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 1fpg_1_A DATA FIRST_RESID 9 DATA SEQUENCE NIVTLTRFVM EQGRKARGTG EMTQLLNSLC TAVKAISTAV RKAGIAHLYG DATA SEQUENCE IAGXXXXXXX XXXKLDVLSN DLVINVLKSS FATCVLVTEE DKNAIIVEPE DATA SEQUENCE KRGKYVVCFD PLDGSSNIDC LVSIGTIFGI YRKNSTDEPS EKDALQPGRN DATA SEQUENCE LVAAGYALYG SATMLVLAMV NGVNCFMLDP AIGEFILVDR NVKIKKKGSI DATA SEQUENCE YSINEGYAKE FDPAITEYIQ RKKFPPDNSA PYGARYVGSM VADVHRTLVY DATA SEQUENCE GGIFMYPANK KSPKGKLRLL YECNPMAYVM EKAGGLATTG KEAVLDIVPT DATA SEQUENCE DIHQRAPIIL GSPEDVTELL EIYQKHA 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 9 N HA 0.000 nan 4.740 nan 0.000 0.220 9 N C 0.000 175.534 175.510 0.041 0.000 1.280 9 N CA 0.000 53.070 53.050 0.033 0.000 0.885 9 N CB 0.000 38.504 38.487 0.028 0.000 1.341 10 I N 1.886 122.485 120.570 0.048 0.000 2.493 10 I HA 0.325 nan 4.170 nan 0.000 0.298 10 I C -2.108 174.060 176.117 0.084 0.000 0.998 10 I CA -0.651 60.683 61.300 0.058 0.000 1.137 10 I CB 1.629 39.659 38.000 0.050 0.000 1.310 10 I HN -0.430 7.808 8.210 0.047 0.000 0.445 11 V N 4.987 124.968 119.914 0.111 0.000 2.384 11 V HA 0.297 nan 4.120 nan 0.000 0.287 11 V C -0.910 175.308 176.094 0.206 0.000 1.020 11 V CA -1.302 61.098 62.300 0.167 0.000 0.850 11 V CB 1.177 33.127 31.823 0.213 0.000 0.987 11 V HN 0.284 8.533 8.190 0.098 0.000 0.436 12 T N 3.052 117.717 114.554 0.185 0.000 2.934 12 T HA 0.582 nan 4.350 nan 0.000 0.283 12 T C 0.494 175.275 174.700 0.135 0.000 1.005 12 T CA -1.376 60.825 62.100 0.170 0.000 1.041 12 T CB 2.473 71.403 68.868 0.105 0.000 1.042 12 T HN 0.027 8.362 8.240 0.158 0.000 0.505 13 L N 1.850 123.062 121.223 -0.017 0.000 2.013 13 L HA -0.344 nan 4.340 nan 0.000 0.212 13 L C 1.120 177.929 176.870 -0.101 0.000 1.073 13 L CA 4.073 58.690 54.840 -0.372 0.000 0.753 13 L CB -0.163 41.587 42.059 -0.514 0.000 0.890 13 L HN 0.379 8.657 8.230 0.081 0.000 0.432 14 T N -0.159 114.380 114.554 -0.025 0.000 2.759 14 T HA -0.434 nan 4.350 nan 0.000 0.269 14 T C 2.332 177.052 174.700 0.033 0.000 1.042 14 T CA 4.474 66.573 62.100 -0.001 0.000 1.140 14 T CB -0.730 68.143 68.868 0.009 0.000 0.864 14 T HN 0.083 8.322 8.240 -0.001 0.000 0.455 15 R N 1.751 122.295 120.500 0.074 0.000 2.062 15 R HA -0.284 nan 4.340 nan 0.000 0.231 15 R C 1.513 177.881 176.300 0.112 0.000 1.136 15 R CA 3.121 59.272 56.100 0.084 0.000 0.948 15 R CB -0.094 30.269 30.300 0.104 0.000 0.845 15 R HN -0.596 7.637 8.270 0.083 0.087 0.430 16 F N 0.329 120.293 119.950 0.023 0.000 2.065 16 F HA -0.461 nan 4.527 nan 0.000 0.298 16 F C 1.854 177.654 175.800 0.001 0.000 1.112 16 F CA 4.049 62.079 58.000 0.050 0.000 1.212 16 F CB 0.077 39.160 39.000 0.138 0.000 0.975 16 F HN -0.169 8.319 8.300 0.313 0.000 0.476 17 V N -1.288 118.706 119.914 0.133 0.000 2.392 17 V HA -0.522 nan 4.120 nan 0.000 0.249 17 V C 2.089 178.135 176.094 -0.080 0.000 1.059 17 V CA 4.576 66.875 62.300 -0.001 0.000 1.051 17 V CB -0.889 30.930 31.823 -0.007 0.000 0.658 17 V HN 0.293 8.609 8.190 0.210 0.000 0.455 18 M N -0.299 119.269 119.600 -0.053 0.000 2.099 18 M HA -0.343 nan 4.480 nan 0.000 0.262 18 M C 1.712 177.965 176.300 -0.077 0.000 1.067 18 M CA 2.533 57.802 55.300 -0.052 0.000 1.124 18 M CB -0.539 32.046 32.600 -0.026 0.000 1.353 18 M HN -0.721 7.542 8.290 -0.019 0.015 0.410 19 E N -0.549 119.592 120.200 -0.098 0.000 2.058 19 E HA -0.471 nan 4.350 nan 0.000 0.194 19 E C 2.524 179.028 176.600 -0.160 0.000 0.997 19 E CA 3.388 59.718 56.400 -0.116 0.000 0.801 19 E CB -0.335 29.292 29.700 -0.122 0.000 0.746 19 E HN -0.128 8.184 8.360 -0.081 0.000 0.450 20 Q N -2.167 117.477 119.800 -0.261 0.000 2.124 20 Q HA -0.231 nan 4.340 nan 0.000 0.202 20 Q C 3.021 178.944 176.000 -0.127 0.000 0.977 20 Q CA 2.613 58.270 55.803 -0.244 0.000 0.850 20 Q CB -0.539 27.990 28.738 -0.349 0.000 0.901 20 Q HN -0.061 8.009 8.270 -0.334 0.000 0.429 21 G N -1.235 107.504 108.800 -0.102 0.000 2.408 21 G HA2 -0.326 nan 3.960 nan 0.000 0.217 21 G HA3 -0.326 nan 3.960 nan 0.000 0.217 21 G C 1.142 176.017 174.900 -0.042 0.000 1.150 21 G CA 1.518 46.584 45.100 -0.057 0.000 0.776 21 G HN 0.016 8.134 8.290 -0.115 0.102 0.542 22 R N 1.502 121.972 120.500 -0.051 0.000 2.066 22 R HA -0.259 nan 4.340 nan 0.000 0.232 22 R C 3.128 179.408 176.300 -0.034 0.000 1.131 22 R CA 3.547 59.625 56.100 -0.037 0.000 0.955 22 R CB -0.082 30.195 30.300 -0.037 0.000 0.851 22 R HN -0.067 8.067 8.270 -0.066 0.096 0.432 23 K N -0.041 120.330 120.400 -0.048 0.000 2.097 23 K HA -0.262 nan 4.320 nan 0.000 0.206 23 K C 1.464 178.049 176.600 -0.025 0.000 1.049 23 K CA 2.617 58.881 56.287 -0.039 0.000 0.933 23 K CB -0.142 32.325 32.500 -0.054 0.000 0.717 23 K HN 0.171 8.380 8.250 -0.068 0.000 0.442 24 A N -3.400 119.405 122.820 -0.025 0.000 2.337 24 A HA 0.054 nan 4.320 nan 0.000 0.227 24 A C -0.901 176.684 177.584 0.002 0.000 1.259 24 A CA -0.593 51.439 52.037 -0.007 0.000 0.870 24 A CB 0.127 19.125 19.000 -0.003 0.000 0.927 24 A HN -0.558 7.553 8.150 -0.037 0.016 0.497 25 R N -3.300 117.198 120.500 -0.004 0.000 3.301 25 R HA -0.364 nan 4.340 nan 0.000 0.249 25 R C 0.261 176.567 176.300 0.010 0.000 0.964 25 R CA 0.124 56.225 56.100 0.002 0.000 0.653 25 R CB -2.319 27.983 30.300 0.003 0.000 1.043 25 R HN -0.346 7.725 8.270 -0.011 0.192 0.454 26 G N -1.405 107.402 108.800 0.011 0.000 2.572 26 G HA2 -0.002 nan 3.960 nan 0.000 0.261 26 G HA3 -0.002 nan 3.960 nan 0.000 0.261 26 G C 0.583 175.497 174.900 0.024 0.000 1.197 26 G CA -0.276 44.840 45.100 0.027 0.000 0.870 26 G HN -0.409 7.882 8.290 0.002 -0.000 0.548 27 T N -3.729 110.847 114.554 0.037 0.000 3.118 27 T HA -0.010 nan 4.350 nan 0.000 0.260 27 T C 1.313 176.029 174.700 0.027 0.000 1.139 27 T CA 0.237 62.354 62.100 0.029 0.000 1.085 27 T CB -0.334 68.555 68.868 0.034 0.000 0.934 27 T HN 0.357 8.629 8.240 0.054 0.000 0.518 28 G N 1.536 110.355 108.800 0.031 0.000 2.159 28 G HA2 -0.297 nan 3.960 nan 0.000 0.227 28 G HA3 -0.297 nan 3.960 nan 0.000 0.227 28 G C 0.316 175.238 174.900 0.036 0.000 0.986 28 G CA -0.055 45.057 45.100 0.019 0.000 0.651 28 G HN -0.211 8.045 8.290 0.039 0.058 0.523 29 E N 0.443 120.691 120.200 0.079 0.000 