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 1lap_1_A DATA FIRST_RESID 1 DATA SEQUENCE TKGLVLGIYS KXXXEDEPQF TSAGENFNKL VSGKLREILN ISGPPLKAGK DATA SEQUENCE TRTFYGLHED FPSVVVVGLG KKTAGIDEQE NWHEGKENIR AAVAAGCRQI DATA SEQUENCE QDLEIPSVEV DPCGDAQAAA EGAVLGLYEY DDLKQKRKVV VSAKLHGSED DATA SEQUENCE QEAWQRGVLF ASGQNLARRL METPANEMTP TKFAEIVEEN LKSASIKTDV DATA SEQUENCE FIRPKSWIEE QEMGSFLSVA KGSEEPPVFL EIHYKGSPNA SEPPLVFVGK DATA SEQUENCE GITFDSGGIS IKAAANMDLM RADMGGAATI CSAIVSAAKL DLPINIVGLA DATA SEQUENCE PLCENMPSGK ANKPGDVVRA RNGKTIQVDN TDAEGRLILA DALCYAHTFN DATA SEQUENCE PKVIINAATL TGAMDIALGS GATGVFTNSS WLWNKLFEAS IETGDRVWRM DATA SEQUENCE PLFEHYTRQV IDCQLADVNN IGKYRSAGAC TAAAFLKEFV THPKWAHLDI DATA SEQUENCE AGVMTNKDEV PYLRKGMAGR PTRTLIEFLF RFSQ 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.723 174.700 0.038 0.000 1.109 1 T CA 0.000 62.105 62.100 0.008 0.000 1.349 1 T CB 0.000 68.880 68.868 0.020 0.000 0.612 2 K N 0.183 120.623 120.400 0.067 0.000 2.267 2 K HA 0.747 nan 4.320 nan 0.000 0.246 2 K C -0.800 175.941 176.600 0.236 0.000 0.954 2 K CA -1.246 55.137 56.287 0.159 0.000 0.824 2 K CB 3.513 36.166 32.500 0.256 0.000 1.167 2 K HN -0.162 8.109 8.250 0.036 0.000 0.431 3 G N -1.025 107.879 108.800 0.174 0.000 2.489 3 G HA2 0.805 nan 3.960 nan 0.000 0.327 3 G HA3 0.805 nan 3.960 nan 0.000 0.327 3 G C -2.965 171.923 174.900 -0.020 0.000 1.189 3 G CA -1.870 43.290 45.100 0.100 0.000 0.962 3 G HN -0.009 8.358 8.290 0.128 0.000 0.486 4 L N 1.252 122.331 121.223 -0.241 0.000 2.409 4 L HA 0.881 nan 4.340 nan 0.000 0.272 4 L C -2.023 174.586 176.870 -0.435 0.000 0.980 4 L CA -0.890 53.614 54.840 -0.558 0.000 0.826 4 L CB 3.849 45.198 42.059 -1.183 0.000 1.268 4 L HN 0.072 8.188 8.230 -0.190 0.000 0.407 5 V N 7.264 126.959 119.914 -0.364 0.000 2.394 5 V HA 0.696 nan 4.120 nan 0.000 0.282 5 V C -1.840 174.060 176.094 -0.323 0.000 1.031 5 V CA -0.867 61.270 62.300 -0.272 0.000 0.881 5 V CB 1.171 32.900 31.823 -0.158 0.000 0.982 5 V HN 0.717 8.692 8.190 -0.358 0.000 0.451 6 L N 7.727 128.778 121.223 -0.287 0.000 2.408 6 L HA 0.719 nan 4.340 nan 0.000 0.268 6 L C -1.577 175.201 176.870 -0.154 0.000 0.986 6 L CA -1.435 53.240 54.840 -0.274 0.000 0.820 6 L CB 4.463 46.308 42.059 -0.356 0.000 1.303 6 L HN 0.777 8.861 8.230 -0.242 0.000 0.411 7 G N 2.272 110.996 108.800 -0.127 0.000 2.441 7 G HA2 0.835 nan 3.960 nan 0.000 0.334 7 G HA3 0.835 nan 3.960 nan 0.000 0.334 7 G C -2.729 172.119 174.900 -0.086 0.000 1.161 7 G CA -2.018 43.003 45.100 -0.132 0.000 0.935 7 G HN 0.232 8.735 8.290 -0.132 -0.292 0.488 8 I N -1.058 119.421 120.570 -0.152 0.000 2.934 8 I HA 0.909 nan 4.170 nan 0.000 0.306 8 I C -2.353 173.543 176.117 -0.368 0.000 1.110 8 I CA -2.497 58.709 61.300 -0.156 0.000 1.019 8 I CB 4.099 42.090 38.000 -0.014 0.000 1.227 8 I HN 0.352 8.458 8.210 -0.172 0.000 0.434 9 Y N 3.752 124.043 120.300 -0.015 0.000 2.534 9 Y HA 0.291 nan 4.550 nan 0.000 0.329 9 Y C -0.634 175.246 175.900 -0.034 0.000 1.154 9 Y CA -1.122 56.967 58.100 -0.018 0.000 1.192 9 Y CB 2.034 40.485 38.460 -0.015 0.000 1.275 9 Y HN 0.232 8.519 8.280 0.012 0.000 0.491 10 S N 0.330 116.130 115.700 0.168 0.000 2.592 10 S HA 0.036 nan 4.470 nan 0.000 0.271 10 S C -0.058 174.577 174.600 0.059 0.000 1.326 10 S CA 0.007 58.252 58.200 0.076 0.000 1.024 10 S CB 0.937 64.174 63.200 0.061 0.000 0.921 10 S HN 0.422 8.744 8.310 0.218 0.119 0.527 16 D N 1.226 121.614 120.400 -0.019 0.000 2.121 16 D HA -0.081 nan 4.640 nan 0.000 0.209 16 D C -0.311 175.969 176.300 -0.033 0.000 0.981 16 D CA 1.249 55.236 54.000 -0.022 0.000 0.875 16 D CB 0.664 41.453 40.800 -0.019 0.000 1.016 16 D HN 0.035 8.394 8.370 -0.019 0.000 0.452 17 E N -0.377 119.796 120.200 -0.045 0.000 2.174 17 E HA 0.183 nan 4.350 nan 0.000 0.282 17 E C -2.066 174.484 176.600 -0.082 0.000 0.992 17 E CA -2.447 53.906 56.400 -0.077 0.000 0.803 17 E CB 1.137 30.782 29.700 -0.092 0.000 1.090 17 E HN -0.273 8.064 8.360 -0.038 0.000 0.396 18 P HA -0.117 nan 4.420 nan 0.000 0.260 18 P C -1.048 176.167 177.300 -0.142 0.000 1.172 18 P CA 0.115 63.166 63.100 -0.081 0.000 0.760 18 P CB 0.614 32.268 31.700 -0.076 0.000 0.773 19 Q N 1.392 121.180 119.800 -0.021 0.000 2.314 19 Q HA 0.040 nan 4.340 nan 0.000 0.258 19 Q C -0.043 175.990 176.000 0.054 0.000 0.954 19 Q CA -0.303 55.509 55.803 0.015 0.000 0.890 19 Q CB 1.452 30.267 28.738 0.128 0.000 1.210 19 Q HN 0.198 8.497 8.270 0.048 0.000 0.410 20 F N 0.146 120.160 119.950 0.106 0.000 2.399 20 F HA 0.185 nan 4.527 nan 0.000 0.313 20 F C 0.737 176.603 175.800 0.110 0.000 1.202 20 F CA 0.019 58.050 58.000 0.051 0.000 1.192 20 F CB 1.263 40.283 39.000 0.033 0.000 1.256 20 F HN 0.179 8.469 8.300 -0.017 0.000 0.558 21 T N -3.312 111.409 114.554 0.277 0.000 2.726 21 T HA 0.169 nan 4.350 nan 0.000 0.294 21 T C 1.521 176.327 174.700 0.177 0.000 1.013 21 T CA -1.238 60.990 62.100 0.213 0.000 0.996 21 T CB 1.736 70.646 68.868 0.071 0.000 1.016 21 T HN -0.008 8.369 8.240 0.229 0.000 0.529 22 S N 3.212 118.990 115.700 0.130 0.000 2.374 22 S HA -0.393 nan 4.470 nan 0.000 0.227 22 S C 1.729 176.369 174.600 0.066 0.000 1.037 22 S CA 4.441 62.695 58.200 0.090 0.000 1.024 22 S CB -0.539 62.699 63.200 0.063 0.000 0.861 22 S HN 0.573 8.963 8.310 0.133 0.000 0.456 23 A N 0.802 123.655 122.820 0.055 0.000 1.930 23 A HA -0.102 nan 4.320 nan 0.000 0.217 23 A C 2.092 179.662 177.584 -0.023 0.000 1.175 23 A CA 2.486 54.555 52.037 0.054 0.000 0.627 23 A CB -0.690 18.362 19.000 0.086 0.000 0.815 23 A HN 0.262 8.439 8.150 0.057 0.008 0.443 24 G N -1.606 107.141 108.800 -0.088 0.000 2.404 24 G HA2 -0.369 nan 3.960 nan 0.000 0.215 24 G HA3 -0.369 nan 3.960 nan 0.000 0.215 24 G C 1.209 175.868 174.900 -0.402 0.000 1.174 24 G CA 1.764 46.665 45.100 -0.332 0.000 0.780 24 G HN -0.158 8.035 8.290 -0.018 0.086 0.537 25 E N 2.043 122.205 120.200 -0.064 0.000 2.058 25 E HA -0.405 nan 4.350 nan 0.000 0.194 25 E C 2.311 178.909 176.600 -0.003 0.000 0.997 25 E CA 3.084 59.528 56.400 0.072 0.000 0.801 25 E CB -0.380 29.428 29.700 0.179 0.000 0.746 25 E HN 0.136 8.540 8.360 0.074 0.000 0.450 26 N N -0.619 118.085 118.700 0.006 0.000 2.166 26 N HA -0.304 nan 4.740 nan 0.000 0.186 26 N C 2.269 177.765 175.510 -0.025 0.000 1.019 26 N CA 3.002 56.053 53.050 0.003 0.000 0.856 26 N CB 0.168 38.675 38.487 0.033 0.000 0.993 26 N HN -0.133 8.261 8.380 0.023 0.000 0.426 27 F N 1.537 121.393 119.950 -0.156 0.000 2.146 27 F HA -0.370 nan 4.527 nan 0.000 0.298 27 F C 1.225 176.908 175.800 -0.195 0.000 1.096 27 F CA 3.710 61.594 58.000 -0.193 0.000 1.275 27 F CB 0.381 39.209 39.000 -0.286 0.000 1.008 27 F HN 0.191 8.452 8.300 0.071 0.081 0.480 28 N N -1.076 117.489 118.700 -0.224 0.000 2.223 28 N HA -0.375 nan 4.740 nan 0.000 0.185 28 N C 1.872 177.272 175.510 -0.184 0.000 1.016 28 N CA 3.214 56.138 53.050 -0.210 0.000 0.863 28 N CB -0.276 38.148 38.487 -0.105 0.000 0.983 28 N HN 0.093 8.288 8.380 -0.183 0.075 0.429 29 K N -0.316 119.997 120.400 -0.145 0.000 2.103 29 K HA -0.241 nan 4.320 nan 0.000 0.204 29 K C 2.907 179.409 176.600 -0.164 0.000 1.052 29 K CA 3.106 59.327 56.287 -0.110 0.000 0.945 29 K CB -0.103 32.359 32.500 -0.064 0.000 0.722 29 K HN -0.485 7.589 8.250 -0.123 0.102 0.443 30 L N -1.094 119.979 121.223 -0.250 0.000 2.191 30 L HA -0.217 nan 4.340 nan 0.000 0.212 30 L C 0.952 177.625 176.870 -0.328 0.000 1.103 30 L CA 2.547 57.216 54.840 -0.285 0.000 0.769 30 L CB 0.474 42.308 42.059 -0.375 0.000 0.908 30 L HN -0.400 7.673 8.230 -0.261 0.000 0.438 31 V N -9.990 109.668 119.914 -0.426 0.000 3.170 31 V HA 0.277 nan 4.120 nan 0.000 0.354 31 V C -0.333 175.667 176.094 -0.157 0.000 1.350 31 V CA -2.878 59.248 62.300 -0.290 0.000 1.244 31 V CB -1.619 29.987 31.823 -0.361 0.000 1.222 31 V HN -0.488 7.281 8.190 -0.513 0.114 0.478 32 S N 0.127 115.749 115.700 -0.130 0.000 3.581 32 S HA -0.475 nan 4.470 nan 0.000 0.354 32 S C 0.578 175.143 174.600 -0.058 0.000 1.059 32 S CA 1.089 59.243 58.200 -0.076 0.000 1.060 32 S CB -1.963 61.205 63.200 -0.054 0.000 0.908 32 S HN 0.179 8.224 8.310 -0.149 0.175 0.475 33 G N -3.381 105.380 108.800 -0.065 0.000 2.176 33 G HA2 -0.456 nan 3.960 nan 0.000 0.253 33 G HA3 -0.456 nan 3.960 nan 0.000 0.253 33 G C 0.370 175.250 174.900 -0.035 0.000 0.979 33 G CA 0.385 45.466 45.100 -0.031 0.000 0.641 33 G HN 0.556 8.767 8.290 -0.096 0.021 0.530 34 K N 2.021 122.384 120.400 -0.060 0.000 2.057 34 K HA -0.207 nan 4.320 nan 0.000 0.206 34 K C 1.081 177.632 176.600 -0.081 0.000 1.050 34 K CA 2.815 59.066 56.287 -0.060 0.000 0.935 34 K CB -0.301 32.168 32.500 -0.052 0.000 0.715 34 K HN -0.335 7.695 8.250 -0.080 0.172 0.439 35 L N -1.159 120.024 121.223 -0.067 0.000 1.970 35 L HA -0.344 nan 4.340 nan 0.000 0.212 35 L C 1.673 178.527 176.870 -0.028 0.000 1.071 35 L CA 3.706 58.504 54.840 -0.070 0.000 0.751 35 L CB -0.523 41.544 42.059 0.013 0.000 0.889 35 L HN -0.212 7.973 8.230 -0.076 0.000 0.432 36 R N -1.746 118.827 120.500 0.121 0.000 2.120 36 R HA -0.428 nan 4.340 nan 0.000 0.234 36 R C 1.856 178.160 176.300 0.007 0.000 1.123 36 R CA 3.447 59.642 56.100 0.159 0.000 0.975 36 R CB -0.391 30.025 30.300 0.193 0.000 0.866 36 R HN 0.003 8.710 8.270 0.118 -0.367 0.446 37 E N 0.018 120.199 120.200 -0.032 0.000 2.072 37 E HA -0.278 nan 4.350 nan 0.000 0.191 37 E C 2.227 178.772 176.600 -0.092 0.000 0.985 37 E CA 3.040 59.410 56.400 -0.050 0.000 0.801 37 E CB -0.092 29.582 29.700 -0.044 0.000 0.750 37 E HN -0.594 7.632 8.360 -0.028 0.118 0.452 38 I N 0.426 120.882 120.570 -0.190 0.000 2.406 38 I HA -0.330 nan 4.170 nan 0.000 0.249 38 I C 1.293 177.219 176.117 -0.318 0.000 1.122 38 I CA 2.741 63.875 61.300 -0.277 0.000 1.431 38 I CB 0.203 37.948 38.000 -0.426 0.000 1.087 38 I HN 0.050 8.137 8.210 -0.206 0.000 0.424 39 L N -0.352 120.646 121.223 -0.376 0.000 2.013 39 L HA -0.581 nan 4.340 nan 0.000 0.212 39 L C 2.356 179.236 176.870 0.015 0.000 1.073 39 L CA 3.873 58.658 54.840 -0.091 0.000 0.753 39 L CB -0.531 41.560 42.059 0.053 0.000 0.890 39 L HN 0.170 8.164 8.230 -0.393 0.000 0.432 40 N N -0.298 118.392 118.700 -0.018 0.000 2.058 40 N HA -0.273 nan 4.740 nan 0.000 0.191 40 N C 2.367 177.883 175.510 0.009 0.000 1.037 40 N CA 3.630 56.679 53.050 -0.003 0.000 0.848 40 N CB 0.400 38.880 38.487 -0.013 0.000 1.021 40 N HN 0.009 8.360 8.380 -0.044 0.002 0.422 41 I N -4.784 115.787 120.570 0.001 0.000 3.334 41 I HA -0.083 nan 4.170 nan 0.000 0.282 41 I C 1.192 177.338 176.117 0.048 0.000 1.313 41 I CA 2.152 63.463 61.300 0.018 0.000 1.396 41 I CB -0.390 37.617 38.000 0.011 0.000 1.054 41 I HN -0.216 7.980 8.210 -0.023 0.000 0.495 42 S N -0.996 114.752 115.700 0.080 0.000 2.470 42 S HA -0.026 nan 4.470 nan 0.000 0.225 42 S C 0.698 175.364 174.600 0.109 0.000 1.006 42 S CA 0.917 59.202 58.200 0.142 0.000 0.934 42 S CB 0.793 64.181 63.200 0.314 0.000 0.778 42 S HN -0.049 8.119 8.310 0.066 0.181 0.517 43 G N 2.313 111.161 108.800 0.080 0.000 2.347 43 G HA2 -0.081 nan 3.960 nan 0.000 0.224 43 G HA3 -0.081 nan 3.960 nan 0.000 0.224 43 G C -3.304 171.624 174.900 0.047 0.000 1.318 43 G CA -0.364 44.770 45.100 0.057 0.000 1.016 43 G HN -0.787 7.548 8.290 0.075 0.000 0.469 44 P HA 0.462 nan 4.420 nan 0.000 0.274 44 P C -1.642 175.674 177.300 0.027 0.000 1.231 44 P CA -1.378 61.737 63.100 0.026 0.000 0.790 44 P CB -0.525 31.186 31.700 0.019 0.000 0.951 45 P HA -0.010 nan 4.420 nan 0.000 0.267 45 P C -1.236 176.071 177.300 0.012 0.000 1.205 45 P CA 0.169 63.276 63.100 0.012 0.000 0.765 45 P CB 0.488 32.188 31.700 0.001 0.000 0.828 46 L N 2.956 124.186 121.223 0.013 0.000 2.455 46 L HA -0.066 nan 4.340 nan 0.000 0.272 46 L C 0.369 177.240 176.870 0.001 0.000 1.174 46 L CA 0.093 54.935 54.840 0.005 0.000 0.869 46 L CB -0.128 41.932 42.059 0.001 0.000 1.130 46 L HN 0.124 8.365 8.230 0.018 0.000 0.474 47 K N 1.539 121.940 120.400 0.002 0.000 2.416 47 K HA 0.271 nan 4.320 nan 0.000 0.244 47 K C -0.878 175.724 176.600 0.003 0.000 1.044 47 K CA -1.581 54.710 56.287 0.007 0.000 0.972 47 K CB 1.209 33.716 32.500 0.012 0.000 1.286 47 K HN -0.204 8.046 8.250 0.000 0.000 0.500 48 A N -0.298 122.528 122.820 0.011 0.000 2.524 48 A HA -0.233 nan 4.320 nan 0.000 0.250 48 A C 0.833 178.416 177.584 -0.001 0.000 1.078 48 A CA 1.054 53.094 52.037 0.005 0.000 0.761 48 A CB -1.027 17.983 19.000 0.017 0.000 1.012 48 A HN 0.205 8.367 8.150 0.019 0.000 0.500 49 G N 4.108 112.900 108.800 -0.013 0.000 2.199 49 G HA2 -0.447 nan 3.960 nan 0.000 0.254 49 G HA3 -0.447 nan 3.960 nan 0.000 0.254 49 G C -0.553 174.336 174.900 -0.018 0.000 0.982 49 G CA -0.033 45.060 45.100 -0.011 0.000 0.632 49 G HN 0.638 8.914 8.290 -0.022 0.000 0.529 50 K N 1.626 122.013 120.400 -0.021 0.000 2.144 50 K HA 0.338 nan 4.320 nan 0.000 0.270 50 K C -1.088 175.484 176.600 -0.047 0.000 1.005 50 K CA -0.981 55.289 56.287 -0.028 0.000 0.932 50 K CB 1.260 33.748 32.500 -0.020 0.000 1.021 50 K HN -0.270 7.897 8.250 -0.018 0.072 0.462 51 T N -3.404 111.112 114.554 -0.064 0.000 2.916 51 T HA 0.715 nan 4.350 nan 0.000 0.292 51 T C -1.287 173.327 174.700 -0.144 0.000 1.064 51 T CA -2.742 59.298 62.100 -0.101 0.000 1.011 51 T CB 2.972 71.776 68.868 -0.106 0.000 1.152 51 T HN 0.058 8.263 8.240 -0.058 0.000 0.510 52 R N -0.509 119.847 120.500 -0.241 0.000 2.626 52 R HA 0.381 nan 4.340 nan 0.000 0.274 52 R C -2.144 173.743 176.300 -0.689 0.000 1.031 52 R CA -0.265 55.588 56.100 -0.411 0.000 0.898 52 R CB 4.049 34.121 30.300 -0.380 0.000 1.222 52 R HN 0.318 8.444 8.270 -0.241 0.000 0.455 53 T N 5.743 119.849 114.554 -0.747 0.000 2.807 53 T HA 0.716 nan 4.350 nan 0.000 0.279 53 T C -1.157 172.926 174.700 -1.029 0.000 0.993 53 T CA -0.591 61.033 62.100 -0.793 0.000 0.970 53 T CB 0.832 69.385 68.868 -0.526 0.000 0.950 53 T HN -0.014 7.870 8.240 -0.593 0.000 0.441 54 F N 4.428 124.094 119.950 -0.473 0.000 2.520 54 F HA 0.365 nan 4.527 nan 0.000 0.322 54 F C -1.478 174.073 175.800 -0.416 0.000 1.103 54 F CA -1.854 55.931 58.000 -0.358 0.000 0.926 54 F CB 4.048 42.977 39.000 -0.118 0.000 1.154 54 F HN 0.842 8.806 8.300 -0.560 0.000 0.453 55 Y N 0.367 120.797 120.300 0.217 0.000 2.468 55 Y HA 0.308 nan 4.550 nan 0.000 0.342 55 Y C 0.607 176.592 175.900 0.141 0.000 1.021 55 Y CA -1.294 56.892 58.100 0.143 0.000 1.079 55 Y CB 1.034 39.549 38.460 0.091 0.000 1.226 55 Y HN -0.023 8.406 8.280 0.247 0.000 0.460 56 G N 1.779 110.749 108.800 0.283 0.000 2.160 56 G HA2 -0.476 nan 3.960 nan 0.000 0.251 56 G HA3 -0.476 nan 3.960 nan 0.000 0.251 56 G C -0.383 174.626 174.900 0.182 0.000 1.008 56 G CA 0.982 46.198 45.100 0.193 0.000 0.724 56 G HN 0.547 8.909 8.290 0.300 0.108 0.514 57 L N -2.386 118.982 121.223 0.240 0.000 2.313 57 L HA -0.071 nan 4.340 nan 0.000 0.214 57 L C 0.026 177.079 176.870 0.305 0.000 1.119 57 L CA 0.735 55.722 54.840 0.246 0.000 0.809 57 L CB 0.531 42.785 42.059 0.324 0.000 0.933 57 L HN -0.097 8.266 8.230 0.272 0.030 0.449 58 H N -2.803 116.402 119.070 0.226 0.000 3.085 58 H HA 0.185 nan 4.556 nan 0.000 0.356 58 H C -0.140 175.254 175.328 0.109 0.000 1.178 58 H CA -0.431 55.729 56.048 0.186 0.000 1.214 58 H CB 3.169 33.162 29.762 0.384 0.000 1.881 58 H HN -0.857 7.601 8.280 0.341 0.026 0.538 59 E N 5.244 125.142 120.200 -0.502 0.000 2.097 59 E HA -0.305 nan 4.350 nan 0.000 0.196 59 E C 0.561 176.979 176.600 -0.304 0.000 1.000 59 E CA 3.078 59.266 56.400 -0.353 0.000 0.804 59 E CB -0.165 29.313 29.700 -0.371 0.000 0.740 59 E HN 0.699 8.680 8.360 -0.630 0.000 0.454 60 D N -4.928 115.199 120.400 -0.455 0.000 2.323 60 D HA 0.039 nan 4.640 nan 0.000 0.209 60 D C -0.375 175.568 176.300 -0.595 0.000 0.973 60 D CA 1.823 55.523 54.000 -0.499 0.000 0.874 60 D CB 0.997 41.405 40.800 -0.654 0.000 0.930 60 D HN -0.352 7.542 8.370 -0.795 0.000 0.521 61 F N -2.089 117.985 119.950 0.208 0.000 2.451 61 F HA 0.434 nan 4.527 nan 0.000 0.367 61 F C -2.485 173.392 175.800 0.129 0.000 1.100 61 F CA -3.505 54.575 58.000 0.134 0.000 1.171 61 F CB 0.480 39.540 39.000 0.100 0.000 1.405 61 F HN -0.653 7.523 8.300 0.064 0.162 0.482 62 P HA -0.055 nan 4.420 nan 0.000 0.223 62 P C -0.711 176.744 177.300 0.258 0.000 1.151 62 P CA 1.057 64.276 63.100 0.199 0.000 0.787 62 P CB 0.448 32.228 31.700 0.133 0.000 0.788 63 S N -1.647 114.177 115.700 0.207 0.000 2.552 63 S HA 0.432 nan 4.470 nan 0.000 0.314 63 S C -2.086 172.510 174.600 -0.007 0.000 1.099 63 S CA 0.083 58.344 58.200 0.101 0.000 1.070 63 S CB 1.963 65.227 63.200 0.107 0.000 0.998 63 S HN -0.659 7.751 8.310 0.203 0.021 0.474 64 V N 6.572 126.429 119.914 -0.094 0.000 2.417 64 V HA 0.622 nan 4.120 nan 0.000 0.291 64 V C -1.769 174.189 176.094 -0.227 0.000 1.024 64 V CA -0.701 61.485 62.300 -0.190 0.000 0.861 64 V CB 2.571 34.308 31.823 -0.143 0.000 0.985 64 V HN 0.773 8.897 8.190 -0.109 0.000 0.436 65 V N 7.860 127.625 119.914 -0.247 0.000 2.357 65 V HA 0.621 nan 4.120 nan 0.000 0.284 65 V C -1.147 