.024 0.000 0.280 458 K C -2.259 174.221 176.600 -0.199 0.000 0.987 458 K CA -1.111 55.265 56.287 0.147 0.000 1.048 458 K CB -0.531 32.024 32.500 0.092 0.000 0.879 458 K HN -0.051 nan 8.250 nan 0.000 0.491 459 P HA 0.000 nan 4.420 nan 0.000 0.216 459 P CA 0.000 62.664 63.100 -0.726 0.000 0.800 459 P CB 0.000 31.109 31.700 -0.985 0.000 0.726