2.112 29 E HA -0.215 nan 4.350 nan 0.000 0.190 29 E C 0.906 177.569 176.600 0.105 0.000 0.979 29 E CA 2.137 58.614 56.400 0.127 0.000 0.814 29 E CB -0.027 29.788 29.700 0.191 0.000 0.762 29 E HN -0.307 8.067 8.360 0.092 0.041 0.460 30 M N -1.256 118.380 119.600 0.060 0.000 2.254 30 M HA -0.119 nan 4.480 nan 0.000 0.265 30 M C 1.150 177.361 176.300 -0.150 0.000 1.066 30 M CA 3.599 58.788 55.300 -0.186 0.000 1.123 30 M CB -0.359 32.106 32.600 -0.224 0.000 1.388 30 M HN 0.109 8.467 8.290 0.113 0.000 0.425 31 T N 1.493 116.004 114.554 -0.072 0.000 2.777 31 T HA -0.267 nan 4.350 nan 0.000 0.266 31 T C 2.071 176.730 174.700 -0.068 0.000 1.040 31 T CA 4.467 66.525 62.100 -0.070 0.000 1.141 31 T CB -0.784 68.058 68.868 -0.044 0.000 0.868 31 T HN -0.123 8.097 8.240 -0.033 0.000 0.444 32 Q N 1.330 121.106 119.800 -0.039 0.000 2.124 32 Q HA -0.241 nan 4.340 nan 0.000 0.202 32 Q C 1.888 177.854 176.000 -0.056 0.000 0.977 32 Q CA 2.786 58.574 55.803 -0.024 0.000 0.850 32 Q CB -0.524 28.226 28.738 0.021 0.000 0.901 32 Q HN -0.491 7.768 8.270 -0.019 0.000 0.429 33 L N 0.032 121.201 121.223 -0.090 0.000 2.027 33 L HA -0.246 nan 4.340 nan 0.000 0.206 33 L C 1.646 178.392 176.870 -0.206 0.000 1.074 33 L CA 3.061 57.813 54.840 -0.148 0.000 0.745 33 L CB -0.374 41.554 42.059 -0.218 0.000 0.898 33 L HN -0.594 7.487 8.230 -0.084 0.098 0.433 34 L N -2.451 118.644 121.223 -0.214 0.000 2.131 34 L HA -0.535 nan 4.340 nan 0.000 0.210 34 L C 2.188 178.933 176.870 -0.209 0.000 1.092 34 L CA 3.396 58.093 54.840 -0.239 0.000 0.759 34 L CB -0.898 41.047 42.059 -0.190 0.000 0.903 34 L HN 0.057 8.169 8.230 -0.197 0.000 0.435 35 N N -0.268 118.345 118.700 -0.145 0.000 2.216 35 N HA -0.300 nan 4.740 nan 0.000 0.183 35 N C 2.502 177.949 175.510 -0.106 0.000 1.017 35 N CA 3.389 56.375 53.050 -0.107 0.000 0.861 35 N CB -0.011 38.436 38.487 -0.067 0.000 0.986 35 N HN -0.043 8.154 8.380 -0.127 0.106 0.428 36 S N 1.836 117.466 115.700 -0.117 0.000 2.402 36 S HA -0.302 nan 4.470 nan 0.000 0.229 36 S C 1.746 176.245 174.600 -0.168 0.000 1.021 36 S CA 3.598 61.728 58.200 -0.116 0.000 0.974 36 S CB 0.021 63.155 63.200 -0.110 0.000 0.800 36 S HN -0.289 7.874 8.310 -0.116 0.078 0.484 37 L N 1.578 122.651 121.223 -0.249 0.000 2.027 37 L HA -0.321 nan 4.340 nan 0.000 0.206 37 L C 1.321 178.047 176.870 -0.240 0.000 1.074 37 L CA 3.226 57.860 54.840 -0.343 0.000 0.745 37 L CB -0.106 41.595 42.059 -0.596 0.000 0.898 37 L HN -0.195 7.798 8.230 -0.257 0.083 0.433 38 C N -0.813 118.364 119.300 -0.205 0.000 2.413 38 C HA -0.500 nan 4.460 nan 0.000 0.276 38 C C 2.038 177.068 174.990 0.068 0.000 1.248 38 C CA 4.305 63.269 59.018 -0.090 0.000 1.742 38 C CB -1.690 26.002 27.740 -0.080 0.000 2.017 38 C HN -0.119 7.973 8.230 -0.230 0.000 0.481 39 T N 1.555 116.110 114.554 0.000 0.000 2.777 39 T HA -0.337 nan 4.350 nan 0.000 0.266 39 T C 1.845 176.546 174.700 0.001 0.000 1.040 39 T CA 5.133 67.238 62.100 0.010 0.000 1.141 39 T CB -0.421 68.434 68.868 -0.021 0.000 0.868 39 T HN -0.412 7.799 8.240 -0.049 0.000 0.444 40 A N 1.044 