174.825 176.094 -0.204 0.000 1.018 65 V CA -1.342 60.806 62.300 -0.254 0.000 0.841 65 V CB 1.133 32.835 31.823 -0.200 0.000 0.991 65 V HN 0.781 8.813 8.190 -0.263 0.000 0.437 66 V N 7.872 127.686 119.914 -0.167 0.000 2.439 66 V HA 0.645 nan 4.120 nan 0.000 0.282 66 V C -1.273 174.778 176.094 -0.073 0.000 1.039 66 V CA -0.810 61.460 62.300 -0.049 0.000 0.913 66 V CB 0.705 32.624 31.823 0.161 0.000 0.983 66 V HN 0.623 8.652 8.190 -0.269 0.000 0.460 67 V N 1.699 121.573 119.914 -0.067 0.000 2.588 67 V HA 0.842 nan 4.120 nan 0.000 0.304 67 V C -0.596 175.452 176.094 -0.077 0.000 1.042 67 V CA -3.245 59.009 62.300 -0.077 0.000 0.877 67 V CB 2.789 34.558 31.823 -0.090 0.000 0.996 67 V HN 0.865 9.018 8.190 -0.061 0.000 0.425 68 G N 4.295 113.059 108.800 -0.061 0.000 2.356 68 G HA2 0.306 nan 3.960 nan 0.000 0.273 68 G HA3 0.306 nan 3.960 nan 0.000 0.273 68 G C -0.470 174.386 174.900 -0.074 0.000 1.213 68 G CA 0.180 45.244 45.100 -0.060 0.000 0.955 68 G HN 0.776 9.035 8.290 -0.052 0.000 0.454 69 L N 3.703 124.852 121.223 -0.123 0.000 2.567 69 L HA -0.055 nan 4.340 nan 0.000 0.225 69 L C 0.014 176.907 176.870 0.038 0.000 1.119 69 L CA -0.284 54.503 54.840 -0.089 0.000 0.871 69 L CB -0.104 41.814 42.059 -0.235 0.000 1.036 69 L HN 0.541 8.666 8.230 -0.176 0.000 0.459 70 G N -2.472 106.368 108.800 0.067 0.000 2.615 70 G HA2 -0.364 nan 3.960 nan 0.000 0.218 70 G HA3 -0.364 nan 3.960 nan 0.000 0.218 70 G C -1.037 173.974 174.900 0.185 0.000 1.339 70 G CA -0.545 44.614 45.100 0.099 0.000 0.884 70 G HN -0.721 7.592 8.290 0.038 0.000 0.559 71 K N 3.008 123.483 120.400 0.124 0.000 2.349 71 K HA 0.031 nan 4.320 nan 0.000 0.288 71 K C 0.866 177.491 176.600 0.042 0.000 1.058 71 K CA -0.743 55.593 56.287 0.082 0.000 0.953 71 K CB 0.163 32.683 32.500 0.033 0.000 0.997 71 K HN 0.380 8.685 8.250 0.092 0.000 0.477 72 K N 5.678 125.979 120.400 -0.166 0.000 2.173 72 K HA -0.318 nan 4.320 nan 0.000 0.207 72 K C 0.705 177.190 176.600 -0.192 0.000 1.046 72 K CA 2.763 58.758 56.287 -0.486 0.000 0.929 72 K CB -0.206 31.764 32.500 -0.884 0.000 0.720 72 K HN 0.746 8.896 8.250 -0.167 0.000 0.453 73 T N -1.153 113.333 114.554 -0.114 0.000 3.113 73 T HA -0.064 nan 4.350 nan 0.000 0.263 73 T C -0.029 174.660 174.700 -0.018 0.000 1.143 73 T CA -0.271 61.793 62.100 -0.061 0.000 1.090 73 T CB -0.326 68.511 68.868 -0.052 0.000 0.922 73 T HN -0.493 7.650 8.240 -0.111 0.031 0.521 74 A N 1.804 124.630 122.820 0.009 0.000 2.546 74 A HA -0.001 nan 4.320 nan 0.000 0.243 74 A C -1.304 176.287 177.584 0.012 0.000 1.063 74 A CA 0.711 52.763 52.037 0.026 0.000 0.757 74 A CB 0.705 19.738 19.000 0.055 0.000 0.991 74 A HN -0.356 7.735 8.150 0.012 0.066 0.503 75 G N 1.106 109.859 108.800 -0.079 0.000 3.253 75 G HA2 0.313 nan 3.960 nan 0.000 0.175 75 G HA3 0.313 nan 3.960 nan 0.000 0.175 75 G C -2.181 172.467 174.900 -0.421 0.000 1.098 75 G CA -1.056 43.859 45.100 -0.309 0.000 0.790 75 G HN 0.188 8.450 8.290 -0.047 0.000 0.648 76 I N 0.179 120.545 120.570 -0.341 0.000 2.441 76 I HA 0.049 nan 4.170 nan 0.000 0.287 76 I C -1.191 174.922 176.117 -0.008 0.000 1.049 76 I CA 0.377 61.577 61.300 -0.168 0.000 1.381 76 I CB 0.942 38.869 38.000 -0.121 0.000 1.409 76 I HN -0.062 7.992 8.210 -0.260 0.000 0.523 77 D N 7.824 128.292 120.400 0.113 0.000 2.274 77 D HA 0.132 nan 4.640 nan 0.000 0.239 77 D C -0.168 176.183 176.300 0.086 0.000 1.104 77 D CA -1.353 52.718 54.000 0.119 0.000 0.840 77 D CB 1.981 42.907 40.800 0.209 0.000 1.100 77 D HN 0.258 8.752 8.370 0.208 0.000 0.477 78 E N 5.492 125.731 120.200 0.065 0.000 2.106 78 E HA -0.279 nan 4.350 nan 0.000 0.192 78 E C 1.314 177.959 176.600 0.074 0.000 0.984 78 E CA 2.913 59.357 56.400 0.073 0.000 0.806 78 E CB 0.178 29.913 29.700 0.058 0.000 0.750 78 E HN 0.512 8.905 8.360 0.055 0.000 0.458 79 Q N -2.007 117.822 119.800 0.049 0.000 2.096 79 Q HA -0.131 nan 4.340 nan 0.000 0.197 79 Q C 1.453 177.449 176.000 -0.007 0.000 0.964 79 Q CA 1.815 57.639 55.803 0.035 0.000 0.838 79 Q CB 0.026 28.774 28.738 0.017 0.000 0.906 79 Q HN -0.308 8.141 8.270 0.046 -0.151 0.444 80 E N -3.041 117.103 120.200 -0.093 0.000 2.435 80 E HA 0.017 nan 4.350 nan 0.000 0.195 80 E C -0.400 175.960 176.600 -0.399 0.000 1.029 80 E CA -0.325 55.864 56.400 -0.352 0.000 0.865 80 E CB 0.408 29.743 29.700 -0.607 0.000 0.833 80 E HN -0.601 8.029 8.360 -0.041 -0.295 0.510 81 N N -1.127 117.512 118.700 -0.101 0.000 2.727 81 N HA -0.431 nan 4.740 nan 0.000 0.251 81 N C -1.941 173.573 175.510 0.005 0.000 1.040 81 N CA 0.651 53.714 53.050 0.022 0.000 0.712 81 N CB -1.440 37.177 38.487 0.216 0.000 0.912 81 N HN 0.072 8.398 8.380 -0.019 0.043 0.545 82 W N -6.453 114.852 121.300 0.008 0.000 3.005 82 W HA 0.377 nan 4.660 nan 0.000 0.343 82 W C -2.513 174.014 176.519 0.013 0.000 1.243 82 W CA -3.102 54.243 57.345 0.001 0.000 1.186 82 W CB 0.387 29.872 29.460 0.042 0.000 1.453 82 W HN -0.881 7.423 8.180 0.207 0.000 0.575 83 H N 2.031 121.219 119.070 0.197 0.000 2.864 83 H HA -0.018 nan 4.556 nan 0.000 0.281 83 H C 0.374 175.623 175.328 -0.132 0.000 1.093 83 H CA -0.321 55.751 56.048 0.041 0.000 1.453 83 H CB 1.498 31.245 29.762 -0.026 0.000 1.462 83 H HN 0.119 8.596 8.280 0.329 0.000 0.480 84 E N 9.022 129.240 120.200 0.029 0.000 2.072 84 E HA -0.349 nan 4.350 nan 0.000 0.191 84 E C 1.749 178.322 176.600 -0.046 0.000 0.985 84 E CA 2.934 59.264 56.400 -0.117 0.000 0.801 84 E CB 0.133 29.869 29.700 0.060 0.000 0.750 84 E HN 0.506 8.879 8.360 0.023 0.000 0.452 85 G N -1.264 107.650 108.800 0.189 0.000 2.418 85 G HA2 -0.329 nan 3.960 nan 0.000 0.217 85 G HA3 -0.329 nan 3.960 nan 0.000 0.217 85 G C 1.182 176.065 174.900 -0.028 0.000 1.158 85 G CA 2.198 47.374 45.100 0.125 0.000 0.771 85 G HN -0.327 8.122 8.290 0.265 0.000 0.545 86 K N 1.551 121.875 120.400 -0.127 0.000 2.097 86 K HA -0.268 nan 4.320 nan 0.000 0.205 86 K C 2.291 178.740 176.600 -0.252 0.000 1.050 86 K CA 3.600 59.727 56.287 -0.266 0.000 0.938 86 K CB -0.362 31.912 32.500 -0.375 0.000 0.718 86 K HN -0.247 8.008 8.250 0.037 0.017 0.442 87 E N -0.447 119.579 120.200 -0.289 0.000 2.051 87 E HA -0.326 nan 4.350 nan 0.000 0.192 87 E C 2.301 178.772 176.600 -0.215 0.000 0.991 87 E CA 2.903 59.096 56.400 -0.345 0.000 0.799 87 E CB -0.582 28.661 29.700 -0.761 0.000 0.748 87 E HN -0.603 7.584 8.360 -0.288 0.000 0.449 88 N N 0.349 118.949 118.700 -0.166 0.000 2.061 88 N HA -0.331 nan 4.740 nan 0.000 0.193 88 N C 2.524 177.982 175.510 -0.088 0.000 1.030 88 N CA 3.026 56.023 53.050 -0.087 0.000 0.856 88 N CB 0.062 38.528 38.487 -0.035 0.000 1.023 88 N HN 0.001 8.274 8.380 -0.178 0.000 0.424 89 I N 0.422 120.925 120.570 -0.111 0.000 2.226 89 I HA -0.559 nan 4.170 nan 0.000 0.245 89 I C 1.711 177.726 176.117 -0.171 0.000 1.100 89 I CA 4.324 65.550 61.300 -0.124 0.000 1.374 89 I CB -0.309 37.615 38.000 -0.126 0.000 1.057 89 I HN -0.003 8.140 8.210 -0.111 0.000 0.413 90 R N -1.113 119.227 120.500 -0.266 0.000 2.070 90 R HA -0.388 nan 4.340 nan 0.000 0.233 90 R C 2.147 178.323 176.300 -0.208 0.000 1.137 90 R CA 3.834 59.689 56.100 -0.409 0.000 0.945 90 R CB -0.394 29.362 30.300 -0.907 0.000 0.845 90 R HN 0.183 8.286 8.270 -0.277 0.000 0.430 91 A N -1.328 121.468 122.820 -0.039 0.000 1.892 91 A HA -0.263 nan 4.320 nan 0.000 0.218 91 A C 1.982 179.576 177.584 0.017 0.000 1.188 91 A CA 3.012 55.108 52.037 0.098 0.000 0.631 91 A CB -0.864 18.185 19.000 0.082 0.000 0.822 91 A HN -0.015 8.089 8.150 -0.075 0.000 0.447 92 A N -2.896 119.904 122.820 -0.032 0.000 1.897 92 A HA -0.178 nan 4.320 nan 0.000 0.215 92 A C 2.208 179.762 177.584 -0.051 0.000 1.181 92 A CA 3.000 55.010 52.037 -0.044 0.000 0.620 92 A CB -0.378 18.584 19.000 -0.064 0.000 0.821 92 A HN -0.063 8.056 8.150 -0.052 0.000 0.443 93 V N -0.348 119.528 119.914 -0.063 0.000 2.358 93 V HA -0.446 nan 4.120 nan 0.000 0.246 93 V C 1.818 177.892 176.094 -0.032 0.000 1.047 93 V CA 4.183 66.451 62.300 -0.052 0.000 1.035 93 V CB -1.174 30.616 31.823 -0.055 0.000 0.658 93 V HN -0.136 8.007 8.190 -0.079 0.000 0.452 94 A N -1.257 121.550 122.820 -0.020 0.000 1.908 94 A HA -0.384 nan 4.320 nan 0.000 0.218 94 A C 1.719 179.312 177.584 0.015 0.000 1.181 94 A CA 3.489 55.537 52.037 0.017 0.000 0.627 94 A CB -0.895 18.152 19.000 0.079 0.000 0.818 94 A HN 0.076 8.205 8.150 -0.035 0.000 0.445 95 A N -2.822 120.001 122.820 0.005 0.000 1.969 95 A HA -0.222 nan 4.320 nan 0.000 0.218 95 A C 2.338 179.904 177.584 -0.030 0.000 1.169 95 A CA 2.756 54.788 52.037 -0.009 0.000 0.635 95 A CB -0.593 18.398 19.000 -0.016 0.000 0.810 95 A HN -0.301 7.851 8.150 0.004 0.000 0.445 96 G N -1.904 106.870 108.800 -0.044 0.000 2.394 96 G HA2 -0.311 nan 3.960 nan 0.000 0.214 96 G HA3 -0.311 nan 3.960 nan 0.000 0.214 96 G C 0.729 175.599 174.900 -0.050 0.000 1.176 96 G CA 1.789 46.850 45.100 -0.066 0.000 0.786 96 G HN -0.261 7.921 8.290 -0.041 0.084 0.533 97 C N 2.388 121.672 119.300 -0.027 0.000 2.425 97 C HA -0.267 nan 4.460 nan 0.000 0.277 97 C C 2.345 177.333 174.990 -0.003 0.000 1.280 97 C CA 3.508 62.521 59.018 -0.008 0.000 1.744 97 C CB -1.730 26.018 27.740 0.014 0.000 1.989 97 C HN 0.181 8.397 8.230 -0.023 0.000 0.491 98 R N -1.251 119.248 120.500 -0.002 0.000 2.148 98 R HA -0.261 nan 4.340 nan 0.000 0.223 98 R C 2.392 178.688 176.300 -0.007 0.000 1.088 98 R CA 3.609 59.710 56.100 0.001 0.000 0.985 98 R CB -0.387 29.918 30.300 0.007 0.000 0.880 98 R HN -0.039 8.215 8.270 -0.003 0.014 0.451 99 Q N -0.169 119.619 119.800 -0.021 0.000 2.119 99 Q HA -0.218 nan 4.340 nan 0.000 0.201 99 Q C 2.595 178.589 176.000 -0.010 0.000 0.972 99 Q CA 2.925 58.713 55.803 -0.024 0.000 0.847 99 Q CB -0.632 28.073 28.738 -0.056 0.000 0.903 99 Q HN -0.712 7.452 8.270 -0.029 0.088 0.433 100 I N -0.067 120.495 120.570 -0.014 0.000 2.315 100 I HA -0.351 nan 4.170 nan 0.000 0.248 100 I C 1.951 178.076 176.117 0.013 0.000 1.117 100 I CA 1.857 63.158 61.300 0.002 0.000 1.404 100 I CB -1.021 36.975 38.000 -0.005 0.000 1.071 100 I HN -0.261 7.860 8.210 -0.026 0.074 0.419 101 Q N 0.422 120.227 119.800 0.008 0.000 2.123 101 Q HA -0.337 nan 4.340 nan 0.000 0.199 101 Q C 2.639 178.643 176.000 0.006 0.000 0.966 101 Q CA 3.538 59.345 55.803 0.007 0.000 0.845 101 Q CB -0.102 28.637 28.738 0.003 0.000 0.907 101 Q HN -0.082 8.190 8.270 0.004 0.000 0.439 102 D N 1.500 121.904 120.400 0.007 0.000 2.218 102 D HA -0.238 nan 4.640 nan 0.000 0.204 102 D C 1.632 177.941 176.300 0.015 0.000 0.976 102 D CA 2.945 56.949 54.000 0.008 0.000 0.853 102 D CB -0.237 40.568 40.800 0.007 0.000 0.939 102 D HN -0.185 8.187 8.370 0.005 0.000 0.481 103 L N -2.996 118.244 121.223 0.028 0.000 2.645 103 L HA -0.027 nan 4.340 nan 0.000 0.235 103 L C -0.770 176.114 176.870 0.024 0.000 1.150 103 L CA -0.146 54.716 54.840 0.037 0.000 0.911 103 L CB -0.551 41.554 42.059 0.076 0.000 1.077 103 L HN -0.740 7.498 8.230 0.029 0.009 0.438 104 E N -5.092 115.117 120.200 0.015 0.000 2.539 104 E HA -0.397 nan 4.350 nan 0.000 0.253 104 E C -0.452 176.157 176.600 0.015 0.000 1.145 104 E CA 0.925 57.331 56.400 0.009 0.000 0.738 104 E CB -2.124 27.577 29.700 0.003 0.000 1.308 104 E HN -0.186 7.977 8.360 0.012 0.204 0.409 105 I N -0.037 120.547 120.570 0.024 0.000 2.441 105 I HA 0.068 nan 4.170 nan 0.000 0.287 105 I C -1.192 174.940 176.117 0.026 0.000 1.049 105 I CA -1.851 59.468 61.300 0.031 0.000 1.381 105 I CB 0.513 38.540 38.000 0.045 0.000 1.409 105 I HN -0.647 7.556 8.210 0.026 0.022 0.523 106 P HA 0.169 nan 4.420 nan 0.000 0.245 106 P C -1.839 175.480 177.300 0.031 0.000 1.203 106 P CA 0.419 63.532 63.100 0.022 0.000 0.792 106 P CB 0.514 32.224 31.700 0.016 0.000 0.997 107 S N -3.080 112.644 115.700 0.041 0.000 2.564 107 S HA 0.635 nan 4.470 nan 0.000 0.274 107 S C -2.288 172.345 174.600 0.056 0.000 1.124 107 S CA -1.221 57.008 58.200 0.048 0.000 0.869 107 S CB 2.932 66.161 63.200 0.049 0.000 1.105 107 S HN -0.682 7.655 8.310 0.044 0.000 0.472 108 V N 0.020 119.964 119.914 0.049 0.000 2.777 108 V HA 0.521 nan 4.120 nan 0.000 0.306 108 V C -2.546 173.550 176.094 0.002 0.000 1.112 108 V CA -0.993 61.322 62.300 0.026 0.000 0.917 108 V CB 3.849 35.681 31.823 0.015 0.000 1.018 108 V HN 0.678 8.899 8.190 0.052 0.000 0.426 109 E N 8.086 128.260 120.200 -0.043 0.000 2.200 109 E HA 0.546 nan 4.350 nan 0.000 0.283 109 E C -1.658 174.829 176.600 -0.189 0.000 1.015 109 E CA -0.870 55.470 56.400 -0.100 0.000 0.819 109 E CB 1.881 31.550 29.700 -0.051 0.000 1.081 109 E HN 0.200 8.533 8.360 -0.045 0.000 0.397 110 V N 4.952 124.755 119.914 -0.185 0.000 2.495 110 V HA 0.390 nan 4.120 nan 0.000 0.298 110 V C -1.340 174.674 176.094 -0.134 0.000 1.031 110 V CA -1.798 60.430 62.300 -0.120 0.000 0.871 110 V CB 2.248 34.146 31.823 0.124 0.000 0.988 110 V HN 0.644 8.673 8.190 -0.269 0.000 0.432 111 D N 8.360 128.682 120.400 -0.130 0.000 2.389 111 D HA 0.208 nan 4.640 nan 0.000 0.247 111 D C -1.318 174.988 176.300 0.009 0.000 1.128 111 D CA -1.963 51.991 54.000 -0.076 0.000 0.884 111 D CB 0.681 41.391 40.800 -0.150 0.000 1.194 111 D HN -0.286 7.975 8.370 -0.182 0.000 0.441 112 P HA 0.001 nan 4.420 nan 0.000 0.233 112 P C -0.315 177.018 177.300 0.054 0.000 1.167 112 P CA 0.200 63.358 63.100 0.096 0.000 0.770 112 P CB 0.429 32.175 31.700 0.076 0.000 0.837 113 C N -2.970 116.344 119.300 0.023 0.000 4.233 113 C HA -0.403 nan 4.460 nan 0.000 0.292 113 C C 0.584 175.609 174.990 0.058 0.000 1.469 113 C CA 0.938 59.965 59.018 0.014 0.000 2.013 113 C CB -2.750 24.973 27.740 -0.029 0.000 1.282 113 C HN 0.285 8.773 8.230 0.014 -0.250 0.796 114 G N -2.365 106.469 108.800 0.057 0.000 2.195 114 G HA2 -0.388 nan 3.960 nan 0.000 0.246 114 G HA3 -0.388 nan 3.960 nan 0.000 0.246 114 G C -0.998 173.906 174.900 0.006 0.000 0.984 114 G CA 0.392 45.524 45.100 0.054 0.000 0.633 114 G HN 0.329 8.610 8.290 0.049 0.038 0.525 115 D N 0.631 121.023 120.400 -0.013 0.000 2.445 115 D HA 0.227 nan 4.640 nan 0.000 0.236 115 D C -0.819 175.449 176.300 -0.053 0.000 1.315 115 D CA 0.062 54.024 54.000 -0.063 0.000 0.924 115 D CB 0.806 41.532 40.800 -0.124 0.000 1.447 115 D HN -0.143 8.054 8.370 0.001 0.174 0.532 116 A N 4.951 127.773 122.820 0.002 0.000 1.986 116 A HA -0.349 nan 4.320 nan 0.000 0.220 116 A C 1.339 178.897 177.584 -0.043 0.000 1.171 116 A CA 2.967 55.064 52.037 0.101 0.000 0.640 116 A CB -0.065 19.024 19.000 0.148 0.000 0.811 116 A HN 0.499 8.649 8.150 -0.000 0.000 0.451 117 Q N -1.297 118.401 119.800 -0.169 0.000 2.046 117 Q HA -0.289 nan 4.340 nan 0.000 0.200 117 Q C 1.849 177.629 176.000 -0.366 0.000 0.975 117 Q CA 3.076 58.686 55.803 -0.321 0.000 0.836 117 Q CB -0.098 28.410 28.738 -0.382 0.000 0.896 117 Q HN -0.232 8.021 8.270 -0.146 -0.071 0.428 118 A N -1.582 121.053 122.820 -0.308 0.000 2.016 118 A HA -0.124 nan 4.320 nan 0.000 0.217 118 A C 1.767 179.170 177.584 -0.302 0.000 1.162 118 A CA 2.386 54.227 52.037 -0.326 0.000 0.662 118 A CB -0.816 18.004 19.000 -0.300 0.000 0.812 118 A HN -0.562 7.643 8.150 -0.255 -0.208 0.450 119 A N -1.932 120.756 122.820 -0.219 0.000 1.968 119 A HA -0.209 nan 4.320 nan 0.000 0.217 119 A C 1.609 179.001 177.584 -0.321 0.000 1.169 119 A CA 2.757 54.712 52.037 -0.136 0.000 0.638 119 A CB -0.664 18.378 19.000 0.070 0.000 0.812 119 A HN 0.033 8.063 8.150 -0.172 0.017 0.446 120 A N -1.136 121.268 122.820 -0.694 0.000 1.873 120 A HA -0.303 nan 4.320 nan 0.000 0.215 120 A C 2.009 179.224 177.584 -0.615 0.000 1.186 120 A CA 3.137 54.456 52.037 -1.195 0.000 0.616 120 A CB -0.789 17.348 19.000 -1.440 0.000 0.823 120 A HN -0.047 7.773 8.150 -0.551 0.000 0.442 121 E N -1.378 118.538 120.200 -0.474 0.000 2.097 121 E HA -0.475 nan 4.350 nan 0.000 0.196 121 E C 2.825 179.232 176.600 -0.322 0.000 1.000 121 E CA 2.972 59.162 56.400 -0.350 0.000 0.804 121 E CB -0.152 29.332 29.700 -0.360 0.000 0.740 121 E HN -0.128 7.934 8.360 -0.497 0.000 0.454 122 G N -1.898 106.698 108.800 -0.341 0.000 2.418 122 G HA2 -0.301 nan 3.960 nan 0.000 0.217 122 G HA3 -0.301 nan 3.960 nan 0.000 0.217 122 G C 0.815 175.643 174.900 -0.121 0.000 1.158 122 G CA 1.859 46.800 45.100 -0.265 0.000 0.771 122 G HN 0.336 8.304 8.290 -0.354 0.109 0.545 123 A N 1.458 124.209 122.820 -0.115 0.000 1.855 123 A HA -0.126 nan 4.320 nan 0.000 0.215 123 A C 2.263 179.840 177.584 -0.013 0.000 1.191 123 A CA 3.071 55.091 52.037 -0.028 0.000 0.613 123 A CB -0.541 18.481 19.000 0.037 0.000 0.829 123 A HN -0.382 7.658 8.150 -0.183 0.000 0.442 124 V N -1.100 118.774 119.914 -0.067 0.000 2.548 124 V HA -0.296 nan 4.120 nan 0.000 0.249 124 V C 2.013 178.132 176.094 0.042 0.000 1.055 124 V CA 3.681 65.973 62.300 -0.013 0.000 1.065 124 V CB -0.641 31.134 31.823 -0.080 0.000 0.681 124 V HN 0.027 8.122 8.190 -0.159 0.000 0.462 125 L N -0.955 120.280 121.223 0.020 0.000 2.072 125 L HA -0.065 nan 4.340 nan 0.000 0.205 125 L C 2.541 179.508 176.870 0.161 0.000 1.079 125 L CA 1.769 56.667 54.840 0.097 0.000 