123.839 122.820 -0.040 0.000 1.898 40 A HA -0.162 nan 4.320 nan 0.000 0.216 40 A C 1.716 179.310 177.584 0.017 0.000 1.181 40 A CA 3.207 55.217 52.037 -0.045 0.000 0.620 40 A CB -0.796 18.136 19.000 -0.113 0.000 0.819 40 A HN -0.330 7.693 8.150 -0.078 0.081 0.442 41 V N -0.791 119.165 119.914 0.070 0.000 2.407 41 V HA -0.494 nan 4.120 nan 0.000 0.248 41 V C 2.278 178.513 176.094 0.236 0.000 1.055 41 V CA 4.714 67.140 62.300 0.211 0.000 1.049 41 V CB -1.093 30.877 31.823 0.244 0.000 0.662 41 V HN 0.095 8.298 8.190 0.021 0.000 0.455 42 K N -1.070 119.444 120.400 0.189 0.000 2.097 42 K HA -0.321 nan 4.320 nan 0.000 0.205 42 K C 1.845 178.447 176.600 0.002 0.000 1.050 42 K CA 3.559 59.895 56.287 0.081 0.000 0.938 42 K CB -0.295 32.226 32.500 0.034 0.000 0.718 42 K HN -0.277 8.077 8.250 0.189 0.010 0.442 43 A N -0.209 122.609 122.820 -0.002 0.000 1.897 43 A HA -0.169 nan 4.320 nan 0.000 0.215 43 A C 2.292 179.833 177.584 -0.072 0.000 1.181 43 A CA 2.979 54.995 52.037 -0.036 0.000 0.620 43 A CB -0.733 18.249 19.000 -0.031 0.000 0.821 43 A HN -0.544 7.521 8.150 0.020 0.097 0.443 44 I N -1.875 118.646 120.570 -0.082 0.000 2.179 44 I HA -0.591 nan 4.170 nan 0.000 0.242 44 I C 1.758 177.648 176.117 -0.379 0.000 1.088 44 I CA 4.000 65.191 61.300 -0.183 0.000 1.357 44 I CB -0.245 37.676 38.000 -0.130 0.000 1.051 44 I HN 0.277 8.469 8.210 -0.030 0.000 0.409 45 S N -1.225 114.231 115.700 -0.407 0.000 2.380 45 S HA -0.426 nan 4.470 nan 0.000 0.229 45 S C 2.006 176.469 174.600 -0.228 0.000 1.043 45 S CA 4.105 62.051 58.200 -0.424 0.000 1.038 45 S CB -0.323 62.846 63.200 -0.052 0.000 0.872 45 S HN -0.014 8.177 8.310 -0.198 0.000 0.456 46 T N 2.838 117.307 114.554 -0.141 0.000 2.821 46 T HA -0.226 nan 4.350 nan 0.000 0.267 46 T C 1.322 175.970 174.700 -0.088 0.000 1.046 46 T CA 4.661 66.706 62.100 -0.091 0.000 1.139 46 T CB -0.563 68.265 68.868 -0.066 0.000 0.871 46 T HN -0.540 7.621 8.240 -0.124 0.005 0.454 47 A N 0.512 123.268 122.820 -0.107 0.000 2.066 47 A HA 0.047 nan 4.320 nan 0.000 0.218 47 A C 1.319 178.849 177.584 -0.089 0.000 1.157 47 A CA 2.506 54.495 52.037 -0.081 0.000 0.670 47 A CB -0.633 18.322 19.000 -0.075 0.000 0.804 47 A HN -0.462 7.524 8.150 -0.130 0.086 0.453 48 V N -2.298 117.524 119.914 -0.153 0.000 2.407 48 V HA -0.267 nan 4.120 nan 0.000 0.245 48 V C 2.184 178.241 176.094 -0.063 0.000 1.041 48 V CA 2.561 64.782 62.300 -0.132 0.000 1.040 48 V CB -0.355 31.308 31.823 -0.266 0.000 0.671 48 V HN -0.216 7.702 8.190 -0.217 0.142 0.455 49 R N -2.558 117.905 120.500 -0.062 0.000 2.323 49 R HA -0.082 nan 4.340 nan 0.000 0.198 49 R C -0.166 176.124 176.300 -0.016 0.000 0.988 49 R CA -0.049 56.036 56.100 -0.026 0.000 1.041 49 R CB 0.046 30.334 30.300 -0.022 0.000 0.926 49 R HN -0.429 7.784 8.270 -0.095 0.000 0.476 50 K N -6.381 114.010 120.400 -0.016 0.000 3.192 50 K HA -0.245 nan 4.320 nan 0.000 0.278 50 K C -0.975 175.632 176.600 0.012 0.000 1.164 50 K CA 0.008 56.298 56.287 0.005 0.000 0.816 50 K CB -3.115 29.394 32.500 0.015 0.000 1.256 50 K HN -0.275 7.755 8.250 -0.031 0.202 0.497 51 A N -1.199 121.621 122.820 0.000 0.000 2.524 51 A HA 0.006 nan 4.320 nan 0.000 0.250 51 A C 0.820 178.424 177.584 0.033 0.000 1.078 51 A CA 1.773 53.816 52.037 0.010 0.000 0.761 51 A CB -0.693 18.303 19.000 -0.005 0.000 1.012 51 A HN -0.422 7.719 8.150 -0.014 0.000 0.500 52 G N 2.930 111.768 108.800 0.064 0.000 2.176 52 G HA2 -0.376 nan 3.960 nan 0.000 0.232 52 G HA3 -0.376 nan 3.960 nan 0.000 0.232 52 G C 1.120 176.112 174.900 0.153 0.000 0.986 52 G CA -0.201 44.972 45.100 0.122 0.000 0.643 52 G HN 0.348 8.671 8.290 0.055 0.000 0.522 53 I N 2.239 122.879 120.570 0.117 0.000 2.423 53 I HA -0.417 nan 4.170 nan 0.000 0.254 53 I C 0.033 176.287 176.117 0.228 0.000 1.151 53 I CA 2.014 63.416 61.300 0.170 0.000 1.421 53 I CB -0.375 37.711 38.000 0.143 0.000 1.079 53 I HN -0.374 7.826 8.210 0.082 0.058 0.431 54 A N -0.801 122.095 122.820 0.125 0.000 1.978 54 A HA -0.413 nan 4.320 nan 0.000 0.220 54 A C 2.044 179.646 177.584 0.030 0.000 1.170 54 A CA 3.099 55.172 52.037 0.060 0.000 0.636 54 A CB -1.142 17.837 19.000 -0.036 0.000 0.810 54 A HN 0.306 8.462 8.150 0.100 0.054 0.448 55 H N -2.040 117.079 119.070 0.082 0.000 2.395 55 H HA -0.179 nan 4.556 nan 0.000 0.299 55 H C 2.814 178.164 175.328 0.035 0.000 1.070 55 H CA 4.114 60.191 56.048 0.048 0.000 1.356 55 H CB 0.014 29.790 29.762 0.024 0.000 1.401 55 H HN -0.219 8.051 8.280 0.213 0.138 0.524 56 L N -0.472 120.838 121.223 0.146 0.000 2.141 56 L HA -0.330 nan 4.340 nan 0.000 0.209 56 L C 0.938 177.705 176.870 -0.171 0.000 1.094 56 L CA 2.441 57.272 54.840 -0.015 0.000 0.763 56 L CB 0.252 42.291 42.059 -0.032 0.000 0.908 56 L HN -0.415 7.824 8.230 0.198 0.110 0.437 57 Y N -2.703 117.598 120.300 0.003 0.000 2.537 57 Y HA -0.003 nan 4.550 nan 0.000 0.303 57 Y C 0.278 176.162 175.900 -0.027 0.000 1.176 57 Y CA -0.186 57.907 58.100 -0.013 0.000 1.273 57 Y CB -0.881 37.569 38.460 -0.017 0.000 1.110 57 Y HN -0.477 7.850 8.280 0.290 0.126 0.518 58 G N -0.809 108.011 108.800 0.034 0.000 2.160 58 G HA2 -0.491 nan 3.960 nan 0.000 0.251 58 G HA3 -0.491 nan 3.960 nan 0.000 0.251 58 G C 0.925 175.812 174.900 -0.022 0.000 1.008 58 G CA 0.356 45.460 45.100 0.007 0.000 0.724 58 G HN -0.309 7.900 8.290 0.013 0.089 0.514 59 I N -0.974 119.550 120.570 -0.077 0.000 2.953 59 I HA -0.288 nan 4.170 nan 0.000 0.271 59 I C -0.758 175.284 176.117 -0.125 0.000 1.286 59 I CA 2.243 63.465 61.300 -0.129 0.000 1.449 59 I CB -0.140 37.719 38.000 -0.235 0.000 1.086 59 I HN -0.362 7.807 8.210 -0.068 0.000 0.483 60 A N -2.620 120.146 122.820 -0.090 0.000 2.524 60 A HA 0.144 nan 4.320 nan 0.000 0.267 60 A C -0.508 177.083 177.584 0.011 0.000 0.881 60 A CA -0.478 51.544 52.037 -0.025 0.000 1.077 60 A CB 0.323 19.332 19.000 0.015 0.000 1.220 60 A HN -0.236 7.795 8.150 -0.072 0.076 0.488 73 L N 2.088 123.316 121.223 0.009 0.000 2.064 73 L HA -0.339 nan 4.340 nan 0.000 0.216 73 L C 0.689 177.568 176.870 0.015 0.000 1.077 73 L CA 2.742 57.586 54.840 0.007 0.000 0.766 73 L CB -0.932 41.132 42.059 0.008 0.000 0.890 73 L HN 0.050 8.287 8.230 