0.752 125 L CB -0.982 41.148 42.059 0.118 0.000 0.906 125 L HN 0.019 8.221 8.230 -0.048 0.000 0.436 126 G N -0.790 108.079 108.800 0.115 0.000 2.418 126 G HA2 -0.281 nan 3.960 nan 0.000 0.217 126 G HA3 -0.281 nan 3.960 nan 0.000 0.217 126 G C 1.394 176.351 174.900 0.095 0.000 1.158 126 G CA 2.138 47.303 45.100 0.109 0.000 0.771 126 G HN 0.291 8.514 8.290 0.063 0.104 0.545 127 L N -1.320 119.956 121.223 0.088 0.000 2.591 127 L HA 0.010 nan 4.340 nan 0.000 0.228 127 L C -0.267 176.647 176.870 0.074 0.000 1.133 127 L CA -0.629 54.251 54.840 0.066 0.000 0.880 127 L CB -0.106 41.986 42.059 0.055 0.000 1.033 127 L HN -0.564 7.716 8.230 0.083 0.000 0.450 128 Y N 0.351 120.672 120.300 0.036 0.000 2.411 128 Y HA -0.153 nan 4.550 nan 0.000 0.333 128 Y C -0.172 175.759 175.900 0.051 0.000 1.186 128 Y CA 0.661 58.787 58.100 0.043 0.000 1.381 128 Y CB 1.623 40.113 38.460 0.050 0.000 1.273 128 Y HN -0.889 7.474 8.280 0.236 0.058 0.546 129 E N 7.548 127.131 120.200 -1.029 0.000 2.535 129 E HA -0.092 nan 4.350 nan 0.000 0.216 129 E C -1.405 174.934 176.600 -0.436 0.000 0.845 129 E CA -0.531 55.473 56.400 -0.660 0.000 1.306 129 E CB 0.958 30.470 29.700 -0.313 0.000 1.291 129 E HN 0.357 7.982 8.360 -1.226 0.000 0.635 130 Y N -0.620 119.381 120.300 -0.498 0.000 2.942 130 Y HA -0.263 nan 4.550 nan 0.000 0.149 130 Y C -1.913 173.933 175.900 -0.091 0.000 1.751 130 Y CA 0.252 58.273 58.100 -0.131 0.000 0.938 130 Y CB -0.098 38.379 38.460 0.028 0.000 1.525 130 Y HN -0.226 7.686 8.280 -0.614 0.000 0.350 131 D N -2.524 117.575 120.400 -0.501 0.000 2.563 131 D HA 0.159 nan 4.640 nan 0.000 0.237 131 D C 0.399 176.456 176.300 -0.405 0.000 1.282 131 D CA -0.634 53.158 54.000 -0.346 0.000 0.816 131 D CB 0.097 40.779 40.800 -0.196 0.000 1.066 131 D HN -0.316 7.738 8.370 -0.526 0.000 0.501 132 D N 2.283 122.290 120.400 -0.654 0.000 2.157 132 D HA -0.343 nan 4.640 nan 0.000 0.191 132 D C 1.083 177.250 176.300 -0.222 0.000 1.004 132 D CA 2.736 56.486 54.000 -0.417 0.000 0.854 132 D CB -0.275 40.242 40.800 -0.473 0.000 0.936 132 D HN 0.366 8.112 8.370 -1.041 0.000 0.446 133 L N -5.187 115.922 121.223 -0.189 0.000 2.741 133 L HA 0.041 nan 4.340 nan 0.000 0.237 133 L C -0.524 176.310 176.870 -0.060 0.000 1.178 133 L CA -0.505 54.292 54.840 -0.072 0.000 0.973 133 L CB 0.270 42.327 42.059 -0.004 0.000 1.255 133 L HN -0.600 7.462 8.230 -0.280 0.000 0.498 134 K N 0.140 120.486 120.400 -0.089 0.000 2.098 134 K HA 0.190 nan 4.320 nan 0.000 0.258 134 K C 0.612 177.177 176.600 -0.057 0.000 0.973 134 K CA -0.711 55.539 56.287 -0.062 0.000 0.898 134 K CB 1.701 34.160 32.500 -0.068 0.000 1.057 134 K HN -0.279 7.718 8.250 -0.136 0.171 0.447 135 Q N 2.383 122.159 119.800 -0.039 0.000 2.354 135 Q HA -0.096 nan 4.340 nan 0.000 0.203 135 Q C 0.512 176.490 176.000 -0.037 0.000 0.933 135 Q CA 2.122 57.904 55.803 -0.035 0.000 0.901 135 Q CB 0.252 28.975 28.738 -0.025 0.000 1.007 135 Q HN 0.446 8.697 8.270 -0.031 0.000 0.495 136 K N 1.988 122.366 120.400 -0.037 0.000 2.183 136 K HA 0.095 nan 4.320 nan 0.000 0.272 136 K C -1.215 175.355 176.600 -0.049 0.000 1.113 136 K CA -0.651 55.614 56.287 -0.036 0.000 0.949 136 K CB -1.106 31.377 32.500 -0.028 0.000 1.365 136 K HN -0.024 8.180 8.250 -0.035 0.025 0.420 137 R N 0.958 121.426 120.500 -0.054 0.000 2.643 137 R HA 0.521 nan 4.340 nan 0.000 0.272 137 R C 0.008 176.273 176.300 -0.058 0.000 0.995 137 R CA -1.222 54.836 56.100 -0.069 0.000 1.032 137 R CB 1.129 31.383 30.300 -0.076 0.000 1.126 137 R HN -0.368 7.874 8.270 -0.047 0.000 0.505 138 K N 1.696 122.056 120.400 -0.066 0.000 2.107 138 K HA 0.027 nan 4.320 nan 0.000 0.251 138 K C -0.188 176.385 176.600 -0.044 0.000 1.012 138 K CA -0.595 55.661 56.287 -0.051 0.000 0.920 138 K CB 0.949 33.415 32.500 -0.058 0.000 1.033 138 K HN 0.202 8.779 8.250 -0.085 -0.378 0.478 139 V N 0.463 120.359 119.914 -0.030 0.000 2.572 139 V HA -0.051 nan 4.120 nan 0.000 0.291 139 V C -0.157 175.923 176.094 -0.023 0.000 1.039 139 V CA 0.321 62.607 62.300 -0.022 0.000 1.055 139 V CB 0.365 32.182 31.823 -0.010 0.000 0.969 139 V HN 0.026 8.201 8.190 -0.025 0.000 0.482 140 V N 7.350 127.251 119.914 -0.021 0.000 2.364 140 V HA 0.235 nan 4.120 nan 0.000 0.272 140 V C -0.891 175.205 176.094 0.003 0.000 1.036 140 V CA -0.287 62.004 62.300 -0.016 0.000 0.880 140 V CB 0.581 32.391 31.823 -0.022 0.000 0.991 140 V HN 0.083 8.260 8.190 -0.020 0.000 0.460 141 V N 4.661 124.582 119.914 0.012 0.000 2.837 141 V HA 0.728 nan 4.120 nan 0.000 0.310 141 V C -1.969 174.149 176.094 0.040 0.000 1.059 141 V CA -2.876 59.439 62.300 0.025 0.000 1.004 141 V CB 2.536 34.375 31.823 0.025 0.000 1.045 141 V HN 0.150 8.346 8.190 0.010 0.000 0.465 142 S N 2.148 117.878 115.700 0.049 0.000 2.498 142 S HA 0.378 nan 4.470 nan 0.000 0.317 142 S C -0.843 173.809 174.600 0.086 0.000 1.090 142 S CA -1.559 56.682 58.200 0.068 0.000 1.089 142 S CB 2.109 65.344 63.200 0.059 0.000 0.997 142 S HN 0.281 8.522 8.310 0.044 0.095 0.470 143 A N 5.183 128.080 122.820 0.128 0.000 2.401 143 A HA 0.324 nan 4.320 nan 0.000 0.259 143 A C -1.105 176.622 177.584 0.239 0.000 1.103 143 A CA -0.250 51.902 52.037 0.191 0.000 0.789 143 A CB 0.499 19.657 19.000 0.264 0.000 1.035 143 A HN 0.648 8.874 8.150 0.127 0.000 0.491 144 K N 1.223 121.673 120.400 0.084 0.000 2.469 144 K HA 0.234 nan 4.320 nan 0.000 0.254 144 K C -1.871 174.316 176.600 -0.688 0.000 0.939 144 K CA -1.824 54.383 56.287 -0.134 0.000 0.812 144 K CB 4.598 37.044 32.500 -0.090 0.000 1.301 144 K HN 0.242 8.505 8.250 0.021 0.000 0.433 145 L N 1.830 122.192 121.223 -1.436 0.000 2.490 145 L HA -0.040 nan 4.340 nan 0.000 0.274 145 L C -1.054 175.451 176.870 -0.608 0.000 1.201 145 L CA 0.796 54.724 54.840 -1.519 0.000 0.869 145 L CB 0.346 41.641 42.059 -1.274 0.000 1.123 145 L HN 0.157 7.546 8.230 -1.402 0.000 0.484 146 H N 8.009 126.780 119.070 -0.499 0.000 3.004 146 H HA 0.039 nan 4.556 nan 0.000 0.267 146 H C -0.158 175.033 175.328 -0.229 0.000 1.165 146 H CA 0.407 56.278 56.048 -0.295 0.000 1.450 146 H CB -0.123 29.478 29.762 -0.269 0.000 1.488 146 H HN 0.445 8.500 8.280 -0.374 0.000 0.478 147 G N 5.688 114.261 108.800 -0.378 0.000 2.384 147 G HA2 -0.200 nan 3.960 nan 0.000 0.668 147 G HA3 -0.200 nan 3.960 nan 0.000 0.668 147 G C -1.663 173.115 174.900 -0.203 0.000 1.280 147 G CA -0.525 44.394 45.100 -0.303 0.000 0.992 147 G HN -0.722 7.376 8.290 -0.320 0.000 0.512 148 S N -1.487 114.127 115.700 -0.143 0.000 2.632 148 S HA 0.164 nan 4.470 nan 0.000 0.237 148 S C 0.852 175.412 174.600 -0.066 0.000 1.037 148 S CA 0.399 58.539 58.200 -0.099 0.000 1.009 148 S CB 1.118 64.270 63.200 -0.079 0.000 0.974 148 S HN 0.065 8.294 8.310 -0.135 0.000 0.544 149 E N 3.160 123.322 120.200 -0.064 0.000 2.106 149 E HA -0.213 nan 4.350 nan 0.000 0.192 149 E C 0.010 176.600 176.600 -0.017 0.000 0.984 149 E CA 1.644 58.022 56.400 -0.036 0.000 0.806 149 E CB 0.079 29.759 29.700 -0.033 0.000 0.750 149 E HN 0.338 8.647 8.360 -0.084 0.000 0.458 150 D N -0.983 119.412 120.400 -0.008 0.000 2.739 150 D HA 0.262 nan 4.640 nan 0.000 0.335 150 D C -0.135 176.198 176.300 0.054 0.000 1.216 150 D CA -0.423 53.588 54.000 0.019 0.000 0.808 150 D CB -0.218 40.595 40.800 0.023 0.000 1.121 150 D HN -0.194 8.164 8.370 -0.020 0.000 0.499 151 Q N 0.010 119.833 119.800 0.037 0.000 2.364 151 Q HA -0.323 nan 4.340 nan 0.000 0.207 151 Q C 1.249 177.313 176.000 0.107 0.000 0.970 151 Q CA 2.710 58.559 55.803 0.077 0.000 0.888 151 Q CB -0.175 28.578 28.738 0.024 0.000 0.951 151 Q HN 0.114 8.390 8.270 0.011 0.000 0.469 152 E N 1.430 121.667 120.200 0.062 0.000 2.072 152 E HA -0.241 nan 4.350 nan 0.000 0.190 152 E C 1.403 178.017 176.600 0.022 0.000 0.982 152 E CA 2.209 58.636 56.400 0.045 0.000 0.803 152 E CB -0.356 29.361 29.700 0.029 0.000 0.755 152 E HN -0.053 8.312 8.360 0.043 0.022 0.453 153 A N 0.296 123.123 122.820 0.012 0.000 1.902 153 A HA -0.250 nan 4.320 nan 0.000 0.217 153 A C 1.720 179.287 177.584 -0.028 0.000 1.181 153 A CA 3.134 55.144 52.037 -0.046 0.000 0.623 153 A CB -1.133 17.846 19.000 -0.035 0.000 0.818 153 A HN -0.498 7.866 8.150 0.030 -0.196 0.443 154 W N -0.742 120.501 121.300 -0.094 0.000 2.335 154 W HA -0.443 nan 4.660 nan 0.000 0.311 154 W C 1.429 177.901 176.519 -0.079 0.000 1.213 154 W CA 3.713 61.005 57.345 -0.087 0.000 1.274 154 W CB 0.207 29.631 29.460 -0.060 0.000 1.148 154 W HN 0.187 8.502 8.180 0.225 0.000 0.498 155 Q N -1.249 118.604 119.800 0.088 0.000 2.172 155 Q HA -0.299 nan 4.340 nan 0.000 0.200 155 Q C 2.216 178.172 176.000 -0.074 0.000 0.964 155 Q CA 2.797 58.611 55.803 0.018 0.000 0.855 155 Q CB -0.425 28.371 28.738 0.097 0.000 0.918 155 Q HN -0.183 8.117 8.270 0.173 0.074 0.444 156 R N 0.056 120.499 120.500 -0.096 0.000 2.081 156 R HA -0.337 nan 4.340 nan 0.000 0.235 156 R C 2.135 178.291 176.300 -0.239 0.000 1.131 156 R CA 3.393 59.421 56.100 -0.120 0.000 0.960 156 R CB -0.162 30.022 30.300 -0.193 0.000 0.856 156 R HN 0.350 8.570 8.270 -0.082 0.000 0.436 157 G N -1.345 107.224 108.800 -0.386 0.000 2.418 157 G HA2 -0.321 nan 3.960 nan 0.000 0.217 157 G HA3 -0.321 nan 3.960 nan 0.000 0.217 157 G C 1.206 175.908 174.900 -0.331 0.000 1.158 157 G CA 2.146 46.977 45.100 -0.449 0.000 0.771 157 G HN -0.366 7.706 8.290 -0.363 0.000 0.545 158 V N 3.877 123.564 119.914 -0.378 0.000 2.282 158 V HA -0.406 nan 4.120 nan 0.000 0.249 158 V C 1.885 177.919 176.094 -0.100 0.000 1.057 158 V CA 4.003 66.144 62.300 -0.265 0.000 1.032 158 V CB -0.710 30.982 31.823 -0.217 0.000 0.645 158 V HN -0.157 7.746 8.190 -0.479 0.000 0.447 159 L N -0.711 120.493 121.223 -0.032 0.000 1.994 159 L HA -0.374 nan 4.340 nan 0.000 0.208 159 L C 2.108 179.042 176.870 0.107 0.000 1.071 159 L CA 3.620 58.489 54.840 0.048 0.000 0.745 159 L CB -1.032 41.087 42.059 0.100 0.000 0.892 159 L HN -0.257 7.843 8.230 -0.061 0.094 0.431 160 F N -1.734 118.133 119.950 -0.139 0.000 2.102 160 F HA -0.413 nan 4.527 nan 0.000 0.298 160 F C 2.018 177.745 175.800 -0.122 0.000 1.105 160 F CA 3.447 61.372 58.000 -0.125 0.000 1.239 160 F CB -1.021 37.890 39.000 -0.149 0.000 0.991 160 F HN -0.166 8.378 8.300 0.407 0.000 0.474 161 A N -1.989 120.861 122.820 0.049 0.000 1.969 161 A HA -0.331 nan 4.320 nan 0.000 0.218 161 A C 1.946 179.504 177.584 -0.043 0.000 1.169 161 A CA 3.078 55.099 52.037 -0.027 0.000 0.635 161 A CB -0.949 17.995 19.000 -0.094 0.000 0.810 161 A HN 0.489 8.645 8.150 0.009 0.000 0.445 162 S N -0.812 114.865 115.700 -0.038 0.000 2.383 162 S HA -0.393 nan 4.470 nan 0.000 0.227 162 S C 2.406 176.965 174.600 -0.068 0.000 1.026 162 S CA 3.419 61.592 58.200 -0.045 0.000 0.981 162 S CB -0.308 62.875 63.200 -0.028 0.000 0.818 162 S HN 0.116 8.407 8.310 -0.031 0.000 0.472 163 G N 1.137 109.897 108.800 -0.068 0.000 2.418 163 G HA2 -0.350 nan 3.960 nan 0.000 0.217 163 G HA3 -0.350 nan 3.960 nan 0.000 0.217 163 G C 0.722 175.569 174.900 -0.088 0.000 1.158 163 G CA 1.818 46.865 45.100 -0.087 0.000 0.771 163 G HN -0.357 7.902 8.290 -0.051 0.000 0.545 164 Q N 1.352 121.103 119.800 -0.081 0.000 2.079 164 Q HA -0.312 nan 4.340 nan 0.000 0.200 164 Q C 2.398 178.295 176.000 -0.173 0.000 0.974 164 Q CA 3.239 58.988 55.803 -0.090 0.000 0.840 164 Q CB 0.028 28.735 28.738 -0.053 0.000 0.898 164 Q HN -0.569 7.660 8.270 -0.062 0.004 0.430 165 N N 0.744 119.304 118.700 -0.233 0.000 2.188 165 N HA -0.273 nan 4.740 nan 0.000 0.184 165 N C 2.338 177.640 175.510 -0.347 0.000 1.018 165 N CA 2.941 55.701 53.050 -0.484 0.000 0.858 165 N CB -0.318 37.919 38.487 -0.418 0.000 0.989 165 N HN -0.146 8.077 8.380 -0.166 0.058 0.426 166 L N -0.116 121.009 121.223 -0.164 0.000 2.042 166 L HA -0.298 nan 4.340 nan 0.000 0.210 166 L C 1.289 178.106 176.870 -0.088 0.000 1.076 166 L CA 3.345 58.129 54.840 -0.093 0.000 0.749 166 L CB -0.417 41.593 42.059 -0.083 0.000 0.893 166 L HN 0.449 8.596 8.230 -0.138 0.000 0.432 167 A N -2.008 120.754 122.820 -0.097 0.000 1.968 167 A HA -0.272 nan 4.320 nan 0.000 0.217 167 A C 2.122 179.666 177.584 -0.067 0.000 1.169 167 A CA 2.931 54.934 52.037 -0.057 0.000 0.638 167 A CB -0.733 18.239 19.000 -0.046 0.000 0.812 167 A HN -0.372 7.629 8.150 -0.111 0.083 0.446 168 R N -1.434 118.984 120.500 -0.137 0.000 2.066 168 R HA -0.338 nan 4.340 nan 0.000 0.232 168 R C 2.133 178.388 176.300 -0.075 0.000 1.131 168 R CA 3.516 59.541 56.100 -0.124 0.000 0.955 168 R CB -0.204 29.962 30.300 -0.223 0.000 0.851 168 R HN -0.151 7.906 8.270 -0.203 0.090 0.432 169 R N -0.229 120.249 120.500 -0.036 0.000 2.094 169 R HA -0.332 nan 4.340 nan 0.000 0.239 169 R C 2.438 178.725 176.300 -0.021 0.000 1.137 169 R CA 3.542 59.690 56.100 0.078 0.000 0.943 169 R CB -0.199 30.226 30.300 0.209 0.000 0.850 169 R HN -0.172 8.014 8.270 -0.140 0.000 0.433 170 L N -1.874 119.352 121.223 0.006 0.000 2.013 170 L HA -0.313 nan 4.340 nan 0.000 0.212 170 L C 2.261 179.161 176.870 0.051 0.000 1.073 170 L CA 2.947 57.822 54.840 0.059 0.000 0.753 170 L CB -0.410 41.700 42.059 0.085 0.000 0.890 170 L HN -0.019 8.208 8.230 -0.006 0.000 0.432 171 M N -3.168 116.433 119.600 0.001 0.000 2.156 171 M HA -0.265 nan 4.480 nan 0.000 0.264 171 M C 1.828 178.082 176.300 -0.078 0.000 1.067 171 M CA 3.242 58.531 55.300 -0.018 0.000 1.131 171 M CB 0.310 32.895 32.600 -0.025 0.000 1.368 171 M HN -0.345 7.939 8.290 -0.010 0.000 0.416 172 E N -1.289 118.802 120.200 -0.180 0.000 2.072 172 E HA -0.091 nan 4.350 nan 0.000 0.191 172 E C 0.744 177.111 176.600 -0.389 0.000 0.985 172 E CA 1.544 57.745 56.400 -0.331 0.000 0.801 172 E CB 0.561 29.899 29.700 -0.604 0.000 0.750 172 E HN -0.139 8.117 8.360 -0.174 0.000 0.452 173 T N 4.090 118.418 114.554 -0.377 0.000 2.891 173 T HA -0.112 nan 4.350 nan 0.000 0.296 173 T C -1.281 173.408 174.700 -0.019 0.000 1.025 173 T CA -0.004 62.012 62.100 -0.140 0.000 1.149 173 T CB -1.152 67.728 68.868 0.021 0.000 1.007 173 T HN -0.547 7.517 8.240 -0.292 0.000 0.528 174 P HA -0.067 nan 4.420 nan 0.000 0.263 174 P C 0.142 177.465 177.300 0.038 0.000 1.175 174 P CA -0.255 62.865 63.100 0.033 0.000 0.761 174 P CB 0.473 32.196 31.700 0.038 0.000 0.794 175 A N 3.263 126.105 122.820 0.037 0.000 1.986 175 A HA -0.396 nan 4.320 nan 0.000 0.220 175 A C 0.138 177.737 177.584 0.024 0.000 1.171 175 A CA 2.899 54.970 52.037 0.056 0.000 0.640 175 A CB -0.613 18.445 19.000 0.097 0.000 0.811 175 A HN 0.587 8.758 8.150 0.034 0.000 0.451 176 N N -5.836 112.855 118.700 -0.015 0.000 2.381 176 N HA -0.201 nan 4.740 nan 0.000 0.182 176 N C 0.861 176.387 175.510 0.026 0.000 1.025 176 N CA 2.171 55.218 53.050 -0.004 0.000 0.888 176 N CB -1.134 37.338 38.487 -0.025 0.000 0.965 176 N HN -0.007 8.348 8.380 -0.042 0.000 0.438 177 E N -0.682 119.543 120.200 0.041 0.000 2.099 177 E HA -0.022 nan 4.350 nan 0.000 0.191 177 E C 0.498 177.144 176.600 0.076 0.000 0.962 177 E CA 0.835 57.270 56.400 0.059 0.000 0.826 177 E CB 0.684 30.429 29.700 0.075 0.000 0.788 177 E HN -0.393 7.851 8.360 0.039 0.140 0.461 178 M N 1.826 121.478 119.600 0.087 0.000 3.561 178 M HA 0.044 nan 4.480 nan 0.000 0.230 178 M C -1.057 175.308 176.300 0.108 0.000 1.387 178 M CA -1.635 53.737 55.300 0.119 0.000 1.570 178 M CB -1.186 31.492 32.600 0.130 0.000 1.057 178 M HN -0.231 8.105 8.290 0.076 0.000 0.607 179 T N 1.104 115.715 114.554 0.095 0.000 2.726 179 T HA 0.396 nan 4.350 nan 0.000 0.294 179 T C -0.436 174.322 174.700 0.095 0.000 1.013 179 T CA -1.513 60.636 62.100 0.082 0.000 0.996 179 T CB -0.738 68.172 68.868 0.069 0.000 1.016 179 T HN -0.310 7.924 8.240 0.090 0.060 0.529 180 P HA -0.234 nan 4.420 nan 0.000 0.215 180 P C 1.079 178.456 177.300 0.129 0.000 1.157 180 P CA 3.162 66.308 63.100 0.076 0.000 0.874 180 P CB -0.044 31.701 31.700 0.075 0.000 0.790 181 T N -5.725 108.896 114.554 0.111 0.000 2.857 181 T HA -0.228 nan 4.350 nan 0.000 0.266 181 T C 2.069 176.837 174.700 0.113 0.000 1.048 181 T CA 3.612 65.777 62.100 0.107 0.000 1.139 181 T CB -0.618 68.297 68.868 0.079 0.000 0.874 181 T HN 0.080 8.377 8.240 0.094 0.000 0.455 182 K N 2.741 123.209 120.400 0.114 0.000 2.063 182 K HA -0.334 nan 4.320 nan 0.000 0.208 182 K C 1.683 178.368 176.600 0.142 0.000 1.048 182 K CA 3.354 59.705 56.287 0.106 0.000 0.928 182 K CB -0.245 32.316 32.500 0.102 0.000 0.713 182 K HN -0.778 7.535 8.250 0.106 0.000 0.442 183 F N -0.337 119.625 119.950 0.019 0.000 2.146 183 F HA -0.364 nan 4.527 nan 0.000 0.298 183 F C 0.870 176.671 175.800 0.002 0.000 1.096 183 F CA 3.057 61.063 58.000 0.010 0.000 1.275 183 F CB 0.010 39.014 39.000 0.006 0.000 1.008 183 F HN -0.156 8.325 8.300 0.302 0.000 0.480 184 A N -0.911 122.094 122.820 0.308 0.000 1.908 184 A HA -0.427 nan 4.320 nan 0.000 0.218 184 A C 2.143 179.735 177.584 0.014 0.000 1.181 184 A CA 3.348 55.480 52.037 0.158 0.000 0.627 184 A CB -1.121 17.973 19.000 0.156 0.000 0.818 184 A HN -0.204 8.166 8.150 0.366 0.000 0.445 185 E N -1.034 119.177 120.200 0.019 0.000 