0.011 0.000 0.435 74 D N -3.588 116.826 120.400 0.023 0.000 2.117 74 D HA -0.278 nan 4.640 nan 0.000 0.197 74 D C 2.567 178.885 176.300 0.031 0.000 0.987 74 D CA 3.203 57.222 54.000 0.032 0.000 0.829 74 D CB -1.154 39.662 40.800 0.026 0.000 0.961 74 D HN 0.426 8.804 8.370 0.021 0.005 0.460 75 V N 0.773 120.699 119.914 0.020 0.000 2.453 75 V HA -0.206 nan 4.120 nan 0.000 0.247 75 V C 2.281 178.387 176.094 0.019 0.000 1.048 75 V CA 3.219 65.530 62.300 0.018 0.000 1.049 75 V CB -0.660 31.169 31.823 0.009 0.000 0.672 75 V HN -0.178 7.927 8.190 0.016 0.094 0.457 76 L N -0.566 120.664 121.223 0.012 0.000 2.056 76 L HA -0.302 nan 4.340 nan 0.000 0.207 76 L C 1.646 178.521 176.870 0.009 0.000 1.078 76 L CA 3.252 58.094 54.840 0.004 0.000 0.749 76 L CB -0.551 41.504 42.059 -0.007 0.000 0.901 76 L HN 0.242 8.478 8.230 0.009 0.000 0.433 77 S N -0.099 115.613 115.700 0.020 0.000 2.368 77 S HA -0.414 nan 4.470 nan 0.000 0.225 77 S C 2.002 176.641 174.600 0.066 0.000 1.030 77 S CA 4.689 62.910 58.200 0.037 0.000 0.999 77 S CB -0.664 62.573 63.200 0.062 0.000 0.844 77 S HN 0.152 8.475 8.310 0.021 0.000 0.459 78 N N 0.890 119.644 118.700 0.090 0.000 2.084 78 N HA -0.259 nan 4.740 nan 0.000 0.190 78 N C 1.715 177.284 175.510 0.098 0.000 1.030 78 N CA 3.127 56.266 53.050 0.149 0.000 0.849 78 N CB -0.108 38.448 38.487 0.115 0.000 1.012 78 N HN -0.642 7.781 8.380 0.070 0.000 0.423 79 D N 0.495 120.924 120.400 0.048 0.000 2.123 79 D HA -0.284 nan 4.640 nan 0.000 0.196 79 D C 2.634 178.929 176.300 -0.008 0.000 0.992 79 D CA 3.401 57.413 54.000 0.021 0.000 0.833 79 D CB -0.270 40.536 40.800 0.009 0.000 0.954 79 D HN -0.452 7.943 8.370 0.042 0.000 0.455 80 L N -0.429 120.783 121.223 -0.017 0.000 1.989 80 L HA -0.408 nan 4.340 nan 0.000 0.211 80 L C 2.175 178.993 176.870 -0.087 0.000 1.071 80 L CA 3.417 58.230 54.840 -0.044 0.000 0.749 80 L CB -0.096 41.940 42.059 -0.038 0.000 0.890 80 L HN -0.006 8.221 8.230 -0.005 0.000 0.431 81 V N -0.441 119.399 119.914 -0.123 0.000 2.287 81 V HA -0.502 nan 4.120 nan 0.000 0.248 81 V C 2.109 178.031 176.094 -0.286 0.000 1.053 81 V CA 4.504 66.627 62.300 -0.295 0.000 1.027 81 V CB -0.738 30.743 31.823 -0.570 0.000 0.646 81 V HN -0.258 7.889 8.190 -0.070 0.000 0.447 82 I N -1.109 119.377 120.570 -0.141 0.000 2.208 82 I HA -0.667 nan 4.170 nan 0.000 0.245 82 I C 1.941 178.018 176.117 -0.067 0.000 1.097 82 I CA 4.463 65.734 61.300 -0.047 0.000 1.363 82 I CB -0.560 37.480 38.000 0.068 0.000 1.051 82 I HN 0.213 8.385 8.210 -0.064 0.000 0.413 83 N N -0.310 118.352 118.700 -0.064 0.000 2.250 83 N HA -0.160 nan 4.740 nan 0.000 0.181 83 N C 2.438 177.899 175.510 -0.081 0.000 1.017 83 N CA 3.580 56.592 53.050 -0.064 0.000 0.866 83 N CB 0.197 38.657 38.487 -0.044 0.000 0.985 83 N HN -0.344 8.001 8.380 -0.057 0.000 0.429 84 V N 1.456 121.313 119.914 -0.094 0.000 2.358 84 V HA -0.301 nan 4.120 nan 0.000 0.246 84 V C 1.365 177.390 176.094 -0.116 0.000 1.047 84 V CA 4.018 66.261 62.300 -0.095 0.000 1.035 84 V CB -0.801 30.959 31.823 -0.105 0.000 0.658 84 V HN -0.183 