2.072 185 E HA -0.332 nan 4.350 nan 0.000 0.191 185 E C 2.557 179.123 176.600 -0.056 0.000 0.985 185 E CA 2.984 59.377 56.400 -0.011 0.000 0.801 185 E CB -0.047 29.659 29.700 0.011 0.000 0.750 185 E HN -0.107 8.289 8.360 0.060 0.000 0.452 186 I N -0.354 120.163 120.570 -0.089 0.000 2.179 186 I HA -0.375 nan 4.170 nan 0.000 0.242 186 I C 2.215 178.225 176.117 -0.178 0.000 1.088 186 I CA 2.967 64.192 61.300 -0.125 0.000 1.357 186 I CB -1.349 36.555 38.000 -0.160 0.000 1.051 186 I HN 0.024 8.193 8.210 -0.069 0.000 0.409 187 V N -0.036 119.709 119.914 -0.281 0.000 2.343 187 V HA -0.517 nan 4.120 nan 0.000 0.247 187 V C 1.984 177.989 176.094 -0.148 0.000 1.051 187 V CA 4.932 67.071 62.300 -0.269 0.000 1.036 187 V CB -0.930 30.667 31.823 -0.376 0.000 0.654 187 V HN 0.126 8.104 8.190 -0.352 0.000 0.451 188 E N -0.467 119.667 120.200 -0.110 0.000 2.049 188 E HA -0.520 nan 4.350 nan 0.000 0.198 188 E C 1.736 178.294 176.600 -0.071 0.000 1.007 188 E CA 3.721 60.075 56.400 -0.078 0.000 0.809 188 E CB -0.291 29.372 29.700 -0.061 0.000 0.749 188 E HN -0.149 8.144 8.360 -0.112 0.000 0.450 189 E N -0.969 119.190 120.200 -0.067 0.000 2.051 189 E HA -0.356 nan 4.350 nan 0.000 0.192 189 E C 2.469 179.036 176.600 -0.055 0.000 0.991 189 E CA 3.203 59.571 56.400 -0.053 0.000 0.799 189 E CB -0.242 29.431 29.700 -0.045 0.000 0.748 189 E HN -0.284 8.033 8.360 -0.071 0.000 0.449 190 N N -0.556 118.100 118.700 -0.073 0.000 2.188 190 N HA -0.255 nan 4.740 nan 0.000 0.184 190 N C 2.641 178.107 175.510 -0.072 0.000 1.018 190 N CA 3.228 56.234 53.050 -0.073 0.000 0.858 190 N CB 0.257 38.688 38.487 -0.094 0.000 0.989 190 N HN -0.209 8.117 8.380 -0.089 0.000 0.426 191 L N 0.550 121.727 121.223 -0.077 0.000 2.072 191 L HA -0.201 nan 4.340 nan 0.000 0.205 191 L C 0.942 177.785 176.870 -0.045 0.000 1.079 191 L CA 2.945 57.744 54.840 -0.069 0.000 0.752 191 L CB -0.007 42.014 42.059 -0.063 0.000 0.906 191 L HN 0.148 8.210 8.230 -0.082 0.119 0.436 192 K N -0.911 119.464 120.400 -0.041 0.000 2.148 192 K HA -0.311 nan 4.320 nan 0.000 0.204 192 K C 2.173 178.759 176.600 -0.022 0.000 1.050 192 K CA 2.943 59.213 56.287 -0.028 0.000 0.942 192 K CB -0.161 32.317 32.500 -0.036 0.000 0.724 192 K HN 0.026 8.245 8.250 -0.051 0.000 0.446 193 S N -1.943 113.740 115.700 -0.028 0.000 2.481 193 S HA -0.107 nan 4.470 nan 0.000 0.231 193 S C 0.626 175.212 174.600 -0.023 0.000 0.996 193 S CA 2.400 60.587 58.200 -0.022 0.000 0.942 193 S CB 0.041 63.227 63.200 -0.024 0.000 0.768 193 S HN -0.302 7.987 8.310 -0.035 0.000 0.520 194 A N 0.918 123.716 122.820 -0.035 0.000 1.903 194 A HA 0.025 nan 4.320 nan 0.000 0.213 194 A C -0.319 177.253 177.584 -0.021 0.000 1.185 194 A CA 1.335 53.343 52.037 -0.048 0.000 0.628 194 A CB 0.910 19.852 19.000 -0.096 0.000 0.830 194 A HN -0.344 7.604 8.150 -0.041 0.177 0.446 195 S N -3.488 112.218 115.700 0.010 0.000 2.565 195 S HA 0.294 nan 4.470 nan 0.000 0.269 195 S C -1.340 173.297 174.600 0.062 0.000 1.153 195 S CA -0.948 57.290 58.200 0.064 0.000 0.835 195 S CB 2.386 65.683 63.200 0.162 0.000 1.122 195 S HN -0.605 7.707 8.310 0.003 0.000 0.462 196 I N -5.266 115.339 120.570 0.058 0.000 3.578 196 I HA 0.062 nan 4.170 nan 0.000 0.295 196 I C 0.708 176.848 176.117 0.038 0.000 1.280 196 I CA 0.480 61.801 61.300 0.035 0.000 1.347 196 I CB 0.189 38.202 38.000 0.022 0.000 1.051 196 I HN 0.356 8.602 8.210 0.061 0.000 0.460 197 K N 2.021 122.463 120.400 0.071 0.000 2.968 197 K HA 0.044 nan 4.320 nan 0.000 0.249 197 K C -1.427 175.213 176.600 0.067 0.000 1.062 197 K CA -0.561 55.746 56.287 0.033 0.000 1.215 197 K CB -1.900 30.590 32.500 -0.016 0.000 1.097 197 K HN -0.145 8.126 8.250 0.102 0.041 0.462 198 T N -4.854 109.744 114.554 0.073 0.000 2.916 198 T HA 0.565 nan 4.350 nan 0.000 0.292 198 T C -1.277 173.424 174.700 0.001 0.000 1.064 198 T CA -2.568 59.583 62.100 0.085 0.000 1.011 198 T CB 2.614 71.538 68.868 0.093 0.000 1.152 198 T HN -0.698 7.489 8.240 0.040 0.077 0.510 199 D N 0.891 121.280 120.400 -0.018 0.000 2.947 199 D HA 0.373 nan 4.640 nan 0.000 0.224 199 D C -2.402 173.739 176.300 -0.265 0.000 1.230 199 D CA -0.453 53.425 54.000 -0.202 0.000 0.871 199 D CB 4.466 45.166 40.800 -0.166 0.000 1.671 199 D HN 0.032 8.440 8.370 0.063 0.000 0.507 200 V N 0.530 120.107 119.914 -0.562 0.000 2.709 200 V HA 0.724 nan 4.120 nan 0.000 0.308 200 V C -0.806 174.857 176.094 -0.719 0.000 1.062 200 V CA -0.979 61.103 62.300 -0.363 0.000 0.901 200 V CB 2.396 34.107 31.823 -0.187 0.000 1.003 200 V HN 0.258 7.987 8.190 -0.767 0.000 0.425 201 F N 5.109 125.108 119.950 0.082 0.000 2.553 201 F HA 0.326 nan 4.527 nan 0.000 0.335 201 F C -1.039 174.763 175.800 0.002 0.000 1.148 201 F CA -1.448 56.569 58.000 0.029 0.000 0.963 201 F CB 3.699 42.725 39.000 0.043 0.000 1.217 201 F HN 0.874 9.152 8.300 0.128 0.099 0.441 202 I N 4.582 125.218 120.570 0.110 0.000 2.282 202 I HA 0.121 nan 4.170 nan 0.000 0.290 202 I C -0.379 175.771 176.117 0.054 0.000 1.090 202 I CA -0.429 60.919 61.300 0.080 0.000 1.231 202 I CB -0.272 37.764 38.000 0.060 0.000 1.434 202 I HN 0.330 8.593 8.210 0.088 0.000 0.487 203 R N 7.650 128.157 120.500 0.012 0.000 2.265 203 R HA 0.415 nan 4.340 nan 0.000 0.314 203 R C -1.655 174.692 176.300 0.079 0.000 1.053 203 R CA -2.645 53.382 56.100 -0.121 0.000 0.931 203 R CB 0.087 30.003 30.300 -0.639 0.000 1.024 203 R HN 0.564 8.767 8.270 0.061 0.104 0.457 204 P HA 0.181 nan 4.420 nan 0.000 0.279 204 P C 0.062 177.475 177.300 0.189 0.000 1.276 204 P CA -1.187 61.997 63.100 0.140 0.000 0.801 204 P CB 1.176 32.941 31.700 0.110 0.000 1.127 205 K N -0.028 120.448 120.400 0.127 0.000 2.113 205 K HA -0.489 nan 4.320 nan 0.000 0.208 205 K C 2.029 178.690 176.600 0.102 0.000 1.047 205 K CA 4.266 60.604 56.287 0.086 0.000 0.928 205 K CB -0.426 32.091 32.500 0.028 0.000 0.716 205 K HN 0.602 8.912 8.250 0.100 0.000 0.446 206 S N -1.166 114.605 115.700 0.117 0.000 2.370 206 S HA -0.267 nan 4.470 nan 0.000 0.226 206 S C 1.704 176.394 174.600 0.149 0.000 1.033 206 S CA 3.694 61.957 58.200 0.105 0.000 1.011 206 S CB -0.725 62.538 63.200 0.104 0.000 0.852 206 S HN 0.108 8.469 8.310 0.113 0.017 0.457 207 W N 2.359 123.659 121.300 0.001 0.000 2.409 207 W HA -0.248 nan 4.660 nan 0.000 0.299 207 W C 1.402 177.885 176.519 -0.059 0.000 1.203 207 W CA 3.624 60.957 57.345 -0.020 0.000 1.298 207 W CB 0.413 29.875 29.460 0.003 0.000 1.127 207 W HN -0.527 7.856 8.180 0.351 0.008 0.528 208 I N -1.679 119.151 120.570 0.434 0.000 2.208 208 I HA -0.724 nan 4.170 nan 0.000 0.245 208 I C 1.583 177.668 176.117 -0.053 0.000 1.097 208 I CA 4.245 65.681 61.300 0.226 0.000 1.363 208 I CB -0.199 37.954 38.000 0.256 0.000 1.051 208 I HN -0.259 8.163 8.210 0.467 0.068 0.413 209 E N -1.769 118.406 120.200 -0.042 0.000 2.216 209 E HA -0.247 nan 4.350 nan 0.000 0.192 209 E C 2.735 179.252 176.600 -0.139 0.000 0.988 209 E CA 2.670 59.018 56.400 -0.087 0.000 0.834 209 E CB -0.690 28.977 29.700 -0.055 0.000 0.772 209 E HN 0.309 8.681 8.360 0.020 0.000 0.479 210 E N 0.658 120.755 120.200 -0.172 0.000 2.265 210 E HA -0.252 nan 4.350 nan 0.000 0.196 210 E C 1.789 178.179 176.600 -0.350 0.000 0.996 210 E CA 2.249 58.511 56.400 -0.230 0.000 0.832 210 E CB -0.325 29.235 29.700 -0.232 0.000 0.756 210 E HN -0.178 8.041 8.360 -0.121 0.069 0.491 211 Q N -3.148 116.349 119.800 -0.505 0.000 2.280 211 Q HA 0.060 nan 4.340 nan 0.000 0.202 211 Q C -0.988 174.825 176.000 -0.312 0.000 0.903 211 Q CA -1.100 54.373 55.803 -0.551 0.000 0.948 211 Q CB -0.757 27.414 28.738 -0.945 0.000 1.058 211 Q HN -0.650 7.169 8.270 -0.503 0.149 0.493 212 E N -4.572 115.503 120.200 -0.207 0.000 2.586 212 E HA -0.426 nan 4.350 nan 0.000 0.259 212 E C -0.372 176.175 176.600 -0.089 0.000 1.107 212 E CA 0.994 57.320 56.400 -0.123 0.000 0.754 212 E CB -1.478 28.160 29.700 -0.102 0.000 1.335 212 E HN -0.327 7.832 8.360 -0.206 0.077 0.411 213 M N 0.196 119.743 119.600 -0.087 0.000 3.422 213 M HA 0.066 nan 4.480 nan 0.000 0.248 213 M C 0.625 176.940 176.300 0.024 0.000 1.433 213 M CA -0.705 54.598 55.300 0.004 0.000 1.592 213 M CB -1.663 30.995 32.600 0.097 0.000 1.078 213 M HN -0.690 7.501 8.290 -0.129 0.021 0.578 214 G N 1.917 110.720 108.800 0.005 0.000 2.402 214 G HA2 -0.308 nan 3.960 nan 0.000 0.216 214 G HA3 -0.308 nan 3.960 nan 0.000 0.216 214 G C 0.688 175.603 174.900 0.026 0.000 1.162 214 G CA 2.431 47.532 45.100 0.001 0.000 0.777 214 G HN 0.418 8.649 8.290 -0.005 0.057 0.539 215 S N 2.598 118.329 115.700 0.052 0.000 2.436 215 S HA -0.146 nan 4.470 nan 0.000 0.228 215 S C 1.690 176.367 174.600 0.129 0.000 1.014 215 S CA 2.816 61.055 58.200 0.065 0.000 0.950 215 S CB -0.375 62.846 63.200 0.036 0.000 0.784 215 S HN -0.729 7.704 8.310 0.044 -0.096 0.504 216 F N 4.988 124.939 119.950 0.002 0.000 2.113 216 F HA -0.139 nan 4.527 nan 0.000 0.297 216 F C 1.000 176.817 175.800 0.028 0.000 1.103 216 F CA 1.787 59.804 58.000 0.028 0.000 1.248 216 F CB -0.098 38.946 39.000 0.073 0.000 0.999 216 F HN 0.032 8.813 8.300 0.252 -0.330 0.475 217 L N -1.556 119.553 121.223 -0.190 0.000 2.127 217 L HA -0.401 nan 4.340 nan 0.000 0.211 217 L C 1.903 178.695 176.870 -0.129 0.000 1.089 217 L CA 2.571 57.247 54.840 -0.274 0.000 0.757 217 L CB -1.031 40.920 42.059 -0.180 0.000 0.899 217 L HN 0.134 8.337 8.230 -0.046 0.000 0.434 218 S N -1.362 114.311 115.700 -0.045 0.000 2.436 218 S HA -0.217 nan 4.470 nan 0.000 0.228 218 S C 1.650 176.245 174.600 -0.009 0.000 1.014 218 S CA 3.002 61.189 58.200 -0.022 0.000 0.950 218 S CB -0.277 62.923 63.200 0.000 0.000 0.784 218 S HN -0.411 7.771 8.310 -0.013 0.120 0.504 219 V N 1.527 121.451 119.914 0.017 0.000 2.307 219 V HA -0.313 nan 4.120 nan 0.000 0.245 219 V C 1.948 178.049 176.094 0.011 0.000 1.045 219 V CA 3.635 65.954 62.300 0.032 0.000 1.024 219 V CB -0.784 31.091 31.823 0.086 0.000 0.651 219 V HN -0.771 7.444 8.190 0.042 0.000 0.449 220 A N -1.812 120.992 122.820 -0.027 0.000 1.933 220 A HA -0.295 nan 4.320 nan 0.000 0.218 220 A C 1.855 179.413 177.584 -0.044 0.000 1.175 220 A CA 3.214 55.219 52.037 -0.053 0.000 0.628 220 A CB -0.563 18.324 19.000 -0.188 0.000 0.814 220 A HN -0.133 7.986 8.150 -0.052 0.000 0.444 221 K N -1.788 118.580 120.400 -0.053 0.000 2.360 221 K HA -0.239 nan 4.320 nan 0.000 0.201 221 K C 1.765 178.357 176.600 -0.014 0.000 1.046 221 K CA 1.931 58.196 56.287 -0.036 0.000 0.945 221 K CB -0.560 31.919 32.500 -0.036 0.000 0.750 221 K HN -0.408 7.803 8.250 -0.065 0.000 0.464 222 G N -1.658 107.140 108.800 -0.004 0.000 2.920 222 G HA2 -0.060 nan 3.960 nan 0.000 0.208 222 G HA3 -0.060 nan 3.960 nan 0.000 0.208 222 G C -0.687 174.223 174.900 0.016 0.000 1.159 222 G CA -0.506 44.598 45.100 0.007 0.000 0.784 222 G HN -0.500 7.740 8.290 -0.004 0.048 0.535 223 S N -1.927 113.784 115.700 0.018 0.000 2.664 223 S HA 0.131 nan 4.470 nan 0.000 0.304 223 S C 0.075 174.686 174.600 0.019 0.000 1.099 223 S CA -1.278 56.939 58.200 0.028 0.000 1.003 223 S CB 1.720 64.946 63.200 0.042 0.000 1.092 223 S HN -0.656 7.595 8.310 0.010 0.064 0.525 224 E N 2.245 122.458 120.200 0.021 0.000 2.442 224 E HA 0.140 nan 4.350 nan 0.000 0.195 224 E C -0.532 176.080 176.600 0.021 0.000 1.030 224 E CA 0.328 56.738 56.400 0.017 0.000 0.869 224 E CB 0.048 29.757 29.700 0.015 0.000 0.857 224 E HN 0.235 8.610 8.360 0.026 0.000 0.505 225 E N 1.915 122.132 120.200 0.028 0.000 2.217 225 E HA 0.148 nan 4.350 nan 0.000 0.279 225 E C -1.799 174.822 176.600 0.035 0.000 1.068 225 E CA -2.971 53.450 56.400 0.035 0.000 0.882 225 E CB 0.035 29.762 29.700 0.045 0.000 1.039 225 E HN -0.757 7.557 8.360 0.032 0.065 0.418 226 P HA 0.032 nan 4.420 nan 0.000 0.263 226 P C -2.138 175.195 177.300 0.054 0.000 1.195 226 P CA -1.449 61.673 63.100 0.036 0.000 0.762 226 P CB -0.622 31.103 31.700 0.042 0.000 0.799 227 P HA 0.185 nan 4.420 nan 0.000 0.273 227 P C -1.812 175.589 177.300 0.168 0.000 1.250 227 P CA -0.777 62.386 63.100 0.104 0.000 0.793 227 P CB 1.067 32.756 31.700 -0.018 0.000 1.011 228 V N -2.461 117.618 119.914 0.276 0.000 2.888 228 V HA 0.408 nan 4.120 nan 0.000 0.309 228 V C -2.079 174.227 176.094 0.354 0.000 1.114 228 V CA -0.460 61.994 62.300 0.256 0.000 0.940 228 V CB 4.351 36.268 31.823 0.157 0.000 1.021 228 V HN -0.017 8.379 8.190 0.343 0.000 0.426 229 F N 7.313 127.383 119.950 0.199 0.000 2.361 229 F HA 0.684 nan 4.527 nan 0.000 0.364 229 F C -2.392 173.431 175.800 0.039 0.000 1.117 229 F CA -1.971 56.109 58.000 0.134 0.000 1.071 229 F CB 2.689 41.802 39.000 0.188 0.000 1.188 229 F HN 0.539 8.941 8.300 0.360 0.113 0.464 230 L N 8.262 129.338 121.223 -0.244 0.000 2.257 230 L HA 0.512 nan 4.340 nan 0.000 0.290 230 L C -2.116 174.738 176.870 -0.027 0.000 1.044 230 L CA -0.653 54.159 54.840 -0.047 0.000 0.810 230 L CB 1.744 43.809 42.059 0.010 0.000 1.193 230 L HN 0.713 8.645 8.230 -0.497 0.000 0.425 231 E N 8.372 128.691 120.200 0.198 0.000 2.114 231 E HA 0.528 nan 4.350 nan 0.000 0.266 231 E C -1.885 174.889 176.600 0.291 0.000 0.896 231 E CA -1.182 55.413 56.400 0.325 0.000 0.750 231 E CB 2.167 32.210 29.700 0.571 0.000 1.121 231 E HN 0.587 9.083 8.360 0.226 0.000 0.413 232 I N 4.995 125.623 120.570 0.097 0.000 2.404 232 I HA 0.582 nan 4.170 nan 0.000 0.293 232 I C -1.414 174.703 176.117 -0.000 0.000 0.992 232 I CA -1.715 59.629 61.300 0.073 0.000 1.149 232 I CB 1.495 39.497 38.000 0.004 0.000 1.315 232 I HN 0.795 9.004 8.210 -0.001 0.000 0.446 233 H N 6.981 126.088 119.070 0.062 0.000 2.600 233 H HA 0.572 nan 4.556 nan 0.000 0.357 233 H C -1.900 173.482 175.328 0.089 0.000 1.106 233 H CA -1.835 54.250 56.048 0.063 0.000 1.193 233 H CB 3.970 33.802 29.762 0.117 0.000 1.594 233 H HN 0.713 9.153 8.280 0.267 0.000 0.526 234 Y N 4.634 124.963 120.300 0.048 0.000 2.363 234 Y HA 0.231 nan 4.550 nan 0.000 0.325 234 Y C -2.663 173.246 175.900 0.014 0.000 0.984 234 Y CA -2.294 55.806 58.100 0.001 0.000 1.248 234 Y CB 1.897 40.319 38.460 -0.064 0.000 1.116 234 Y HN 1.025 9.395 8.280 0.149 0.000 0.470 235 K N 9.654 129.784 120.400 -0.451 0.000 2.229 235 K HA 0.205 nan 4.320 nan 0.000 0.247 235 K C -0.143 176.053 176.600 -0.673 0.000 1.117 235 K CA -0.925 55.133 56.287 -0.381 0.000 1.036 235 K CB -1.002 31.405 32.500 -0.154 0.000 1.654 235 K HN 0.517 8.574 8.250 -0.322 0.000 0.405 236 G N 0.339 108.578 108.800 -0.935 0.000 3.126 236 G HA2 0.127 nan 3.960 nan 0.000 0.224 236 G HA3 0.127 nan 3.960 nan 0.000 0.224 236 G C -0.624 174.139 174.900 -0.229 0.000 1.142 236 G CA -0.329 44.347 45.100 -0.707 0.000 0.759 236 G HN 0.075 7.820 8.290 -0.828 0.049 0.550 237 S N 1.060 116.654 115.700 -0.176 0.000 2.565 237 S HA 0.222 nan 4.470 nan 0.000 0.274 237 S C -0.727 173.838 174.600 -0.058 0.000 1.309 237 S CA -2.308 55.849 58.200 -0.072 0.000 1.043 237 S CB 0.827 64.002 63.200 -0.041 0.000 0.939 237 S HN -0.591 7.792 8.310 -0.227 -0.210 0.504 238 P HA -0.020 nan 4.420 nan 0.000 0.218 238 P C -0.849 176.443 177.300 -0.012 0.000 1.149 238 P CA 0.969 64.058 63.100 -0.017 0.000 0.817 238 P CB 0.358 32.054 31.700 -0.007 0.000 0.785 239 N N 0.062 118.758 118.700 -0.007 0.000 2.521 239 N HA 0.106 nan 4.740 nan 0.000 0.236 239 N C -0.243 175.265 175.510 -0.002 0.000 1.067 239 N CA -1.452 51.599 53.050 0.001 0.000 0.939 239 N CB -0.879 37.614 38.487 0.010 0.000 1.201 239 N HN -0.460 7.892 8.380 -0.007 0.024 0.511 240 A N 2.463 125.280 122.820 -0.005 0.000 2.186 240 A HA -0.246 nan 4.320 nan 0.000 0.219 240 A C -0.335 177.259 177.584 0.016 0.000 1.159 240 A CA 2.320 54.355 52.037 -0.003 0.000 0.680 240 A CB -0.177 18.822 19.000 -0.002 0.000 0.787 240 A HN -0.344 7.803 8.150 -0.006 0.000 0.467 241 S N -3.477 112.236 115.700 0.021 0.000 2.557 241 S HA 0.068 nan 4.470 nan 0.000 0.223 241 S C -0.359 174.264 174.600 0.039 0.000 0.969 241 S CA -0.368 57.852 58.200 0.033 0.000 0.927 241 S CB -0.032 63.185 63.200 0.028 0.000 0.806 241 S HN -0.340 7.924 8.310 0.016 0.055 0.489 242 E N 3.715 123.935 120.200 0.034 0.000 2.415 242 E HA 0.028 nan 4.350 nan 0.000 0.263 242 E C -1.699 174.935 176.600 0.056 0.000 0.995 242 E CA -1.741 54.684 56.400 0.043 0.000 0.915 242 E CB 0.428 30.149 29.700 0.035 0.000 0.951 242 E HN -0.627 7.579 8.360 0.024 0.168 0.449 243 P HA 0.046 nan 4.420 nan 0.000 0.264 243 P C -2.079 175.264 177.300 0.072 0.000 1.193 243 P CA -0.814 62.338 63.100 0.086 0.000 0.763 243 P CB -0.311 31.448 31.700 0.097 0.000 0.810 244 P HA 0.146 nan 4.420 nan 0.000 0.274 244 P C -1.112 176.182 177.300 -0.010 0.000 1.237 244 P CA -0.775 62.328 63.100 0.006 0.000 0.793 244 P CB 1.048 32.741 31.700 -0.011 0.000 0.977 245 L N 0.740 121.918 121.223 -0.074 0.000 2.326 245 L HA 0.525 nan 4.340 nan 0.000 0.278 245 L C -1.059 175.787 176.870 -0.041 0.000 1.092 245 L CA 0.105 54.909 54.840 -0.060 0.000 0.810 245 L CB 0.348 42.325 42.059 -0.136 0.000 1.153 245 L HN -0.086 8.079 8.230 -0.107 0.000 0.439 246 V N 0.365 120.305 