7.947 8.190 -0.100 0.000 0.452 85 L N -3.083 118.047 121.223 -0.154 0.000 2.017 85 L HA -0.419 nan 4.340 nan 0.000 0.208 85 L C 2.249 179.045 176.870 -0.123 0.000 1.073 85 L CA 2.846 57.595 54.840 -0.152 0.000 0.745 85 L CB -0.319 41.628 42.059 -0.188 0.000 0.894 85 L HN 0.000 8.123 8.230 -0.178 0.000 0.432 86 K N -0.904 119.418 120.400 -0.131 0.000 2.063 86 K HA -0.366 nan 4.320 nan 0.000 0.208 86 K C 2.897 179.314 176.600 -0.305 0.000 1.048 86 K CA 3.492 59.666 56.287 -0.188 0.000 0.928 86 K CB -0.333 32.071 32.500 -0.161 0.000 0.713 86 K HN -0.077 8.104 8.250 -0.116 0.000 0.442 87 S N -0.813 114.771 115.700 -0.193 0.000 2.595 87 S HA -0.132 nan 4.470 nan 0.000 0.235 87 S C 0.502 175.117 174.600 0.025 0.000 0.974 87 S CA 2.557 60.684 58.200 -0.121 0.000 0.942 87 S CB -0.602 62.591 63.200 -0.012 0.000 0.766 87 S HN -0.196 8.019 8.310 -0.135 0.014 0.536 88 S N 0.239 115.921 115.700 -0.029 0.000 2.478 88 S HA -0.091 nan 4.470 nan 0.000 0.222 88 S C 0.179 174.931 174.600 0.252 0.000 1.008 88 S CA 1.081 59.338 58.200 0.096 0.000 0.928 88 S CB 0.912 64.117 63.200 0.008 0.000 0.781 88 S HN -0.431 7.610 8.310 -0.109 0.204 0.518 89 F N -2.196 117.757 119.950 0.006 0.000 3.057 89 F HA -0.389 nan 4.527 nan 0.000 0.287 89 F C -0.997 174.829 175.800 0.043 0.000 0.834 89 F CA 0.629 58.640 58.000 0.018 0.000 1.147 89 F CB -2.327 36.679 39.000 0.010 0.000 1.245 89 F HN -0.425 7.713 8.300 -0.270 0.000 0.509 90 A N -4.581 118.329 122.820 0.151 0.000 2.571 90 A HA 0.302 nan 4.320 nan 0.000 0.274 90 A C -1.549 176.171 177.584 0.226 0.000 1.196 90 A CA -0.290 51.873 52.037 0.210 0.000 0.957 90 A CB 2.159 21.282 19.000 0.204 0.000 1.150 90 A HN -0.514 7.644 8.150 0.089 0.045 0.539 91 T N -5.306 109.315 114.554 0.112 0.000 2.906 91 T HA 0.652 nan 4.350 nan 0.000 0.295 91 T C 0.133 174.864 174.700 0.052 0.000 1.061 91 T CA -1.642 60.523 62.100 0.108 0.000 1.000 91 T CB 2.893 71.805 68.868 0.074 0.000 1.103 91 T HN -0.457 7.815 8.240 0.053 0.000 0.486 92 C N -0.863 118.471 119.300 0.057 0.000 3.095 92 C HA 0.584 nan 4.460 nan 0.000 0.472 92 C C -1.144 173.868 174.990 0.037 0.000 1.348 92 C CA -0.283 58.752 59.018 0.029 0.000 2.206 92 C CB 1.936 29.684 27.740 0.013 0.000 3.088 92 C HN 0.862 9.144 8.230 0.086 0.000 0.599 93 V N 1.294 121.247 119.914 0.065 0.000 2.577 93 V HA 0.689 nan 4.120 nan 0.000 0.303 93 V C -2.529 173.636 176.094 0.118 0.000 1.042 93 V CA -0.354 61.989 62.300 0.072 0.000 0.872 93 V CB 2.296 34.153 31.823 0.056 0.000 0.998 93 V HN -0.817 7.424 8.190 0.086 0.000 0.423 94 L N 6.328 127.625 121.223 0.123 0.000 2.333 94 L HA 0.807 nan 4.340 nan 0.000 0.280 94 L C -1.649 175.292 176.870 0.118 0.000 1.004 94 L CA -1.001 53.961 54.840 0.203 0.000 0.820 94 L CB 2.645 44.865 42.059 0.268 0.000 1.247 94 L HN 0.891 9.064 8.230 0.092 0.112 0.416 95 V N 5.532 125.486 119.914 0.068 0.000 2.448 95 V HA 0.470 nan 4.120 nan 0.000 0.295 95 V C -1.423 174.404 176.094 -0.446 0.000 1.025 95 V CA -0.624 61.629 62.300 -0.079 0.000 0.859 95 V CB 2.642 34.480 31.823 0.025 0.000 0.988 95 V HN 