119.914 0.044 0.000 2.604 246 V HA 0.818 nan 4.120 nan 0.000 0.305 246 V C -1.896 174.357 176.094 0.265 0.000 1.043 246 V CA -2.484 59.845 62.300 0.048 0.000 0.888 246 V CB 3.432 35.223 31.823 -0.053 0.000 0.995 246 V HN 0.626 8.855 8.190 0.064 0.000 0.429 247 F N 6.774 126.688 119.950 -0.059 0.000 2.443 247 F HA 0.844 nan 4.527 nan 0.000 0.335 247 F C -0.972 174.819 175.800 -0.014 0.000 1.104 247 F CA -3.603 54.380 58.000 -0.029 0.000 1.013 247 F CB 2.096 41.075 39.000 -0.035 0.000 1.136 247 F HN 0.003 8.425 8.300 0.204 0.000 0.470 248 V N 1.602 121.581 119.914 0.109 0.000 2.823 248 V HA 0.775 nan 4.120 nan 0.000 0.312 248 V C -1.664 174.443 176.094 0.022 0.000 1.072 248 V CA -1.762 60.587 62.300 0.081 0.000 0.937 248 V CB 3.478 35.377 31.823 0.128 0.000 1.013 248 V HN 0.562 8.775 8.190 0.038 0.000 0.430 249 G N 2.131 110.921 108.800 -0.018 0.000 2.701 249 G HA2 0.568 nan 3.960 nan 0.000 0.300 249 G HA3 0.568 nan 3.960 nan 0.000 0.300 249 G C -2.825 172.022 174.900 -0.089 0.000 1.410 249 G CA -0.616 44.458 45.100 -0.042 0.000 1.014 249 G HN 0.270 8.532 8.290 -0.046 0.000 0.509 250 K N 3.070 123.425 120.400 -0.076 0.000 2.412 250 K HA -0.111 nan 4.320 nan 0.000 0.284 250 K C -0.293 176.211 176.600 -0.159 0.000 1.046 250 K CA -0.081 56.143 56.287 -0.106 0.000 0.999 250 K CB 0.649 33.111 32.500 -0.063 0.000 0.941 250 K HN 0.260 8.481 8.250 -0.048 0.000 0.474 251 G N 6.498 115.167 108.800 -0.218 0.000 4.373 251 G HA2 0.341 nan 3.960 nan 0.000 0.337 251 G HA3 0.341 nan 3.960 nan 0.000 0.337 251 G C -1.912 172.864 174.900 -0.208 0.000 1.442 251 G CA -0.988 43.935 45.100 -0.295 0.000 1.150 251 G HN 0.109 8.262 8.290 -0.228 0.000 0.517 252 I N 5.349 125.831 120.570 -0.148 0.000 2.371 252 I HA 0.173 nan 4.170 nan 0.000 0.290 252 I C -0.389 175.671 176.117 -0.096 0.000 1.028 252 I CA -1.344 59.899 61.300 -0.096 0.000 1.345 252 I CB -0.019 37.924 38.000 -0.095 0.000 1.407 252 I HN -0.386 7.737 8.210 -0.146 0.000 0.501 253 T N 3.337 117.864 114.554 -0.045 0.000 3.067 253 T HA 0.051 nan 4.350 nan 0.000 0.257 253 T C -0.262 174.512 174.700 0.124 0.000 1.105 253 T CA 0.008 62.107 62.100 -0.002 0.000 1.104 253 T CB 0.889 69.759 68.868 0.003 0.000 0.925 253 T HN 0.512 8.630 8.240 -0.018 0.111 0.498 254 F N 0.521 120.453 119.950 -0.030 0.000 2.622 254 F HA 0.161 nan 4.527 nan 0.000 0.318 254 F C -3.201 172.589 175.800 -0.016 0.000 1.135 254 F CA -0.862 57.127 58.000 -0.019 0.000 1.015 254 F CB 3.827 42.822 39.000 -0.009 0.000 1.275 254 F HN -0.890 7.458 8.300 0.081 0.000 0.457 255 D N 6.318 126.068 120.400 -1.082 0.000 2.440 255 D HA 0.394 nan 4.640 nan 0.000 0.239 255 D C -0.414 175.345 176.300 -0.901 0.000 1.084 255 D CA -2.264 51.302 54.000 -0.724 0.000 0.843 255 D CB 1.447 41.998 40.800 -0.415 0.000 1.097 255 D HN -0.198 7.356 8.370 -1.360 0.000 0.531 256 S N 4.648 120.100 115.700 -0.413 0.000 2.501 256 S HA 0.097 nan 4.470 nan 0.000 0.220 256 S C 1.049 175.605 174.600 -0.072 0.000 0.997 256 S CA 0.103 58.250 58.200 -0.089 0.000 0.919 256 S CB 1.612 64.924 63.200 0.186 0.000 0.778 256 S HN 0.438 8.621 8.310 -0.213 0.000 0.523 257 G N -0.103 108.636 108.800 -0.100 0.000 2.259 257 G HA2 -0.361 nan 3.960 nan 0.000 0.217 257 G HA3 -0.361 nan 3.960 nan 0.000 0.217 257 G C -0.143 174.737 174.900 -0.033 0.000 1.001 257 G CA -0.224 44.838 45.100 -0.063 0.000 0.627 257 G HN -0.261 8.114 8.290 -0.148 -0.174 0.501 258 G N 0.953 109.746 108.800 -0.012 0.000 2.498 258 G HA2 -0.375 nan 3.960 nan 0.000 0.251 258 G HA3 -0.375 nan 3.960 nan 0.000 0.251 258 G C 0.145 175.049 174.900 0.006 0.000 1.170 258 G CA 0.294 45.395 45.100 0.002 0.000 0.944 258 G HN -0.600 7.601 8.290 -0.006 0.086 0.567 259 I N 2.697 123.268 120.570 0.003 0.000 2.500 259 I HA -0.122 nan 4.170 nan 0.000 0.252 259 I C 0.835 176.952 176.117 0.001 0.000 1.142 259 I CA 2.541 63.844 61.300 0.004 0.000 1.451 259 I CB 0.378 38.380 38.000 0.003 0.000 1.093 259 I HN 0.358 8.568 8.210 0.000 0.000 0.430 260 S N 0.403 116.099 115.700 -0.006 0.000 4.085 260 S HA -0.107 nan 4.470 nan 0.000 0.189 260 S C -0.859 173.735 174.600 -0.010 0.000 1.392 260 S CA 0.032 58.226 58.200 -0.009 0.000 0.972 260 S CB -2.028 61.162 63.200 -0.017 0.000 1.482 260 S HN 0.025 8.330 8.310 -0.009 0.000 0.446 261 I N 2.051 122.621 120.570 -0.000 0.000 2.710 261 I HA -0.158 nan 4.170 nan 0.000 0.286 261 I C -0.075 176.044 176.117 0.002 0.000 1.181 261 I CA 0.273 61.577 61.300 0.005 0.000 1.430 261 I CB 1.205 39.216 38.000 0.018 0.000 1.367 261 I HN -0.470 7.699 8.210 0.003 0.043 0.577 262 K N 8.531 128.930 120.400 -0.002 0.000 2.336 262 K HA -0.171 nan 4.320 nan 0.000 0.262 262 K C -1.094 175.514 176.600 0.013 0.000 0.992 262 K CA 0.616 56.900 56.287 -0.004 0.000 0.927 262 K CB 0.639 33.129 32.500 -0.017 0.000 0.956 262 K HN 0.086 8.335 8.250 -0.002 0.000 0.495 263 A N 2.414 125.240 122.820 0.010 0.000 2.406 263 A HA -0.012 nan 4.320 nan 0.000 0.243 263 A C -0.011 177.590 177.584 0.028 0.000 1.082 263 A CA 0.689 52.736 52.037 0.016 0.000 0.786 263 A CB 0.463 19.470 19.000 0.010 0.000 1.029 263 A HN 0.167 8.318 8.150 0.002 0.000 0.495 264 A N 2.379 125.217 122.820 0.030 0.000 1.968 264 A HA -0.126 nan 4.320 nan 0.000 0.217 264 A C 0.607 178.214 177.584 0.038 0.000 1.169 264 A CA 1.020 53.080 52.037 0.039 0.000 0.638 264 A CB -0.009 19.009 19.000 0.031 0.000 0.812 264 A HN 0.582 8.747 8.150 0.024 0.000 0.446 265 A N -1.639 121.198 122.820 0.027 0.000 2.522 265 A HA -0.100 nan 4.320 nan 0.000 0.256 265 A C -0.640 176.960 177.584 0.027 0.000 1.086 265 A CA 0.806 52.858 52.037 0.024 0.000 0.763 265 A CB -0.940 18.070 19.000 0.016 0.000 1.024 265 A HN -0.361 7.768 8.150 0.022 0.034 0.502 266 N N 0.352 119.071 118.700 0.031 0.000 2.714 266 N HA -0.321 nan 4.740 nan 0.000 0.250 266 N C 0.838 176.380 175.510 0.053 0.000 1.117 266 N CA 1.533 54.605 53.050 0.036 0.000 0.719 266 N CB -0.666 37.834 38.487 0.023 0.000 1.081 266 N HN 0.216 8.614 8.380 0.030 0.000 0.557 267 M N -0.176 119.470 119.600 0.077 0.000 2.374 267 M HA -0.364 nan 4.480 nan 0.000 0.264 267 M C 0.055 176.479 176.300 0.206 0.000 1.067 267 M CA 3.723 59.096 55.300 0.123 0.000 1.103 267 M CB -0.068 32.633 32.600 0.168 0.000 1.402 267 M HN -0.161 8.138 8.290 0.069 0.033 0.444 268 D N -0.306 120.191 120.400 0.162 0.000 2.271 268 D HA -0.316 nan 4.640 nan 0.000 0.207 268 D C 1.914 178.315 176.300 0.169 0.000 0.983 268 D CA 2.683 56.785 54.000 0.171 0.000 0.878 268 D CB -1.025 39.822 40.800 0.079 0.000 0.920 268 D HN 0.339 8.743 8.370 0.109 0.030 0.479 269 L N -0.783 120.503 121.223 0.105 0.000 2.465 269 L HA -0.162 nan 4.340 nan 0.000 0.224 269 L C 1.957 178.857 176.870 0.050 0.000 1.145 269 L CA 1.456 56.333 54.840 0.061 0.000 0.834 269 L CB -0.365 41.708 42.059 0.025 0.000 0.944 269 L HN -0.641 7.599 8.230 0.088 0.042 0.451 270 M N -1.809 117.823 119.600 0.054 0.000 2.659 270 M HA -0.094 nan 4.480 nan 0.000 0.243 270 M C 1.536 177.830 176.300 -0.010 0.000 1.111 270 M CA -0.934 54.295 55.300 -0.118 0.000 1.070 270 M CB -2.408 29.917 32.600 -0.458 0.000 1.525 270 M HN 0.420 8.633 8.290 0.136 0.158 0.517 271 R N 0.529 121.168 120.500 0.233 0.000 2.152 271 R HA -0.238 nan 4.340 nan 0.000 0.232 271 R C 1.171 177.513 176.300 0.069 0.000 1.117 271 R CA 3.064 59.300 56.100 0.227 0.000 0.981 271 R CB -0.807 29.592 30.300 0.164 0.000 0.870 271 R HN -0.452 7.958 8.270 0.293 0.035 0.451 272 A N -2.123 120.710 122.820 0.022 0.000 2.327 272 A HA 0.146 nan 4.320 nan 0.000 0.228 272 A C 0.009 177.568 177.584 -0.042 0.000 1.275 272 A CA -0.192 51.837 52.037 -0.012 0.000 0.875 272 A CB -0.655 18.336 19.000 -0.015 0.000 0.925 272 A HN -0.025 8.001 8.150 0.029 0.141 0.493 273 D N -0.709 119.651 120.400 -0.068 0.000 2.352 273 D HA -0.018 nan 4.640 nan 0.000 0.232 273 D C -0.162 176.077 176.300 -0.102 0.000 1.055 273 D CA 1.815 55.757 54.000 -0.096 0.000 0.891 273 D CB 0.007 40.721 40.800 -0.144 0.000 0.897 273 D HN -0.362 7.816 8.370 -0.060 0.156 0.529 274 M N -4.536 115.002 119.600 -0.103 0.000 2.404 274 M HA 0.448 nan 4.480 nan 0.000 0.271 274 M C 1.588 177.828 176.300 -0.100 0.000 1.128 274 M CA -2.346 52.855 55.300 -0.164 0.000 0.982 274 M CB -1.810 30.618 32.600 -0.286 0.000 1.445 274 M HN -0.821 7.349 8.290 -0.076 0.074 0.495 275 G N 1.600 110.368 108.800 -0.054 0.000 2.503 275 G HA2 -0.424 nan 3.960 nan 0.000 0.221 275 G HA3 -0.424 nan 3.960 nan 0.000 0.221 275 G C 0.435 175.322 174.900 -0.021 0.000 1.131 275 G CA 2.991 48.077 45.100 -0.024 0.000 0.756 275 G HN 0.124 8.206 8.290 -0.058 0.174 0.572 276 G N -0.004 108.768 108.800 -0.046 0.000 2.408 276 G HA2 -0.306 nan 3.960 nan 0.000 0.217 276 G HA3 -0.306 nan 3.960 nan 0.000 0.217 276 G C 0.424 175.310 174.900 -0.023 0.000 1.150 276 G CA 1.279 46.352 45.100 -0.046 0.000 0.776 276 G HN 0.161 8.387 8.290 -0.062 0.027 0.542 277 A N 1.698 124.500 122.820 -0.031 0.000 1.898 277 A HA -0.061 nan 4.320 nan 0.000 0.214 277 A C 1.705 179.450 177.584 0.269 0.000 1.183 277 A CA 2.491 54.559 52.037 0.052 0.000 0.622 277 A CB -0.673 18.219 19.000 -0.181 0.000 0.824 277 A HN -0.294 7.705 8.150 -0.087 0.099 0.444 278 A N -1.601 121.383 122.820 0.273 0.000 1.873 278 A HA -0.438 nan 4.320 nan 0.000 0.218 278 A C 2.097 179.744 177.584 0.105 0.000 1.193 278 A CA 3.548 55.741 52.037 0.260 0.000 0.629 278 A CB -0.972 18.133 19.000 0.174 0.000 0.826 278 A HN 0.199 8.432 8.150 0.139 0.000 0.447 279 T N 1.192 115.780 114.554 0.056 0.000 2.674 279 T HA -0.289 nan 4.350 nan 0.000 0.265 279 T C 1.782 176.512 174.700 0.049 0.000 1.039 279 T CA 5.283 67.394 62.100 0.018 0.000 1.150 279 T CB -0.265 68.589 68.868 -0.022 0.000 0.864 279 T HN -0.015 8.254 8.240 0.049 0.000 0.427 280 I N -1.516 119.096 120.570 0.070 0.000 2.286 280 I HA -0.251 nan 4.170 nan 0.000 0.245 280 I C 0.984 177.239 176.117 0.230 0.000 1.104 280 I CA 3.382 64.808 61.300 0.211 0.000 1.397 280 I CB -0.890 37.197 38.000 0.145 0.000 1.072 280 I HN -0.539 7.699 8.210 0.046 0.000 0.417 281 C N 0.722 120.102 119.300 0.134 0.000 2.425 281 C HA -0.335 nan 4.460 nan 0.000 0.277 281 C C 2.538 177.522 174.990 -0.009 0.000 1.280 281 C CA 4.848 63.897 59.018 0.051 0.000 1.744 281 C CB -2.436 25.321 27.740 0.029 0.000 1.989 281 C HN 0.163 8.480 8.230 0.145 0.000 0.491 282 S N 0.252 115.948 115.700 -0.006 0.000 2.387 282 S HA -0.253 nan 4.470 nan 0.000 0.226 282 S C 1.709 176.276 174.600 -0.056 0.000 1.026 282 S CA 3.950 62.120 58.200 -0.050 0.000 0.972 282 S CB -0.407 62.764 63.200 -0.049 0.000 0.814 282 S HN 0.069 8.392 8.310 0.023 0.000 0.477 283 A N 2.168 124.990 122.820 0.004 0.000 1.933 283 A HA -0.248 nan 4.320 nan 0.000 0.218 283 A C 2.123 179.652 177.584 -0.091 0.000 1.175 283 A CA 3.177 55.213 52.037 -0.002 0.000 0.628 283 A CB -0.849 18.276 19.000 0.208 0.000 0.814 283 A HN -0.224 7.959 8.150 0.054 0.000 0.444 284 I N -1.673 118.836 120.570 -0.100 0.000 2.315 284 I HA -0.507 nan 4.170 nan 0.000 0.248 284 I C 1.701 177.680 176.117 -0.229 0.000 1.117 284 I CA 4.296 65.470 61.300 -0.209 0.000 1.404 284 I CB -0.081 37.816 38.000 -0.171 0.000 1.071 284 I HN -0.233 7.972 8.210 -0.008 0.000 0.419 285 V N 0.951 120.763 119.914 -0.169 0.000 2.287 285 V HA -0.574 nan 4.120 nan 0.000 0.248 285 V C 2.211 178.185 176.094 -0.201 0.000 1.053 285 V CA 4.992 67.187 62.300 -0.174 0.000 1.027 285 V CB -1.152 30.593 31.823 -0.129 0.000 0.646 285 V HN 0.114 8.228 8.190 -0.127 0.000 0.447 286 S N -0.579 115.010 115.700 -0.186 0.000 2.368 286 S HA -0.373 nan 4.470 nan 0.000 0.225 286 S C 2.076 176.534 174.600 -0.237 0.000 1.030 286 S CA 4.011 62.093 58.200 -0.197 0.000 0.999 286 S CB -0.550 62.513 63.200 -0.229 0.000 0.844 286 S HN 0.134 8.347 8.310 -0.162 0.000 0.459 287 A N 0.562 123.211 122.820 -0.286 0.000 1.902 287 A HA -0.255 nan 4.320 nan 0.000 0.217 287 A C 1.540 178.812 177.584 -0.520 0.000 1.181 287 A CA 3.012 54.858 52.037 -0.318 0.000 0.623 287 A CB -0.878 17.931 19.000 -0.317 0.000 0.818 287 A HN 0.032 7.939 8.150 -0.274 0.079 0.443 288 A N -2.660 119.685 122.820 -0.792 0.000 1.968 288 A HA -0.208 nan 4.320 nan 0.000 0.217 288 A C 2.663 180.045 177.584 -0.337 0.000 1.169 288 A CA 2.720 54.192 52.037 -0.943 0.000 0.638 288 A CB -0.682 17.862 19.000 -0.759 0.000 0.812 288 A HN -0.137 7.614 8.150 -0.665 0.000 0.446 289 K N -1.301 118.966 120.400 -0.221 0.000 2.288 289 K HA -0.231 nan 4.320 nan 0.000 0.201 289 K C 1.280 177.848 176.600 -0.053 0.000 1.048 289 K CA 2.411 58.637 56.287 -0.101 0.000 0.956 289 K CB 0.094 32.546 32.500 -0.080 0.000 0.746 289 K HN -0.287 7.727 8.250 -0.248 0.087 0.461 290 L N -1.676 119.505 121.223 -0.071 0.000 2.592 290 L HA 0.043 nan 4.340 nan 0.000 0.227 290 L C -0.981 175.914 176.870 0.042 0.000 1.127 290 L CA -0.662 54.187 54.840 0.014 0.000 0.884 290 L CB -0.112 41.965 42.059 0.029 0.000 1.065 290 L HN -0.470 7.527 8.230 -0.145 0.146 0.457 291 D N -2.329 118.086 120.400 0.025 0.000 2.706 291 D HA -0.423 nan 4.640 nan 0.000 0.230 291 D C -0.579 175.809 176.300 0.148 0.000 1.184 291 D CA 1.478 55.552 54.000 0.123 0.000 0.628 291 D CB -0.889 39.975 40.800 0.106 0.000 1.019 291 D HN -0.510 7.644 8.370 -0.036 0.195 0.415 292 L N 0.373 121.681 121.223 0.142 0.000 2.455 292 L HA 0.027 nan 4.340 nan 0.000 0.272 292 L C -0.547 176.437 176.870 0.189 0.000 1.174 292 L CA -1.376 53.543 54.840 0.132 0.000 0.869 292 L CB 0.300 42.408 42.059 0.083 0.000 1.130 292 L HN -0.514 7.737 8.230 0.069 0.020 0.474 293 P HA 0.173 nan 4.420 nan 0.000 0.212 293 P C -1.914 175.412 177.300 0.044 0.000 1.816 293 P CA -0.625 62.509 63.100 0.057 0.000 0.944 293 P CB -1.650 30.067 31.700 0.028 0.000 1.896 294 I N -3.400 117.204 120.570 0.057 0.000 3.095 294 I HA 0.184 nan 4.170 nan 0.000 0.310 294 I C -1.737 174.354 176.117 -0.044 0.000 1.196 294 I CA -2.194 59.123 61.300 0.027 0.000 0.985 294 I CB 2.790 40.823 38.000 0.055 0.000 1.250 294 I HN -0.439 7.789 8.210 0.118 0.053 0.446 295 N N 1.134 119.803 118.700 -0.053 0.000 2.426 295 N HA 0.548 nan 4.740 nan 0.000 0.275 295 N C -1.470 174.003 175.510 -0.062 0.000 1.019 295 N CA -0.123 52.879 53.050 -0.079 0.000 0.941 295 N CB 1.202 39.664 38.487 -0.041 0.000 1.123 295 N HN -0.172 8.361 8.380 -0.020 -0.165 0.486 296 I N 3.098 123.638 120.570 -0.051 0.000 2.499 296 I HA 0.573 nan 4.170 nan 0.000 0.288 296 I C -1.820 174.202 176.117 -0.159 0.000 1.048 296 I CA -0.858 60.363 61.300 -0.131 0.000 1.062 296 I CB 3.192 41.095 38.000 -0.162 0.000 1.238 296 I HN 0.607 8.807 8.210 -0.015 0.000 0.426 297 V N 5.944 125.693 119.914 -0.275 0.000 2.547 297 V HA 0.724 nan 4.120 nan 0.000 0.299 297 V C -1.047 174.872 176.094 -0.292 0.000 1.040 297 V CA -2.159 59.871 62.300 -0.450 0.000 0.913 297 V CB 2.131 33.458 31.823 -0.826 0.000 0.992 297 V HN 0.487 8.525 8.190 -0.254 0.000 0.449 298 G N 3.477 112.145 108.800 -0.221 0.000 2.530 298 G HA2 0.863 nan 3.960 nan 0.000 0.316 298 G HA3 0.863 nan 3.960 nan 0.000 0.316 298 G C -3.306 171.564 174.900 -0.049 0.000 1.298 298 G CA -1.186 43.878 45.100 -0.060 0.000 0.948 298 G HN 0.482 8.507 8.290 -0.276 0.099 0.486 299 L N 4.435 125.656 121.223 -0.004 0.000 2.372 299 L HA 0.668 nan 4.340 nan 0.000 0.273 299 L C -2.637 174.111 176.870 -0.204 0.000 0.989 299 L CA -0.922 53.893 54.840 -0.041 0.000 0.841 299 L CB 3.047 45.220 42.059 0.189 0.000 1.225 299 L HN 0.235 8.489 8.230 0.039 0.000 0.414 300 A N 5.723 128.302 122.820 -0.401 0.000 2.410 300 A HA 0.700 nan 4.320 nan 0.000 0.289 300 A C -3.195 174.032 177.584 -0.596 0.000 1.200 300 A CA -2.934 48.889 52.037 -0.356 0.000 0.751 300 A CB 1.567 20.485 19.000 -0.138 0.000 1.161 300 A HN 0.765 8.628 8.150 -0.477 0.000 0.459 301 P HA 0.355 nan 4.420 nan 0.000 0.276 301 P C -2.040 175.005 177.300 -0.426 0.000 1.264 301 P CA -0.077 62.560 63.100 -0.773 0.000 0.769 301 P CB -0.142 30.913 31.700 -1.075 0.000 0.840 302 L N 4.684 125.814 121.223 -0.155 0.000 2.305 302 L HA 0.754 nan 4.340 nan 0.000 0.284 302 L C -0.948 176.022 176.870 0.166 0.000 1.013 302 L CA -1.324 53.484 54.840 -0.054 0.000 0.819 302 L CB 0.151 42.156 42.059 -0.089 0.000 1.227 302 L HN 0.618 8.825 8.230 -0.038 0.000 0.417 303 C N 0.918 120.290 119.300 0.121 0.000 3.284 303 C HA 0.556 nan 4.460 nan 0.000 0.348 303 C C -2.373 172.665 174.990 0.079 0.000 1.448 303 C CA -2.269 56.839 59.018 0.150 0.000 1.223 303 C CB 3.025 30.918 27.740 0.254 0.000 1.588 303 C HN 0.938 9.186 8.230 0.029 0.000 0.451 304 E N -0.081 120.166 120.200 0.079 0.000 2.207 304 E HA 0.456 nan 4.350 nan 0.000 0.270 304 E C -1.732 174.903 176.600 0.059 0.000 0.927 304 E CA -1.649 54.798 56.400 0.079 0.000 0.799 304 E CB 3.087 32.847 29.700 0.100 0.000 1.172 304 E HN 0.315 8.724 8.360 0.080 0.000 0.404 305 N N 6.069 124.789 118.700 0.033 0.000 2.558 305 N HA 0.252 nan 4.740 nan 0.000 0.242 305 N C -1.899 173.634 175.510 0.038 0.000 0.979 305 N CA -0.614 52.444 53.050 0.012 0.000 0.931 305 N CB 1.164 39.628 38.487 -0.038 0.000 1.122 305 N HN 0.526 8.916 8.380 0.017 0.000 0.508 306 M N 3.328 122.962 119.600 0.056 0.000 2.465 306 M HA 0.430 nan 4.480 nan 0.000 0.316 306 M C -2.599 173.728 176.300 0.045 0.000 1.121 306 M CA -4.303 51.042 55.300 0.074 0.000 0.934 306 M CB 1.607 34.258 32.600 0.086 0.000 1.692 306 M HN 0.138 8.454 8.290 0.043 0.000 0.444 307 P HA 0.069 nan 4.420 nan 0.000 0.276 307 P C -1.849 175.466 177.300 0.026 0.000 1.230 307 P CA 0.049 63.167 63.100 0.029 0.000 0.776 307 P CB 0.203 31.921 31.700 0.029 0.000 0.888 308 S N 2.221 117.931 115.700 0.018 0.000 2.655 308 S HA -0.014 nan 4.470 nan 0.000 0.266 308 S C 0.897 175.503 174.600 0.010 0.000 1.149 308 S CA -0.590 57.619 58.200 0.014 0.000 0.818 308 S CB 1.235 64.444 63.200 0.014 0.000 1.130 308 S HN -0.184 8.135 8.310 0.015 0.000 0.476 309 G N -0.876 107.929 108.800 0.008 0.000 2.882 309 G HA2 -0.030 nan 3.960 nan 0.000 0.206 309 G HA3 -0.030 nan 3.960 nan 0.000 0.206 309 G C -0.181 174.721 174.900 0.003 0.000 1.155 309 G CA 0.636 45.739 45.100 0.005 0.000 0.800 309 G HN 0.378 8.673 8.290 0.008 0.000 0.524 310 K N -2.599 117.803 120.400 0.003 0.000 2.483 310 K HA 0.242 nan 4.320 nan 0.000 0.206 310 K C -0.394 176.205 176.600 -0.001 0.000 1.086 310 K CA -1.438 54.849 56.287 -0.000 0.000 1.052 310 K CB 0.833 33.331 32.500 -0.003 0.000 0.904 310 K HN -0.521 7.669 8.250 0.005 0.063 0.557 311 A N 1.563 124.385 122.820 0.003 0.000 2.448 311 A HA -0.070 nan 4.320 nan 0.000 0.239 311 A C -0.443 177.141 177.584 0.001 0.000 1.080 311 A CA 0.378 52.417 52.037 0.003 0.000 0.779 311 A CB 1.136 20.140 19.000 0.008 0.000 1.026 311 A HN -0.553 7.493 8.150 0.005 0.107 0.499 312 N N -0.470 118.230 118.700 0.000 0.000 2.353 312 N HA -0.238 nan 4.740 nan 0.000 0.248 312 N C -0.765 174.745 175.510 0.001 0.000 1.240 312 N CA 1.066 54.117 53.050 0.000 0.000 0.862 312 N CB 0.761 39.248 38.487 0.000 0.000 1.086 312 N HN 0.283 8.664 8.380 0.001 0.000 0.453 313 K N 1.964 122.365 120.400 0.002 0.000 2.221 313 K HA 0.436 nan 4.320 nan 0.000 0.258 313 K C -2.281 174.320 176.600 0.002 0.000 0.944 313 K CA -3.018 53.270 56.287 0.002 0.000 0.823 313 K CB 0.828 33.330 32.500 0.003 0.000 1.113 313 K HN -0.314 8.196 8.250 0.003 -0.259 0.431 314 P HA -0.453 nan 4.420 nan 0.000 0.259 314 P C -0.228 177.074 177.300 0.004 0.000 1.163 314 P CA 1.571 64.671 63.100 0.000 0.000 0.760 314 P CB -0.436 31.264 31.700 -0.000 0.000 0.762 315 G N 5.103 113.907 108.800 0.006 0.000 2.213 315 G HA2 -0.426 nan 3.960 nan 0.000 0.236 315 G HA3 -0.426 nan 3.960 nan 0.000 0.236 315 G C -0.264 174.643 174.900 0.012 0.000 0.991 315 G CA -0.264 44.842 45.100 0.009 0.000 0.629 315 G HN 0.712 8.890 8.290 0.006 0.115 0.517 316 D N 2.356 122.763 120.400 0.012 0.000 2.382 316 D HA -0.012 nan 4.640 nan 0.000 0.240 316 D C -1.134 175.179 176.300 0.022 0.000 1.146 316 D CA 0.823 54.831 54.000 0.014 0.000 0.897 316 D CB 1.139 41.946 40.800 0.011 0.000 1.197 316 D HN -0.493 7.814 8.370 0.009 0.069 0.432 317 V N 2.182 122.109 119.914 0.022 0.000 2.409 317 V HA 0.466 nan 4.120 nan 0.000 0.291 317 V C -0.524 175.587 176.094 0.029 0.000 1.020 317 V CA -0.747 61.571 62.300 0.031 0.000 0.848 317 V CB 2.105 33.943 31.823 0.025 0.000 0.990 317 V HN -0.211 7.988 8.190 0.016 0.000 0.430 318 V N 3.571 123.510 119.914 0.041 0.000 2.975 318 V HA 0.677 nan 4.120 nan 0.000 0.318 318 V C -2.385 173.736 176.094 0.046 0.000 1.077 318 V CA -3.364 58.958 62.300 0.036 0.000 1.000 318 V CB 3.518 35.364 31.823 0.037 0.000 1.066 318 V HN 0.834 9.057 8.190 0.055 0.000 0.452 319 R N 1.256 121.776 120.500 0.033 0.000 2.343 319 R HA 0.599 nan 4.340 nan 0.000 0.320 319 R C -1.047 175.278 176.300 0.041 0.000 0.956 319 R CA -1.387 54.736 56.100 0.038 0.000 0.836 319 R CB 2.513 32.824 30.300 0.017 0.000 1.151 319 R HN 0.375 8.658 8.270 0.022 0.000 0.450 320 A N 5.654 128.518 122.820 0.073 0.000 2.272 320 A HA 0.324 nan 4.320 nan 0.000 0.275 320 A C -0.010 177.607 177.584 0.055 0.000 1.096 320 A CA -1.139 50.935 52.037 0.063 0.000 0.822 320 A CB 1.520 20.587 19.000 0.113 0.000 1.088 320 A HN 0.864 9.075 8.150 0.103 0.000 0.495 321 R N 0.730 121.250 120.500 0.034 0.000 2.159 321 R HA -0.383 nan 4.340 nan 0.000 0.237 321 R C 0.367 176.680 176.300 0.021 0.000 1.131 321 R CA 2.754 58.860 56.100 0.011 0.000 0.982 321 R CB -0.184 30.117 30.300 0.001 0.000 0.868 321 R HN 0.441 9.079 8.270 0.023 -0.354 0.453 322 N N -5.828 112.910 118.700 0.064 0.000 2.421 322 N HA -0.025 nan 4.740 nan 0.000 0.201 322 N C 0.797 176.311 175.510 0.007 0.000 1.198 322 N CA -0.070 52.994 53.050 0.023 0.000 0.838 322 N CB -0.393 38.106 38.487 0.020 0.000 1.011 322 N HN -0.304 8.136 8.380 0.126 0.016 0.463 323 G N 0.711 109.522 108.800 0.018 0.000 2.245 323 G HA2 -0.344 nan 3.960 nan 0.000 0.264 323 G HA3 -0.344 nan 3.960 nan 0.000 0.264 323 G C -0.560 174.346 174.900 0.011 0.000 0.985 323 G CA 0.629 45.731 45.100 0.003 0.000 0.625 323 G HN 0.269 8.411 8.290 0.026 0.163 0.536 324 K N 1.623 122.040 120.400 0.029 0.000 2.382 324 K HA -0.009 nan 4.320 nan 0.000 0.275 324 K C -0.409 176.233 176.600 0.070 0.000 1.009 324 K CA 0.128 56.424 56.287 0.015 0.000 0.970 324 K CB 0.239 32.705 32.500 -0.056 0.000 0.934 324 K HN -0.419 7.765 8.250 0.040 0.090 0.479 325 T N -1.641 112.938 114.554 0.041 0.000 2.922 325 T HA 0.729 nan 4.350 nan 0.000 0.285 325 T C -0.667 174.087 174.700 0.089 0.000 1.005 325 T CA -1.929 60.205 62.100 0.058 0.000 1.061 325 T CB 1.156 70.043 68.868 0.031 0.000 1.007 325 T HN -0.147 8.326 8.240 0.010 -0.227 0.502 326 I N 0.736 121.374 120.570 0.113 0.000 2.534 326 I HA 0.376 nan 4.170 nan 0.000 0.288 326 I C -2.200 173.991 176.117 0.124 0.000 1.077 326 I CA -0.411 60.992 61.300 0.172 0.000 1.051 326 I CB 3.181 41.333 38.000 0.253 0.000 1.234 326 I HN 0.357 8.623 8.210 0.093 0.000 0.425 327 Q N 7.086 126.957 119.800 0.118 0.000 2.314 327 Q HA 0.312 nan 4.340 nan 0.000 0.257 327 Q C -0.923 175.120 176.000 0.071 0.000 0.975 327 Q CA -0.808 55.040 55.803 0.075 0.000 0.933 327 Q CB 1.590 30.361 28.738 0.056 0.000 1.195 327 Q HN 0.342 8.698 8.270 0.143 0.000 0.426 328 V N 9.190 129.131 119.914 0.045 0.000 2.229 328 V HA -0.129 nan 4.120 nan 0.000 0.245 328 V C -0.200 175.897 176.094 0.005 0.000 1.243 328 V CA 0.412 62.723 62.300 0.019 0.000 1.176 328 V CB -1.888 29.943 31.823 0.013 0.000 1.323 328 V HN 0.854 9.069 8.190 0.042 0.000 0.499 329 D N 9.013 129.413 120.400 0.000 0.000 2.224 329 D HA -0.052 nan 4.640 nan 0.000 0.205 329 D C -0.352 175.940 176.300 -0.012 0.000 0.965 329 D CA 2.614 56.612 54.000 -0.003 0.000 0.852 329 D CB 0.541 41.340 40.800 -0.002 0.000 0.947 329 D HN -0.024 8.461 8.370 0.001 -0.115 0.494 330 N N -2.868 115.817 118.700 -0.026 0.000 2.397 330 N HA 0.294 nan 4.740 nan 0.000 0.291 330 N C 0.365 175.850 175.510 -0.041 0.000 1.065 330 N CA -0.229 52.802 53.050 -0.031 0.000 0.884 330 N CB 2.403 40.868 38.487 -0.036 0.000 1.551 330 N HN -0.493 8.174 8.380 -0.036 -0.308 0.487 331 T N 0.759 115.294 114.554 -0.032 0.000 3.085 331 T HA -0.031 nan 4.350 nan 0.000 0.263 331 T C 0.683 175.355 174.700 -0.047 0.000 1.127 331 T CA 2.028 64.108 62.100 -0.033 0.000 1.103 331 T CB -0.217 68.640 68.868 -0.019 0.000 0.921 331 T HN 0.714 8.940 8.240 -0.025 0.000 0.510 332 D N 2.308 122.677 120.400 -0.053 0.000 2.363 332 D HA -0.062 nan 4.640 nan 0.000 0.220 332 D C -0.030 176.219 176.300 -0.084 0.000 0.994 332 D CA 0.632 54.591 54.000 -0.067 0.000 0.890 332 D CB 0.154 40.919 40.800 -0.059 0.000 0.906 332 D HN -0.454 8.118 8.370 -0.045 -0.229 0.530 333 A N 0.187 122.948 122.820 -0.098 0.000 3.258 333 A HA 0.205 nan 4.320 nan 0.000 0.275 333 A C 0.124 177.616 177.584 -0.153 0.000 1.452 333 A CA -0.706 51.246 52.037 -0.143 0.000 1.120 333 A CB -1.128 17.765 19.000 -0.178 0.000 1.107 333 A HN -0.586 7.354 8.150 -0.087 0.159 0.651 334 E N 2.005 122.141 120.200 -0.106 0.000 2.086 334 E HA -0.185 nan 4.350 nan 0.000 0.190 334 E C 1.315 177.872 176.600 -0.071 0.000 0.975 334 E CA 2.688 59.042 56.400 -0.075 0.000 0.813 334 E CB -0.886 28.787 29.700 -0.045 0.000 0.768 334 E HN -0.596 7.604 8.360 -0.095 0.103 0.457 335 G N 0.556 109.308 108.800 -0.079 0.000 2.503 335 G HA2 -0.393 nan 3.960 nan 0.000 0.221 335 G HA3 -0.393 nan 3.960 nan 0.000 0.221 335 G C 1.380 176.240 174.900 -0.066 0.000 1.131 335 G CA 2.155 47.216 45.100 -0.066 0.000 0.756 335 G HN 0.616 8.858 8.290 -0.081 0.000 0.572 336 R N 0.376 120.800 120.500 -0.128 0.000 2.115 336 R HA -0.384 nan 4.340 nan 0.000 0.239 336 R C 2.316 178.597 176.300 -0.032 0.000 1.133 336 R CA 3.216 59.206 56.100 -0.185 0.000 0.935 336 R CB -0.600 29.316 30.300 -0.642 0.000 0.853 336 R HN -0.010 8.152 8.270 -0.155 0.015 0.433 337 L N -2.130 119.054 121.223 -0.065 0.000 2.046 337 L HA -0.345 nan 4.340 nan 0.000 0.208 337 L C 2.223 179.099 176.870 0.010 0.000 1.077 337 L CA 2.726 57.573 54.840 0.013 0.000 0.747 337 L CB -0.314 41.755 42.059 0.016 0.000 0.896 337 L HN -0.746 7.321 8.230 -0.125 0.088 0.432 338 I N -1.086 119.493 120.570 0.014 0.000 2.252 338 I HA -0.482 nan 4.170 nan 0.000 0.245 338 I C 1.805 177.890 176.117 -0.055 0.000 1.102 338 I CA 4.328 65.634 61.300 0.009 0.000 1.385 338 I CB 0.275 38.268 38.000 -0.012 0.000 1.064 338 I HN -0.350 7.768 8.210 -0.003 0.090 0.414 339 L N -1.609 119.589 121.223 -0.042 0.000 2.201 339 L HA -0.384 nan 4.340 nan 0.000 0.212 339 L C 1.761 178.597 176.870 -0.056 0.000 1.105 339 L CA 2.746 57.578 54.840 -0.013 0.000 0.775 339 L CB -0.739 41.338 42.059 0.031 0.000 0.913 339 L HN 0.007 8.218 8.230 -0.032 0.000 0.440 340 A N -0.351 122.350 122.820 -0.199 0.000 1.908 340 A HA -0.413 nan 4.320 nan 0.000 0.218 340 A C 1.702 179.072 177.584 -0.357 0.000 1.181 340 A CA 3.870 55.526 52.037 -0.635 0.000 0.627 340 A CB -1.164 17.144 19.000 -1.154 0.000 0.818 340 A HN 0.192 8.154 8.150 -0.132 0.109 0.445 341 D N -1.560 118.758 120.400 -0.136 0.000 2.149 341 D HA -0.198 nan 4.640 nan 0.000 0.201 341 D C 2.017 178.395 176.300 0.130 0.000 0.972 341 D CA 2.953 56.961 54.000 0.013 0.000 0.835 341 D CB -0.402 40.448 40.800 0.084 0.000 0.966 341 D HN -0.580 7.725 8.370 -0.109 0.000 0.476 342 A N 0.127 123.050 122.820 0.172 0.000 1.930 342 A HA -0.143 nan 4.320 nan 0.000 0.217 342 A C 2.105 179.896 177.584 0.344 0.000 1.175 342 A CA 3.033 55.280 52.037 0.349 0.000 0.627 342 A CB -0.441 18.709 19.000 0.251 0.000 0.815 342 A HN -0.543 7.660 8.150 0.087 0.000 0.443 343 L N -3.368 117.988 121.223 0.222 0.000 2.291 343 L HA -0.336 nan 4.340 nan 0.000 0.214 343 L C 1.263 178.318 176.870 0.308 0.000 1.120 343 L CA 2.325 57.317 54.840 0.254 0.000 0.799 343 L CB -0.351 41.807 42.059 0.165 0.000 0.925 343 L HN 0.291 8.602 8.230 0.135 0.000 0.446 344 C N 0.022 119.448 119.300 0.210 0.000 2.476 344 C HA -0.321 nan 4.460 nan 0.000 0.278 344 C C 2.233 177.378 174.990 0.259 0.000 1.274 344 C CA 4.310 63.405 59.018 0.129 0.000 1.713 344 C CB -1.976 25.818 27.740 0.091 0.000 2.039 344 C HN -0.446 7.761 8.230 0.164 0.122 0.484 345 Y N 1.745 122.147 120.300 0.169 0.000 2.274 345 Y HA -0.433 nan 4.550 nan 0.000 0.290 345 Y C 1.643 177.747 175.900 0.339 0.000 1.145 345 Y CA 2.698 60.908 58.100 0.184 0.000 1.203 345 Y CB -0.305 38.253 38.460 0.164 0.000 0.984 345 Y HN -0.107 8.408 8.280 0.392 0.000 0.533 346 A N -1.026 122.049 122.820 0.425 0.000 1.986 346 A HA -0.397 nan 4.320 nan 0.000 0.220 346 A C 2.159 179.922 177.584 0.297 0.000 1.171 346 A CA 2.938 55.203 52.037 0.379 0.000 0.640 346 A CB -1.138 18.028 19.000 0.277 0.000 0.811 346 A HN 0.047 8.481 8.150 0.487 0.008 0.451 347 H N -2.753 116.398 119.070 0.134 0.000 2.423 347 H HA -0.173 nan 4.556 nan 0.000 0.297 347 H C 2.665 178.007 175.328 0.023 0.000 1.075 347 H CA 3.826 59.938 56.048 0.106 0.000 1.342 347 H CB -0.473 29.339 29.762 0.084 0.000 1.395 347 H HN -0.263 8.196 8.280 0.558 0.156 0.530 348 T N 2.653 117.198 114.554 -0.015 0.000 2.721 348 T HA -0.310 nan 4.350 nan 0.000 0.268 348 T C 1.181 175.689 174.700 -0.320 0.000 1.038 348 T CA 3.900 65.837 62.100 -0.273 0.000 1.145 348 T CB -0.577 67.927 68.868 -0.607 0.000 0.858 348 T HN -0.372 7.738 8.240 -0.007 0.125 0.459 349 F N -1.980 117.933 119.950 -0.063 0.000 2.771 349 F HA -0.012 nan 4.527 nan 0.000 0.299 349 F C -0.337 175.474 175.800 0.017 0.000 1.177 349 F CA 0.191 58.174 58.000 -0.028 0.000 1.450 349 F CB -0.169 38.803 39.000 -0.046 0.000 1.114 349 F HN -0.782 7.505 8.300 0.019 0.024 0.587 350 N N -1.993 116.794 118.700 0.146 0.000 2.705 350 N HA -0.245 nan 4.740 nan 0.000 0.255 350 N C -2.666 172.943 175.510 0.166 0.000 1.008 350 N CA -0.077 53.052 53.050 0.132 0.000 0.742 350 N CB -0.905 37.637 38.487 0.090 0.000 0.906 350 N HN -0.369 7.976 8.380 0.099 0.094 0.541 351 P HA 0.071 nan 4.420 nan 0.000 0.274 351 P C -0.427 177.042 177.300 0.280 0.000 1.231 351 P CA -0.396 62.815 63.100 0.185 0.000 0.790 351 P CB 0.837 32.591 31.700 0.089 0.000 0.951 352 K N 0.864 121.387 120.400 0.206 0.000 2.116 352 K HA 0.109 nan 4.320 nan 0.000 0.203 352 K C -0.139 176.670 176.600 0.349 0.000 1.052 352 K CA 2.680 59.115 56.287 0.247 0.000 0.952 352 K CB 0.615 33.239 32.500 0.207 0.000 0.729 352 K HN 0.399 8.730 8.250 0.136 0.000 0.446 353 V N -3.677 116.362 119.914 0.208 0.000 2.888 353 V HA 0.345 nan 4.120 nan 0.000 0.309 353 V C -1.918 174.157 176.094 -0.033 0.000 1.114 353 V CA -1.205 61.196 62.300 0.169 0.000 0.940 353 V CB 4.180 36.171 31.823 0.281 0.000 1.021 353 V HN -0.720 7.544 8.190 0.122 0.000 0.426 354 I N 4.920 125.423 120.570 -0.112 0.000 2.411 354 I HA 0.619 nan 4.170 nan 0.000 0.284 354 I C -1.421 174.756 176.117 0.101 0.000 1.012 354 I CA -0.723 60.568 61.300 -0.015 0.000 1.119 354 I CB 1.649 39.627 38.000 -0.036 0.000 1.261 354 I HN 0.196 8.355 8.210 -0.084 0.000 0.448 355 I N 7.629 128.222 120.570 0.039 0.000 2.406 355 I HA 0.495 nan 4.170 nan 0.000 0.290 355 I C -1.938 174.116 176.117 -0.104 0.000 0.999 355 I CA -1.415 59.803 61.300 -0.135 0.000 1.124 355 I CB 1.982 39.766 38.000 -0.359 0.000 1.289 355 I HN 0.912 9.177 8.210 0.091 0.000 0.441 356 N N 5.976 124.656 118.700 -0.032 0.000 2.335 356 N HA 0.714 nan 4.740 nan 0.000 0.304 356 N C -2.522 172.958 175.510 -0.051 0.000 1.135 356 N CA -1.732 51.335 53.050 0.027 0.000 0.817 356 N CB 3.584 42.205 38.487 0.222 0.000 1.294 356 N HN 0.733 9.076 8.380 -0.062 0.000 0.497 357 A N -0.940 121.841 122.820 -0.066 0.000 2.393 357 A HA 0.935 nan 4.320 nan 0.000 0.306 357 A C -2.933 174.630 177.584 -0.034 0.000 1.050 357 A CA -1.514 50.466 52.037 -0.094 0.000 0.724 357 A CB 3.217 22.127 19.000 -0.150 0.000 1.248 357 A HN 0.582 8.704 8.150 -0.047 0.000 0.424 358 A N 2.653 125.454 122.820 -0.032 0.000 2.566 358 A HA 0.436 nan 4.320 nan 0.000 0.297 358 A C -1.930 175.641 177.584 -0.021 0.000 1.059 358 A CA -0.268 51.767 52.037 -0.003 0.000 0.691 358 A CB 3.314 22.360 19.000 0.076 0.000 1.282 358 A HN 0.157 8.259 8.150 -0.080 0.000 0.401 359 T N 1.392 115.927 114.554 -0.032 0.000 3.945 359 T HA 0.203 nan 4.350 nan 0.000 0.306 359 T C 0.543 175.227 174.700 -0.027 0.000 1.475 359 T CA -0.247 61.831 62.100 -0.036 0.000 1.177 359 T CB -1.993 66.846 68.868 -0.049 0.000 1.272 359 T HN 0.584 8.800 8.240 -0.040 0.000 0.930 360 L N 2.094 123.317 121.223 0.000 0.000 2.127 360 L HA 0.024 nan 4.340 nan 0.000 0.203 360 L C -0.323 176.538 176.870 -0.016 0.000 1.080 360 L CA 2.229 57.074 54.840 0.008 0.000 0.768 360 L CB 0.493 42.598 42.059 0.076 0.000 0.924 360 L HN -0.261 8.104 8.230 0.007 -0.131 0.444 361 T N -3.253 111.297 114.554 -0.006 0.000 2.991 361 T HA 0.258 nan 4.350 nan 0.000 0.303 361 T C 0.857 175.551 174.700 -0.010 0.000 1.015 361 T CA -0.153 61.940 62.100 -0.011 0.000 1.007 361 T CB 1.554 70.426 68.868 0.005 0.000 1.034 361 T HN -0.861 7.516 8.240 -0.001 -0.138 0.446 362 G N 5.992 114.782 108.800 -0.018 0.000 2.501 362 G HA2 -0.242 nan 3.960 nan 0.000 0.220 362 G HA3 -0.242 nan 3.960 nan 0.000 0.220 362 G C -0.159 174.737 174.900 -0.006 0.000 1.114 362 G CA 2.110 47.201 45.100 -0.015 0.000 0.757 362 G HN 0.663 8.938 8.290 -0.025 0.000 0.559 363 A N 0.264 123.085 122.820 0.001 0.000 2.015 363 A HA -0.116 nan 4.320 nan 0.000 0.219 363 A C 1.809 179.401 177.584 0.014 0.000 1.163 363 A CA 2.649 54.692 52.037 0.010 0.000 0.646 363 A CB -0.439 18.572 19.000 0.018 0.000 0.806 363 A HN -0.113 7.990 8.150 -0.002 0.046 0.448 364 M N -1.698 117.914 119.600 0.020 0.000 2.132 364 M HA -0.270 nan 4.480 nan 0.000 0.263 364 M C 1.681 177.977 176.300 -0.007 0.000 1.065 364 M CA 1.394 56.707 55.300 0.022 0.000 1.122 364 M CB -1.260 31.357 32.600 0.027 0.000 1.365 364 M HN -0.456 7.706 8.290 0.017 0.138 0.411 365 D N 0.546 120.939 120.400 -0.011 0.000 2.097 365 D HA -0.251 nan 4.640 nan 0.000 0.195 365 D C 2.822 179.106 176.300 -0.027 0.000 0.989 365 D CA 3.450 57.437 54.000 -0.022 0.000 0.827 365 D CB 0.003 40.792 40.800 -0.020 0.000 0.966 365 D HN -0.603 7.666 8.370 -0.007 0.097 0.456 366 I N -0.806 119.752 120.570 -0.020 0.000 2.264 366 I HA -0.399 nan 4.170 nan 0.000 0.248 366 I C 1.631 177.728 176.117 -0.033 0.000 1.111 366 I CA 2.423 63.710 61.300 -0.022 0.000 1.382 366 I CB -1.474 36.520 38.000 -0.011 0.000 1.060 366 I HN -0.229 7.973 8.210 -0.013 0.000 0.418 367 A N -0.761 122.040 122.820 -0.032 0.000 1.840 367 A HA -0.159 nan 4.320 nan 0.000 0.214 367 A C 1.168 178.698 177.584 -0.089 0.000 1.198 367 A CA 2.586 54.594 52.037 -0.048 0.000 0.608 367 A CB 0.500 19.483 19.000 -0.028 0.000 0.839 367 A HN -0.162 7.885 8.150 -0.019 0.092 0.443 368 L N -5.665 115.505 121.223 -0.089 0.000 2.817 368 L HA 0.333 nan 4.340 nan 0.000 0.248 368 L C 0.346 177.154 176.870 -0.103 0.000 1.133 368 L CA -0.915 53.846 54.840 -0.130 0.000 0.935 368 L CB 0.896 42.882 42.059 -0.123 0.000 1.266 368 L HN 0.074 8.268 8.230 -0.060 0.000 0.535 369 G N 1.291 110.049 108.800 -0.070 0.000 2.216 369 G HA2 -0.356 nan 3.960 nan 0.000 0.263 369 G HA3 -0.356 nan 3.960 nan 0.000 0.263 369 G C 0.045 174.914 174.900 -0.052 0.000 0.837 369 G CA 1.467 46.535 45.100 -0.055 0.000 1.227 369 G HN -0.236 7.927 8.290 -0.061 0.090 0.407 370 S N -3.045 112.629 115.700 -0.044 0.000 2.981 370 S HA -0.347 nan 4.470 nan 0.000 0.274 370 S C 1.171 175.750 174.600 -0.036 0.000 1.297 370 S CA 1.788 59.968 58.200 -0.034 0.000 1.266 370 S CB -2.091 61.092 63.200 -0.030 0.000 1.542 370 S HN 0.112 8.397 8.310 -0.041 0.000 0.674 371 G N 0.971 109.733 108.800 -0.064 0.000 2.448 371 G HA2 -0.239 nan 3.960 nan 0.000 0.218 371 G HA3 -0.239 nan 3.960 nan 0.000 0.218 371 G C -2.115 172.757 174.900 -0.047 0.000 1.135 371 G CA 0.862 45.915 45.100 -0.079 0.000 0.784 371 G HN 0.140 8.299 8.290 -0.080 0.083 0.543 372 A N -3.563 119.241 122.820 -0.026 0.000 2.605 372 A HA 0.454 nan 4.320 nan 0.000 0.294 372 A C -2.389 175.218 177.584 0.038 0.000 1.062 372 A CA -0.358 51.705 52.037 0.043 0.000 0.682 372 A CB 1.559 20.625 19.000 0.110 0.000 1.278 372 A HN -0.899 7.203 8.150 -0.044 0.022 0.410 373 T N -0.783 113.803 114.554 0.053 0.000 2.913 373 T HA 0.363 nan 4.350 nan 0.000 0.287 373 T C -0.349 174.371 174.700 0.034 0.000 1.008 373 T CA -1.696 60.415 62.100 0.018 0.000 1.067 373 T CB 1.781 70.643 68.868 -0.011 0.000 0.996 373 T HN 0.394 8.678 8.240 0.073 0.000 0.513 374 G N 1.163 109.954 108.800 -0.015 0.000 2.367 374 G HA2 0.636 nan 3.960 nan 0.000 0.314 374 G HA3 0.636 nan 3.960 nan 0.000 0.314 374 G C -2.932 171.891 174.900 -0.129 0.000 1.130 374 G CA -1.377 43.680 45.100 -0.072 0.000 0.864 374 G HN -0.245 8.028 8.290 -0.028 0.000 0.486 375 V N 2.791 122.564 119.914 -0.234 0.000 2.638 375 V HA 0.953 nan 4.120 nan 0.000 0.306 375 V C -2.364 173.486 176.094 -0.407 0.000 1.052 375 V CA -2.760 59.428 62.300 -0.187 0.000 0.885 375 V CB 3.128 34.953 31.823 0.003 0.000 0.999 375 V HN 0.168 8.179 8.190 -0.298 0.000 0.424 376 F N 7.825 127.652 119.950 -0.205 0.000 2.426 376 F HA 0.585 nan 4.527 nan 0.000 0.348 376 F C -1.832 173.777 175.800 -0.318 0.000 1.124 376 F CA -1.695 56.180 58.000 -0.209 0.000 1.008 376 F CB 2.522 41.467 39.000 -0.092 0.000 1.139 376 F HN 0.815 9.169 8.300 0.091 0.000 0.452 377 T N 4.265 118.768 114.554 -0.086 0.000 2.993 377 T HA 0.282 nan 4.350 nan 0.000 0.312 377 T C -0.509 174.239 174.700 0.081 0.000 1.115 377 T CA -2.115 59.937 62.100 -0.081 0.000 1.027 377 T CB 2.358 71.218 68.868 -0.014 0.000 1.116 377 T HN 0.234 8.427 8.240 -0.080 0.000 0.464 378 N N 5.697 124.522 118.700 0.209 0.000 2.521 378 N HA -0.084 nan 4.740 nan 0.000 0.188 378 N C -0.241 175.409 175.510 0.233 0.000 1.146 378 N CA 0.405 53.614 53.050 0.264 0.000 0.893 378 N CB 0.104 38.814 38.487 0.371 0.000 0.975 378 N HN 0.080 8.604 8.380 0.240 0.000 0.451 379 S N 0.155 115.995 115.700 0.233 0.000 2.552 379 S HA 0.271 nan 4.470 nan 0.000 0.314 379 S C 0.084 174.847 174.600 0.271 0.000 1.099 379 S CA -1.729 56.633 58.200 0.270 0.000 1.070 379 S CB 1.259 64.669 63.200 0.349 0.000 0.998 379 S HN -0.240 8.125 8.310 0.205 0.068 0.474 380 S N 10.824 126.674 115.700 0.250 0.000 2.423 380 S HA -0.221 nan 4.470 nan 0.000 0.231 380 S C 1.114 175.892 174.600 0.296 0.000 1.014 380 S CA 3.921 62.280 58.200 0.265 0.000 0.965 380 S CB -0.213 63.107 63.200 0.199 0.000 0.785 380 S HN 0.872 9.312 8.310 0.217 0.000 0.495 381 W N 2.484 123.877 121.300 0.156 0.000 2.355 381 W HA -0.296 nan 4.660 nan 0.000 0.309 381 W C 0.898 177.517 176.519 0.166 0.000 1.206 381 W CA 3.927 61.358 57.345 0.145 0.000 1.284 381 W CB -0.120 29.423 29.460 0.137 0.000 1.145 381 W HN -0.566 7.876 8.180 0.467 0.018 0.502 382 L N -1.933 119.459 121.223 0.282 0.000 2.017 382 L HA -0.553 nan 4.340 nan 0.000 0.208 382 L C 1.853 178.689 176.870 -0.058 0.000 1.073 382 L CA 3.259 58.136 54.840 0.061 0.000 0.745 382 L CB -0.233 41.933 42.059 0.179 0.000 0.894 382 L HN -0.210 8.329 8.230 0.514 0.000 0.432 383 W N -1.202 120.061 121.300 -0.062 0.000 2.318 383 W HA -0.594 nan 4.660 nan 0.000 0.313 383 W C 1.368 177.853 176.519 -0.057 0.000 1.221 383 W CA 3.353 60.643 57.345 -0.093 0.000 1.266 383 W CB -0.140 29.252 29.460 -0.115 0.000 1.150 383 W HN 0.118 8.458 8.180 0.266 0.000 0.496 384 N N -0.613 117.883 118.700 -0.340 0.000 2.104 384 N HA -0.372 nan 4.740 nan 0.000 0.190 384 N C 2.200 177.515 175.510 -0.326 0.000 1.024 384 N CA 3.671 56.508 53.050 -0.356 0.000 0.853 384 N CB -0.530 37.869 38.487 -0.146 0.000 1.008 384 N HN 0.035 8.273 8.380 -0.062 0.104 0.424 385 K N -0.098 120.093 120.400 -0.348 0.000 2.057 385 K HA -0.228 nan 4.320 nan 0.000 0.206 385 K C 2.491 179.056 176.600 -0.059 0.000 1.050 385 K CA 2.224 58.392 56.287 -0.199 0.000 0.935 385 K CB -0.665 31.742 32.500 -0.156 0.000 0.715 385 K HN -0.366 7.622 8.250 -0.437 0.000 0.439 386 L N -0.557 120.564 121.223 -0.170 0.000 2.027 386 L HA -0.235 nan 4.340 nan 0.000 0.206 386 L C 2.178 178.881 176.870 -0.277 0.000 1.074 386 L CA 2.548 57.269 54.840 -0.198 0.000 0.745 386 L CB -1.298 40.579 42.059 -0.303 0.000 0.898 386 L HN -0.288 7.781 8.230 -0.268 0.000 0.433 387 F N 0.577 120.081 119.950 -0.743 0.000 2.065 387 F HA -0.559 nan 4.527 nan 0.000 0.298 387 F C 2.133 177.740 175.800 -0.321 0.000 1.112 387 F CA 3.617 61.187 58.000 -0.717 0.000 1.212 387 F CB -0.030 38.250 39.000 -1.200 0.000 0.975 387 F HN 0.324 8.176 8.300 -0.747 0.000 0.476 388 E N -1.595 118.363 120.200 -0.402 0.000 2.085 388 E HA -0.520 nan 4.350 nan 0.000 0.194 388 E C 2.303 178.782 176.600 -0.201 0.000 0.994 388 E CA 3.019 59.227 56.400 -0.320 0.000 0.801 388 E CB -0.288 29.320 29.700 -0.153 0.000 0.743 388 E HN 0.020 8.227 8.360 -0.254 0.000 0.453 389 A N -1.669 121.091 122.820 -0.100 0.000 1.917 389 A HA -0.282 nan 4.320 nan 0.000 0.219 389 A C 2.209 179.776 177.584 -0.028 0.000 1.182 389 A CA 3.150 55.191 52.037 0.006 0.000 0.633 389 A CB -0.547 18.519 19.000 0.109 0.000 0.819 389 A HN -0.149 7.948 8.150 -0.089 0.000 0.448 390 S N -2.422 113.214 115.700 -0.107 0.000 2.527 390 S HA -0.155 nan 4.470 nan 0.000 0.222 390 S C 1.945 176.511 174.600 -0.057 0.000 0.985 390 S CA 2.485 60.653 58.200 -0.054 0.000 0.921 390 S CB -0.469 62.707 63.200 -0.040 0.000 0.772 390 S HN -0.438 7.640 8.310 -0.192 0.117 0.529 391 I N 3.046 123.503 120.570 -0.190 0.000 2.252 391 I HA -0.479 nan 4.170 nan 0.000 0.245 391 I C 1.439 177.577 176.117 0.036 0.000 1.102 391 I CA 4.413 65.649 61.300 -0.107 0.000 1.385 391 I CB -0.414 37.440 38.000 -0.243 0.000 1.064 391 I HN -0.448 7.443 8.210 -0.321 0.126 0.414 392 E N -1.365 118.839 120.200 0.007 0.000 2.106 392 E HA -0.297 nan 4.350 nan 0.000 0.192 392 E C 2.517 179.119 176.600 0.002 0.000 0.984 392 E CA 3.483 59.891 56.400 0.013 0.000 0.806 392 E CB -0.175 29.519 29.700 -0.010 0.000 0.750 392 E HN -0.532 7.806 8.360 -0.036 0.000 0.458 393 T N -8.454 106.125 114.554 0.041 0.000 3.057 393 T HA 0.224 nan 4.350 nan 0.000 0.254 393 T C 1.694 176.448 174.700 0.089 0.000 1.094 393 T CA 0.825 62.956 62.100 0.050 0.000 1.088 393 T CB 0.714 69.641 68.868 0.098 0.000 0.934 393 T HN -0.550 7.635 8.240 0.047 0.084 0.497 394 G N 1.921 110.817 108.800 0.160 0.000 2.179 394 G HA2 -0.455 nan 3.960 nan 0.000 0.260 394 G HA3 -0.455 nan 3.960 nan 0.000 0.260 394 G C -1.567 173.546 174.900 0.355 0.000 0.977 394 G CA 0.585 45.877 45.100 0.320 0.000 0.641 394 G HN -0.194 8.144 8.290 0.149 0.042 0.533 395 D N 1.651 122.180 120.400 0.216 0.000 2.485 395 D HA 0.235 nan 4.640 nan 0.000 0.229 395 D C -0.974 175.408 176.300 0.136 0.000 1.101 395 D CA -2.161 51.944 54.000 0.175 0.000 0.906 395 D CB 0.097 40.975 40.800 0.130 0.000 1.019 395 D HN -0.378 8.044 8.370 0.165 0.047 0.516 396 R N 1.807 122.400 120.500 0.155 0.000 2.738 396 R HA 0.133 nan 4.340 nan 0.000 0.268 396 R C -1.365 175.025 176.300 0.151 0.000 1.062 396 R CA 0.562 56.747 56.100 0.142 0.000 1.158 396 R CB 0.972 31.353 30.300 0.136 0.000 1.046 396 R HN -0.333 8.045 8.270 0.180 0.000 0.493 397 V N -0.300 119.748 119.914 0.223 0.000 2.823 397 V HA 0.565 nan 4.120 nan 0.000 0.312 397 V C -1.845 174.549 176.094 0.500 0.000 1.072 397 V CA -1.871 60.593 62.300 0.272 0.000 0.937 397 V CB 3.355 35.267 31.823 0.148 0.000 1.013 397 V HN 0.029 8.371 8.190 0.254 0.000 0.430 398 W N 6.442 127.863 121.300 0.200 0.000 3.097 398 W HA 0.285 nan 4.660 nan 0.000 0.335 398 W C -2.422 173.954 176.519 -0.239 0.000 1.114 398 W CA -1.211 56.174 57.345 0.066 0.000 1.231 398 W CB 3.911 33.339 29.460 -0.052 0.000 1.388 398 W HN 0.618 8.990 8.180 0.320 0.000 0.485 399 R N 6.012 125.869 120.500 -1.072 0.000 2.490 399 R HA 0.398 nan 4.340 nan 0.000 0.280 399 R C -1.001 174.807 176.300 -0.821 0.000 1.077 399 R CA 0.534 55.899 56.100 -1.224 0.000 1.065 399 R CB 1.211 30.365 30.300 -1.909 0.000 1.003 399 R HN 0.280 7.634 8.270 -1.528 0.000 0.470 400 M N 4.672 123.739 119.600 -0.889 0.000 2.591 400 M HA 0.435 nan 4.480 nan 0.000 0.306 400 M C -2.338 173.430 176.300 -0.886 0.000 1.190 400 M CA -3.756 50.990 55.300 -0.923 0.000 0.889 400 M CB 2.036 33.817 32.600 -1.364 0.000 1.728 400 M HN 0.564 8.280 8.290 -0.958 0.000 0.458 401 P HA 0.095 nan 4.420 nan 0.000 0.280 401 P C -1.574 175.592 177.300 -0.223 0.000 1.244 401 P CA -0.575 62.129 63.100 -0.660 0.000 0.784 401 P CB 0.558 31.516 31.700 -1.236 0.000 0.913 402 L N 3.685 124.857 121.223 -0.085 0.000 2.494 402 L HA 0.236 nan 4.340 nan 0.000 0.251 402 L C -1.537 175.585 176.870 0.420 0.000 1.119 402 L CA -1.112 53.872 54.840 0.241 0.000 1.026 402 L CB -0.592 41.637 42.059 0.283 0.000 1.370 402 L HN 0.050 8.184 8.230 -0.159 0.000 0.426 403 F N 1.861 122.067 119.950 0.426 0.000 2.422 403 F HA 0.231 nan 4.527 nan 0.000 0.333 403 F C 1.234 177.192 175.800 0.264 0.000 1.095 403 F CA -3.296 54.881 58.000 0.294 0.000 1.038 403 F CB 1.751 40.879 39.000 0.214 0.000 1.156 403 F HN -0.533 8.182 8.300 0.692 0.000 0.483 404 E N 4.423 124.822 120.200 0.332 0.000 2.333 404 E HA -0.458 nan 4.350 nan 0.000 0.198 404 E C 1.501 178.199 176.600 0.163 0.000 1.007 404 E CA 3.125 59.645 56.400 0.200 0.000 0.845 404 E CB -0.063 29.704 29.700 0.113 0.000 0.766 404 E HN 0.649 9.181 8.360 0.287 0.000 0.507 405 H N -0.625 118.448 119.070 0.006 0.000 2.352 405 H HA -0.307 nan 4.556 nan 0.000 0.299 405 H C 2.248 177.491 175.328 -0.141 0.000 1.097 405 H CA 3.585 59.538 56.048 -0.157 0.000 1.311 405 H CB -0.035 29.504 29.762 -0.371 0.000 1.377 405 H HN 0.081 8.444 8.280 0.241 0.062 0.504 406 Y N -4.199 116.340 120.300 0.398 0.000 2.420 406 Y HA -0.187 nan 4.550 nan 0.000 0.292 406 Y C 1.995 177.989 175.900 0.158 0.000 1.119 406 Y CA 2.607 60.878 58.100 0.285 0.000 1.229 406 Y CB -0.434 38.172 38.460 0.243 0.000 1.026 406 Y HN -0.227 8.124 8.280 0.285 0.099 0.554 407 T N 2.090 116.807 114.554 0.271 0.000 2.684 407 T HA -0.370 nan 4.350 nan 0.000 0.267 407 T C 2.496 177.244 174.700 0.079 0.000 1.036 407 T CA 4.266 66.457 62.100 0.152 0.000 1.148 407 T CB -0.696 68.242 68.868 0.115 0.000 0.863 407 T HN -0.643 7.701 8.240 0.312 0.083 0.436 408 R N 0.683 121.209 120.500 0.043 0.000 2.117 408 R HA -0.363 nan 4.340 nan 0.000 0.243 408 R C 2.779 179.057 176.300 -0.037 0.000 1.143 408 R CA 3.661 59.752 56.100 -0.016 0.000 0.968 408 R CB -0.303 29.962 30.300 -0.057 0.000 0.863 408 R HN 0.003 8.307 8.270 0.057 0.000 0.444 409 Q N -2.112 117.675 119.800 -0.022 0.000 2.291 409 Q HA -0.178 nan 4.340 nan 0.000 0.205 409 Q C 1.581 177.559 176.000 -0.037 0.000 0.970 409 Q CA 2.762 58.521 55.803 -0.074 0.000 0.876 409 Q CB -0.184 28.558 28.738 0.006 0.000 0.935 409 Q HN -0.317 7.857 8.270 0.028 0.113 0.455 410 V N -0.898 119.037 119.914 0.036 0.000 3.605 410 V HA 0.049 nan 4.120 nan 0.000 0.284 410 V C -0.208 175.916 176.094 0.050 0.000 1.386 410 V CA 1.081 63.426 62.300 0.074 0.000 1.053 410 V CB 0.525 32.446 31.823 0.163 0.000 0.857 410 V HN -0.049 8.002 8.190 0.055 0.172 0.436 411 I N 1.005 121.581 120.570 0.010 0.000 3.752 411 I HA -0.100 nan 4.170 nan 0.000 0.313 411 I C -1.440 174.664 176.117 -0.021 0.000 1.304 411 I CA -0.850 60.442 61.300 -0.013 0.000 1.171 411 I CB 0.226 38.212 38.000 -0.024 0.000 1.038 411 I HN -0.774 7.326 8.210 0.004 0.112 0.427 412 D N 0.560 120.947 120.400 -0.021 0.000 2.746 412 D HA -0.243 nan 4.640 nan 0.000 0.233 412 D C 0.894 177.184 176.300 -0.016 0.000 1.120 412 D CA 0.362 54.343 54.000 -0.031 0.000 1.421 412 D CB -1.783 38.995 40.800 -0.036 0.000 1.142 412 D HN -0.362 7.856 8.370 -0.009 0.146 0.479 413 C N 1.834 121.123 119.300 -0.017 0.000 2.243 413 C HA -0.491 nan 4.460 nan 0.000 0.264 413 C C 1.196 176.184 174.990 -0.004 0.000 1.110 413 C CA 1.429 60.440 59.018 -0.012 0.000 1.798 413 C CB -1.071 26.659 27.740 -0.016 0.000 1.843 413 C HN -0.100 8.116 8.230 -0.023 0.000 0.403 414 Q N -1.570 118.227 119.800 -0.006 0.000 2.015 414 Q HA -0.369 nan 4.340 nan 0.000 0.393 414 Q C 0.635 176.636 176.000 0.001 0.000 0.701 414 Q CA 2.344 58.146 55.803 -0.002 0.000 0.921 414 Q CB -1.023 27.715 28.738 -0.001 0.000 2.909 414 Q HN 0.036 8.301 8.270 -0.009 0.000 0.814 415 L N -2.024 119.203 121.223 0.006 0.000 2.375 415 L HA 0.052 nan 4.340 nan 0.000 0.215 415 L C 0.079 176.954 176.870 0.009 0.000 1.108 415 L CA 0.121 54.965 54.840 0.007 0.000 0.830 415 L CB 0.172 42.236 42.059 0.010 0.000 0.959 415 L HN 0.001 8.451 8.230 0.009 -0.215 0.457 416 A N -2.358 120.471 122.820 0.014 0.000 2.387 416 A HA 0.165 nan 4.320 nan 0.000 0.298 416 A C -0.429 177.158 177.584 0.006 0.000 1.165 416 A CA -1.078 50.970 52.037 0.018 0.000 0.814 416 A CB 2.351 21.376 19.000 0.041 0.000 1.357 416 A HN -0.472 7.687 8.150 0.015 0.000 0.443 417 D N -0.906 119.492 120.400 -0.004 0.000 2.123 417 D HA -0.160 nan 4.640 nan 0.000 0.196 417 D C 0.127 176.407 176.300 -0.032 0.000 0.992 417 D CA 2.582 56.562 54.000 -0.033 0.000 0.833 417 D CB 0.577 41.338 40.800 -0.065 0.000 0.954 417 D HN 0.109 8.481 8.370 0.002 0.000 0.455 418 V N -2.374 117.544 119.914 0.006 0.000 2.925 418 V HA 0.292 nan 4.120 nan 0.000 0.311 418 V C -2.378 173.805 176.094 0.148 0.000 1.104 418 V CA -2.184 60.140 62.300 0.039 0.000 0.954 418 V CB 3.822 35.600 31.823 -0.075 0.000 1.022 418 V HN -0.654 7.556 8.190 0.034 0.000 0.427 419 N N 6.044 124.849 118.700 0.174 0.000 2.492 419 N HA 0.512 nan 4.740 nan 0.000 0.289 419 N C -0.859 174.828 175.510 0.294 0.000 1.133 419 N CA -0.248 52.906 53.050 0.174 0.000 0.961 419 N CB 2.229 40.766 38.487 0.085 0.000 1.186 419 N HN 0.267 8.806 8.380 0.144 -0.073 0.493 420 N N 3.969 122.755 118.700 0.142 0.000 2.416 420 N HA -0.076 nan 4.740 nan 0.000 0.177 420 N C -0.281 175.110 175.510 -0.199 0.000 1.036 420 N CA 1.790 54.774 53.050 -0.109 0.000 0.901 420 N CB 1.326 39.760 38.487 -0.088 0.000 0.976 420 N HN 0.090 8.529 8.380 0.099 0.000 0.444 421 I N -6.244 114.288 120.570 -0.064 0.000 2.785 421 I HA 0.387 nan 4.170 nan 0.000 0.302 421 I C -0.299 175.815 176.117 -0.006 0.000 1.069 421 I CA -1.745 59.519 61.300 -0.060 0.000 1.045 421 I CB 3.046 41.018 38.000 -0.047 0.000 1.236 421 I HN -0.618 7.878 8.210 -0.008 -0.292 0.429 422 G N -0.074 108.731 108.800 0.007 0.000 2.614 422 G HA2 -0.128 nan 3.960 nan 0.000 0.239 422 G HA3 -0.128 nan 3.960 nan 0.000 0.239 422 G C -0.566 174.314 174.900 -0.033 0.000 1.240 422 G CA -0.316 44.794 45.100 0.016 0.000 0.842 422 G HN 0.081 8.371 8.290 0.001 0.000 0.584 423 K N 3.865 124.181 120.400 -0.141 0.000 2.063 423 K HA -0.309 nan 4.320 nan 0.000 0.208 423 K C -0.234 176.265 176.600 -0.168 0.000 1.048 423 K CA 1.961 58.094 56.287 -0.257 0.000 0.928 423 K CB 0.294 32.489 32.500 -0.509 0.000 0.713 423 K HN -0.059 8.098 8.250 -0.154 0.000 0.442 424 Y N -4.791 115.541 120.300 0.053 0.000 2.596 424 Y HA 0.245 nan 4.550 nan 0.000 0.326 424 Y C -0.047 175.886 175.900 0.055 0.000 1.167 424 Y CA -2.010 56.121 58.100 0.052 0.000 1.246 424 Y CB 0.606 39.105 38.460 0.065 0.000 1.347 424 Y HN -0.573 7.627 8.280 -0.133 0.000 0.515 425 R N -1.187 119.447 120.500 0.223 0.000 2.200 425 R HA -0.081 nan 4.340 nan 0.000 0.208 425 R C 0.167 176.550 176.300 0.139 0.000 1.033 425 R CA 0.762 56.944 56.100 0.135 0.000 1.000 425 R CB 0.159 30.513 30.300 0.089 0.000 0.906 425 R HN 0.461 8.860 8.270 0.215 0.000 0.462 426 S N 0.558 116.366 115.700 0.180 0.000 2.563 426 S HA -0.169 nan 4.470 nan 0.000 0.284 426 S C -0.260 174.464 174.600 0.208 0.000 1.331 426 S CA 0.600 58.905 58.200 0.175 0.000 1.047 426 S CB 0.401 63.714 63.200 0.188 0.000 0.859 426 S HN -0.521 7.882 8.310 0.212 0.034 0.514 427 A N 3.029 125.948 122.820 0.164 0.000 2.822 427 A HA -0.231 nan 4.320 nan 0.000 0.287 427 A C 1.180 178.800 177.584 0.060 0.000 1.479 427 A CA 0.326 52.441 52.037 0.130 0.000 0.779 427 A CB -1.049 18.132 19.000 0.302 0.000 1.022 427 A HN 0.642 8.871 8.150 0.132 0.000 0.532 428 G N -1.875 106.959 108.800 0.057 0.000 2.450 428 G HA2 -0.421 nan 3.960 nan 0.000 0.220 428 G HA3 -0.421 nan 3.960 nan 0.000 0.220 428 G C 0.548 175.437 174.900 -0.018 0.000 1.130 428 G CA 1.296 46.411 45.100 0.026 0.000 0.760 428 G HN 0.646 8.963 8.290 0.067 0.014 0.557 429 A N 1.500 124.317 122.820 -0.006 0.000 1.873 429 A HA -0.070 nan 4.320 nan 0.000 0.215 429 A C 2.041 179.513 177.584 -0.187 0.000 1.186 429 A CA 2.765 54.798 52.037 -0.006 0.000 0.616 429 A CB -0.736 18.360 19.000 0.160 0.000 0.823 429 A HN 0.229 8.376 8.150 0.017 0.014 0.442 430 C N -2.374 116.820 119.300 -0.177 0.000 2.429 430 C HA -0.284 nan 4.460 nan 0.000 0.277 430 C C 2.561 177.357 174.990 -0.323 0.000 1.262 430 C CA 3.494 62.242 59.018 -0.449 0.000 1.733 430 C CB -1.864 25.237 27.740 -1.066 0.000 2.010 430 C HN -0.270 7.901 8.230 -0.098 0.000 0.483 431 T N -3.105 111.393 114.554 -0.093 0.000 3.023 431 T HA -0.126 nan 4.350 nan 0.000 0.266 431 T C 1.610 176.315 174.700 0.009 0.000 1.093 431 T CA 3.447 65.584 62.100 0.062 0.000 1.129 431 T CB -0.784 68.167 68.868 0.138 0.000 0.899 431 T HN 0.388 8.590 8.240 -0.063 0.000 0.491 432 A N 1.633 124.398 122.820 -0.091 0.000 1.930 432 A HA -0.155 nan 4.320 nan 0.000 0.215 432 A C 1.312 178.816 177.584 -0.132 0.000 1.176 432 A CA 2.707 54.682 52.037 -0.103 0.000 0.632 432 A CB -0.640 18.283 19.000 -0.128 0.000 0.819 432 A HN -0.303 7.679 8.150 -0.124 0.094 0.445 433 A N -1.990 120.614 122.820 -0.361 0.000 1.902 433 A HA -0.283 nan 4.320 nan 0.000 0.217 433 A C 1.762 179.309 177.584 -0.062 0.000 1.181 433 A CA 2.875 54.640 52.037 -0.453 0.000 0.623 433 A CB -0.598 17.739 19.000 -1.104 0.000 0.818 433 A HN 0.199 8.075 8.150 -0.456 0.000 0.443 434 A N -2.046 120.771 122.820 -0.006 0.000 1.972 434 A HA -0.240 nan 4.320 nan 0.000 0.219 434 A C 1.548 179.223 177.584 0.150 0.000 1.169 434 A CA 2.627 54.743 52.037 0.132 0.000 0.635 434 A CB -0.781 18.336 19.000 0.195 0.000 0.810 434 A HN -0.160 7.933 8.150 -0.095 0.000 0.446 435 F N -0.345 119.613 119.950 0.013 0.000 2.095 435 F HA -0.399 nan 4.527 nan 0.000 0.298 435 F C 1.725 177.599 175.800 0.124 0.000 1.104 435 F CA 3.530 61.566 58.000 0.060 0.000 1.232 435 F CB 0.290 39.316 39.000 0.043 0.000 0.987 435 F HN -0.594 7.739 8.300 0.251 0.118 0.475 436 L N -1.955 119.451 121.223 0.306 0.000 2.131 436 L HA -0.478 nan 4.340 nan 0.000 0.210 436 L C 2.106 178.913 176.870 -0.106 0.000 1.092 436 L CA 2.702 57.654 54.840 0.187 0.000 0.759 436 L CB -0.732 41.430 42.059 0.172 0.000 0.903 436 L HN -0.385 7.943 8.230 0.294 0.079 0.435 437 K N -0.240 120.085 120.400 -0.125 0.000 2.209 437 K HA -0.355 nan 4.320 nan 0.000 0.204 437 K C 2.225 178.639 176.600 -0.309 0.000 1.048 437 K CA 3.185 59.285 56.287 -0.312 0.000 0.940 437 K CB -0.332 32.181 32.500 0.022 0.000 0.729 437 K HN -0.203 7.964 8.250 0.060 0.119 0.451 438 E N -1.831 118.178 120.200 -0.318 0.000 2.515 438 E HA -0.226 nan 4.350 nan 0.000 0.201 438 E C 1.534 177.586 176.600 -0.912 0.000 1.071 438 E CA 1.797 57.846 56.400 -0.585 0.000 0.880 438 E CB -0.414 28.828 29.700 -0.763 0.000 0.828 438 E HN -0.446 7.645 8.360 -0.223 0.135 0.540 439 F N -3.484 116.271 119.950 -0.325 0.000 2.781 439 F HA 0.136 nan 4.527 nan 0.000 0.322 439 F C -0.934 174.688 175.800 -0.296 0.000 1.108 439 F CA -0.142 57.687 58.000 -0.284 0.000 1.179 439 F CB 1.698 40.556 39.000 -0.236 0.000 1.072 439 F HN -0.413 7.547 8.300 -0.247 0.192 0.545 440 V N -1.035 118.721 119.914 -0.264 0.000 2.555 440 V HA 0.428 nan 4.120 nan 0.000 0.302 440 V C -1.011 175.052 176.094 -0.051 0.000 1.038 440 V CA -2.060 60.149 62.300 -0.152 0.000 0.887 440 V CB 2.328 33.805 31.823 -0.577 0.000 0.991 440 V HN -0.373 7.501 8.190 -0.344 0.109 0.434 441 T N 0.070 114.738 114.554 0.191 0.000 3.182 441 T HA 0.292 nan 4.350 nan 0.000 0.277 441 T C -0.793 174.043 174.700 0.226 0.000 1.013 441 T CA -0.138 62.037 62.100 0.126 0.000 0.900 441 T CB 0.198 69.103 68.868 0.061 0.000 1.098 441 T HN 0.074 8.603 8.240 0.481 0.000 0.543 442 H N 3.987 123.157 119.070 0.167 0.000 2.473 442 H HA 0.337 nan 4.556 nan 0.000 0.327 442 H C -1.443 173.975 175.328 0.150 0.000 1.105 442 H CA -2.813 53.301 56.048 0.111 0.000 1.280 442 H CB 1.638 31.398 29.762 -0.003 0.000 1.450 442 H HN -0.611 7.794 8.280 0.306 0.059 0.492 443 P HA -0.095 nan 4.420 nan 0.000 0.239 443 P C -0.828 176.664 177.300 0.319 0.000 1.184 443 P CA 0.563 63.761 63.100 0.163 0.000 0.760 443 P CB 0.564 32.280 31.700 0.028 0.000 0.884 444 K N -0.893 119.855 120.400 0.581 0.000 2.896 444 K HA 0.243 nan 4.320 nan 0.000 0.228 444 K C -2.730 174.157 176.600 0.479 0.000 1.151 444 K CA 0.471 57.069 56.287 0.519 0.000 1.035 444 K CB 0.760 33.567 32.500 0.511 0.000 1.263 444 K HN -0.523 8.146 8.250 0.864 0.099 0.574 445 W N 4.034 125.457 121.300 0.205 0.000 2.819 445 W HA 0.670 nan 4.660 nan 0.000 0.337 445 W C -2.995 173.599 176.519 0.125 0.000 1.077 445 W CA -1.795 55.614 57.345 0.107 0.000 1.226 445 W CB 3.999 33.532 29.460 0.121 0.000 1.419 445 W HN 0.524 9.328 8.180 0.504 -0.322 0.502 446 A N 5.809 128.324 122.820 -0.508 0.000 2.414 446 A HA 0.685 nan 4.320 nan 0.000 0.306 446 A C -3.056 174.097 177.584 -0.719 0.000 1.054 446 A CA -1.070 50.607 52.037 -0.600 0.000 0.724 446 A CB 3.559 22.377 19.000 -0.304 0.000 1.267 446 A HN 0.810 8.760 8.150 -0.335 0.000 0.418 447 H N 4.162 122.791 119.070 -0.735 0.000 2.539 447 H HA 0.793 nan 4.556 nan 0.000 0.332 447 H C -2.013 173.237 175.328 -0.130 0.000 1.031 447 H CA -2.445 53.388 56.048 -0.359 0.000 1.206 447 H CB 1.872 31.471 29.762 -0.273 0.000 1.446 447 H HN 0.762 8.719 8.280 -0.538 0.000 0.496 448 L N 6.260 127.207 121.223 -0.459 0.000 2.305 448 L HA 0.430 nan 4.340 nan 0.000 0.284 448 L C -2.019 174.560 176.870 -0.485 0.000 1.013 448 L CA -1.281 53.319 54.840 -0.399 0.000 0.819 448 L CB 1.716 43.629 42.059 -0.244 0.000 1.227 448 L HN 0.804 8.860 8.230 -0.289 0.000 0.417 449 D N 4.516 124.691 120.400 -0.374 0.000 2.412 449 D HA 0.278 nan 4.640 nan 0.000 0.224 449 D C 0.207 176.452 176.300 -0.093 0.000 1.093 449 D CA -0.641 53.241 54.000 -0.197 0.000 0.850 449 D CB 1.440 42.209 40.800 -0.053 0.000 1.046 449 D HN 0.454 8.671 8.370 -0.255 0.000 0.507 450 I N 5.251 125.772 120.570 -0.081 0.000 3.728 450 I HA -0.025 nan 4.170 nan 0.000 0.307 450 I C 1.120 177.213 176.117 -0.040 0.000 1.276 450 I CA -1.497 59.767 61.300 -0.058 0.000 1.285 450 I CB -1.389 36.572 38.000 -0.066 0.000 1.038 450 I HN 0.665 8.722 8.210 -0.087 0.101 0.445 451 A N 1.081 123.881 122.820 -0.033 0.000 1.948 451 A HA -0.239 nan 4.320 nan 0.000 0.220 451 A C 2.164 179.733 177.584 -0.025 0.000 1.177 451 A CA 3.357 55.377 52.037 -0.028 0.000 0.636 451 A CB -0.658 18.329 19.000 -0.021 0.000 0.815 451 A HN -0.556 7.654 8.150 -0.031 -0.078 0.449 452 G N -5.432 103.354 108.800 -0.023 0.000 2.623 452 G HA2 -0.016 nan 3.960 nan 0.000 0.214 452 G HA3 -0.016 nan 3.960 nan 0.000 0.214 452 G C 0.445 175.330 174.900 -0.024 0.000 1.138 452 G CA 0.666 45.751 45.100 -0.024 0.000 0.794 452 G HN 0.272 8.549 8.290 -0.022 0.000 0.535 453 V N -5.238 114.662 119.914 -0.024 0.000 3.271 453 V HA 0.432 nan 4.120 nan 0.000 0.327 453 V C -0.086 175.995 176.094 -0.022 0.000 1.389 453 V CA -1.679 60.609 62.300 -0.020 0.000 1.156 453 V CB -1.591 30.224 31.823 -0.014 0.000 1.103 453 V HN -0.560 7.465 8.190 -0.025 0.150 0.453 454 M N 0.625 120.211 119.600 -0.024 0.000 2.200 454 M HA -0.170 nan 4.480 nan 0.000 0.265 454 M C -0.212 176.076 176.300 -0.019 0.000 1.066 454 M CA 3.405 58.690 55.300 -0.024 0.000 1.127 454 M CB 0.658 33.243 32.600 -0.026 0.000 1.379 454 M HN -0.754 7.430 8.290 -0.024 0.091 0.420 455 T N -2.684 111.860 114.554 -0.017 0.000 2.940 455 T HA 0.420 nan 4.350 nan 0.000 0.288 455 T C -1.219 173.471 174.700 -0.016 0.000 1.033 455 T CA -0.876 61.217 62.100 -0.012 0.000 1.033 455 T CB 2.095 70.957 68.868 -0.009 0.000 1.079 455 T HN -0.541 7.688 8.240 -0.019 0.000 0.496 456 N N 1.789 120.481 118.700 -0.012 0.000 2.272 456 N HA 0.442 nan 4.740 nan 0.000 0.305 456 N C -0.900 174.604 175.510 -0.011 0.000 1.103 456 N CA -1.223 51.815 53.050 -0.020 0.000 0.791 456 N CB 2.569 41.040 38.487 -0.027 0.000 1.356 456 N HN 0.565 8.839 8.380 -0.003 0.105 0.486 457 K N 3.472 123.862 120.400 -0.016 0.000 2.469 457 K HA 0.122 nan 4.320 nan 0.000 0.228 457 K C -0.944 175.648 176.600 -0.014 0.000 1.266 457 K CA 2.464 58.745 56.287 -0.010 0.000 0.775 457 K CB 1.249 33.743 32.500 -0.009 0.000 1.582 457 K HN 0.521 8.951 8.250 -0.025 -0.195 0.415 458 D N -4.715 115.672 120.400 -0.021 0.000 2.453 458 D HA 0.077 nan 4.640 nan 0.000 0.256 458 D C -0.038 176.241 176.300 -0.035 0.000 1.152 458 D CA 0.664 54.650 54.000 -0.023 0.000 0.818 458 D CB -0.102 40.690 40.800 -0.013 0.000 1.259 458 D HN -0.285 8.072 8.370 -0.021 0.000 0.531 459 E N 0.078 120.255 120.200 -0.038 0.000 2.085 459 E HA -0.213 nan 4.350 nan 0.000 0.194 459 E C -0.615 175.949 176.600 -0.060 0.000 0.994 459 E CA 2.061 58.440 56.400 -0.035 0.000 0.801 459 E CB -0.142 29.539 29.700 -0.031 0.000 0.743 459 E HN 0.177 8.515 8.360 -0.036 0.000 0.453 460 V N -3.720 116.114 119.914 -0.133 0.000 2.357 460 V HA 0.473 nan 4.120 nan 0.000 0.284 460 V C -1.442 174.446 176.094 -0.343 0.000 1.018 460 V CA -3.689 58.446 62.300 -0.275 0.000 0.841 460 V CB 1.793 33.385 31.823 -0.386 0.000 0.991 460 V HN -0.587 7.525 8.190 -0.131 0.000 0.437 461 P HA -0.083 nan 4.420 nan 0.000 0.219 461 P C -0.242 177.026 177.300 -0.053 0.000 1.150 461 P CA 2.143 65.182 63.100 -0.102 0.000 0.814 461 P CB -0.104 31.590 31.700 -0.011 0.000 0.787 462 Y N -6.101 114.191 120.300 -0.014 0.000 2.553 462 Y HA 0.223 nan 4.550 nan 0.000 0.303 462 Y C -1.102 174.804 175.900 0.009 0.000 1.194 462 Y CA -1.769 56.323 58.100 -0.013 0.000 1.305 462 Y CB -0.909 37.530 38.460 -0.035 0.000 1.045 462 Y HN -0.272 7.670 8.280 -0.522 0.025 0.514 463 L N 0.332 121.548 121.223 -0.012 0.000 2.362 463 L HA 0.189 nan 4.340 nan 0.000 0.275 463 L C -0.238 176.650 176.870 0.031 0.000 0.998 463 L CA -1.524 53.333 54.840 0.027 0.000 0.820 463 L CB 2.278 44.306 42.059 -0.052 0.000 1.270 463 L HN -0.913 7.168 8.230 -0.106 0.085 0.415 464 R N 2.991 123.536 120.500 0.075 0.000 2.893 464 R HA -0.048 nan 4.340 nan 0.000 0.279 464 R C -1.055 175.272 176.300 0.045 0.000 1.076 464 R CA 0.142 56.277 56.100 0.059 0.000 1.203 464 R CB 0.857 31.204 30.300 0.079 0.000 1.137 464 R HN 0.117 8.459 8.270 0.119 0.000 0.541 465 K N 0.471 120.892 120.400 0.035 0.000 2.339 465 K HA -0.142 nan 4.320 nan 0.000 0.286 465 K C -0.505 176.121 176.600 0.045 0.000 1.050 465 K CA 0.479 56.782 56.287 0.027 0.000 0.956 465 K CB 0.071 32.583 32.500 0.021 0.000 0.990 465 K HN 0.120 8.390 8.250 0.035 0.000 0.475 466 G N 4.221 113.044 108.800 0.039 0.000 2.345 466 G HA2 -0.058 nan 3.960 nan 0.000 0.285 466 G HA3 -0.058 nan 3.960 nan 0.000 0.285 466 G C -2.810 172.107 174.900 0.028 0.000 1.297 466 G CA 0.110 45.238 45.100 0.046 0.000 0.875 466 G HN 0.028 8.332 8.290 0.024 0.000 0.506 467 M N 1.474 121.085 119.600 0.018 0.000 2.252 467 M HA -0.107 nan 4.480 nan 0.000 0.348 467 M C -0.285 176.014 176.300 -0.001 0.000 1.334 467 M CA -0.392 54.905 55.300 -0.004 0.000 1.071 467 M CB 0.373 32.956 32.600 -0.029 0.000 1.763 467 M HN -0.143 8.479 8.290 0.022 -0.318 0.452 468 A N 3.624 126.436 122.820 -0.013 0.000 2.220 468 A HA 0.218 nan 4.320 nan 0.000 0.211 468 A C 0.245 177.809 177.584 -0.032 0.000 1.176 468 A CA -0.190 51.837 52.037 -0.018 0.000 0.834 468 A CB 0.507 19.495 19.000 -0.020 0.000 0.868 468 A HN 0.550 8.583 8.150 -0.015 0.108 0.488 469 G N -1.195 107.582 108.800 -0.039 0.000 2.160 469 G HA2 -0.420 nan 3.960 nan 0.000 0.251 469 G HA3 -0.420 nan 3.960 nan 0.000 0.251 469 G C -0.657 174.227 174.900 -0.026 0.000 1.008 469 G CA 0.403 45.476 45.100 -0.045 0.000 0.724 469 G HN -0.411 7.859 8.290 -0.033 0.000 0.514 470 R N -1.049 119.440 120.500 -0.018 0.000 2.428 470 R HA 0.341 nan 4.340 nan 0.000 0.294 470 R C -1.901 174.387 176.300 -0.020 0.000 1.000 470 R CA -3.066 53.030 56.100 -0.006 0.000 0.960 470 R CB 0.501 30.801 30.300 0.000 0.000 1.076 470 R HN -0.461 7.797 8.270 -0.021 0.000 0.475 471 P HA 0.362 nan 4.420 nan 0.000 0.228 471 P C -0.184 177.114 177.300 -0.003 0.000 1.873 471 P CA -0.863 62.234 63.100 -0.005 0.000 1.033 471 P CB -0.396 31.296 31.700 -0.013 0.000 1.707 472 T N 3.597 118.147 114.554 -0.007 0.000 2.685 472 T HA -0.420 nan 4.350 nan 0.000 0.268 472 T C 1.524 176.218 174.700 -0.011 0.000 1.034 472 T CA 5.399 67.493 62.100 -0.011 0.000 1.149 472 T CB -0.615 68.238 68.868 -0.025 0.000 0.860 472 T HN -0.272 7.961 8.240 -0.012 0.000 0.449 473 R N -0.857 119.655 120.500 0.019 0.000 2.235 473 R HA -0.127 nan 4.340 nan 0.000 0.213 473 R C 2.120 178.468 176.300 0.080 0.000 1.059 473 R CA 3.154 59.282 56.100 0.048 0.000 0.997 473 R CB -0.533 29.869 30.300 0.171 0.000 0.884 473 R HN 0.312 8.603 8.270 0.036 0.000 0.462 474 T N 4.011 118.608 114.554 0.071 0.000 2.904 474 T HA -0.127 nan 4.350 nan 0.000 0.267 474 T C 2.002 176.778 174.700 0.127 0.000 1.059 474 T CA 4.886 67.036 62.100 0.084 0.000 1.137 474 T CB -0.558 68.335 68.868 0.041 0.000 0.879 474 T HN -0.016 8.162 8.240 0.055 0.095 0.467 475 L N 1.387 122.670 121.223 0.099 0.000 2.044 475 L HA -0.176 nan 4.340 nan 0.000 0.205 475 L C 1.582 178.603 176.870 0.252 0.000 1.075 475 L CA 2.528 57.493 54.840 0.208 0.000 0.747 475 L CB -1.080 41.060 42.059 0.135 0.000 0.903 475 L HN -0.588 7.648 8.230 0.050 0.024 0.435 476 I N -0.846 119.740 120.570 0.027 0.000 2.127 476 I HA -0.646 nan 4.170 nan 0.000 0.241 476 I C 1.856 177.933 176.117 -0.068 0.000 1.075 476 I CA 4.837 66.032 61.300 -0.175 0.000 1.334 476 I CB -0.440 37.163 38.000 -0.662 0.000 1.040 476 I HN -0.150 8.047 8.210 -0.021 0.000 0.405 477 E N 0.099 120.323 120.200 0.040 0.000 2.070 477 E HA -0.387 nan 4.350 nan 0.000 0.197 477 E C 1.850 178.603 176.600 0.254 0.000 1.004 477 E CA 2.861 59.423 56.400 0.271 0.000 0.805 477 E CB -0.560 29.311 29.700 0.285 0.000 0.744 477 E HN -0.306 8.048 8.360 -0.010 0.000 0.451 478 F N 0.100 120.126 119.950 0.128 0.000 2.095 478 F HA -0.342 nan 4.527 nan 0.000 0.298 478 F C 1.558 177.465 175.800 0.178 0.000 1.104 478 F CA 3.300 61.374 58.000 0.123 0.000 1.232 478 F CB 0.010 39.056 39.000 0.077 0.000 0.987 478 F HN -0.195 8.199 8.300 0.339 0.109 0.475 479 L N -1.563 119.568 121.223 -0.154 0.000 2.017 479 L HA -0.523 nan 4.340 nan 0.000 0.208 479 L C 1.799 178.624 176.870 -0.076 0.000 1.073 479 L CA 3.183 57.919 54.840 -0.174 0.000 0.745 479 L CB -0.421 41.612 42.059 -0.043 0.000 0.894 479 L HN -0.064 8.259 8.230 0.156 0.000 0.432 480 F N -0.002 119.910 119.950 -0.063 0.000 2.043 480 F HA -0.588 nan 4.527 nan 0.000 0.297 480 F C 1.782 177.579 175.800 -0.004 0.000 1.118 480 F CA 3.845 61.846 58.000 0.001 0.000 1.202 480 F CB -0.040 39.010 39.000 0.083 0.000 0.965 480 F HN 0.297 8.702 8.300 0.174 0.000 0.482 481 R N -2.603 117.808 120.500 -0.147 0.000 2.081 481 R HA -0.425 nan 4.340 nan 0.000 0.235 481 R C 3.022 179.187 176.300 -0.226 0.000 1.131 481 R CA 3.092 59.069 56.100 -0.204 0.000 0.960 481 R CB -0.190 30.089 30.300 -0.035 0.000 0.856 481 R HN -0.173 8.184 8.270 0.144 0.000 0.436 482 F N 2.054 121.794 119.950 -0.350 0.000 2.134 482 F HA -0.276 nan 4.527 nan 0.000 0.299 482 F C 1.110 176.792 175.800 -0.196 0.000 1.097 482 F CA 2.826 60.661 58.000 -0.276 0.000 1.264 482 F CB 0.415 39.169 39.000 -0.410 0.000 1.001 482 F HN -0.037 8.156 8.300 -0.179 0.000 0.479 483 S N -3.571 112.135 115.700 0.011 0.000 2.561 483 S HA -0.132 nan 4.470 nan 0.000 0.225 483 S C 0.354 174.872 174.600 -0.137 0.000 0.977 483 S CA 0.340 58.532 58.200 -0.012 0.000 0.926 483 S CB 0.329 63.510 63.200 -0.033 0.000 0.769 483 S HN -0.103 8.074 8.310 -0.076 0.088 0.533 484 Q N 0.000 119.652 119.800 -0.247 0.000 2.315 484 Q HA 0.000 nan 4.340 nan 0.000 0.214 484 Q CA 0.000 55.669 55.803 -0.223 0.000 1.022 484 Q CB 0.000 28.581 28.738 -0.261 0.000 1.108 484 Q HN 0.000 7.920 8.270 -0.298 0.171 0.481