0.759 9.045 8.190 0.160 0.000 0.431 96 T N 7.809 122.041 114.554 -0.537 0.000 2.887 96 T HA 0.459 nan 4.350 nan 0.000 0.288 96 T C 0.112 174.414 174.700 -0.663 0.000 1.021 96 T CA -0.953 60.572 62.100 -0.958 0.000 1.000 96 T CB 2.502 70.913 68.868 -0.762 0.000 1.034 96 T HN 0.244 8.325 8.240 -0.265 0.000 0.467 97 E N 4.582 124.174 120.200 -1.014 0.000 2.118 97 E HA -0.390 nan 4.350 nan 0.000 0.195 97 E C 0.260 176.663 176.600 -0.328 0.000 0.992 97 E CA 3.222 59.158 56.400 -0.773 0.000 0.804 97 E CB 0.076 29.392 29.700 -0.640 0.000 0.741 97 E HN 0.066 7.727 8.360 -1.165 0.000 0.458 98 E N -4.589 115.453 120.200 -0.262 0.000 2.347 98 E HA -0.072 nan 4.350 nan 0.000 0.196 98 E C -0.355 176.179 176.600 -0.111 0.000 1.008 98 E CA 0.779 57.093 56.400 -0.144 0.000 0.852 98 E CB -0.085 29.567 29.700 -0.080 0.000 0.783 98 E HN 0.174 8.321 8.360 -0.326 0.017 0.505 99 D N 0.537 120.876 120.400 -0.101 0.000 2.308 99 D HA 0.226 nan 4.640 nan 0.000 0.242 99 D C -0.546 175.786 176.300 0.054 0.000 1.059 99 D CA -0.562 53.422 54.000 -0.027 0.000 0.830 99 D CB 2.011 42.805 40.800 -0.010 0.000 1.161 99 D HN -0.605 7.522 8.370 -0.141 0.158 0.494 100 K N 4.380 124.797 120.400 0.027 0.000 2.020 100 K HA -0.403 nan 4.320 nan 0.000 0.212 100 K C -0.667 176.051 176.600 0.197 0.000 1.050 100 K CA 3.259 59.591 56.287 0.075 0.000 0.929 100 K CB 0.347 32.863 32.500 0.026 0.000 0.714 100 K HN 0.476 8.724 8.250 -0.004 0.000 0.443 101 N N -2.578 116.186 118.700 0.106 0.000 2.466 101 N HA 0.103 nan 4.740 nan 0.000 0.294 101 N C -0.932 174.610 175.510 0.054 0.000 1.129 101 N CA -0.828 52.267 53.050 0.076 0.000 0.931 101 N CB 1.883 40.396 38.487 0.043 0.000 1.193 101 N HN -0.550 7.870 8.380 0.068 0.000 0.500 102 A N 0.530 123.365 122.820 0.026 0.000 2.445 102 A HA 0.138 nan 4.320 nan 0.000 0.242 102 A C 0.004 177.604 177.584 0.026 0.000 1.075 102 A CA 0.208 52.254 52.037 0.015 0.000 0.777 102 A CB 0.683 19.684 19.000 0.002 0.000 1.013 102 A HN -0.212 8.156 8.150 0.019 -0.206 0.493 103 I N 2.176 122.769 120.570 0.038 0.000 2.304 103 I HA 0.068 nan 4.170 nan 0.000 0.291 103 I C -1.261 174.878 176.117 0.038 0.000 1.018 103 I CA -0.519 60.806 61.300 0.042 0.000 1.260 103 I CB 0.770 38.810 38.000 0.066 0.000 1.390 103 I HN 0.855 8.979 8.210 0.043 0.111 0.475 104 I N 7.913 128.497 120.570 0.023 0.000 2.342 104 I HA 0.240 nan 4.170 nan 0.000 0.291 104 I C -0.269 175.852 176.117 0.008 0.000 1.010 104 I CA -1.993 59.317 61.300 0.016 0.000 1.308 104 I CB -0.418 37.588 38.000 0.010 0.000 1.400 104 I HN 0.035 8.257 8.210 0.019 0.000 0.488 105 V N 8.196 128.112 119.914 0.003 0.000 2.775 105 V HA 0.023 nan 4.120 nan 0.000 0.299 105 V C 0.145 176.226 176.094 -0.022 0.000 1.062 105 V CA -0.332 61.956 62.300 -0.019 0.000 1.063 105 V CB 0.532 32.336 31.823 -0.033 0.000 0.994 105 V HN 0.744 8.832 8.190 0.010 0.109 0.483 106 E N 4.662 124.841 120.200 -0.035 0.000 2.452 106 E HA -0.011 nan 4.350 nan 0.000 0.261 106 E C -0.413 176.178 176.600 -0.016 0.000 0.987 106 E CA -0.531 55.854 56.400 -0.024 0.000 0.926 106 E CB -0.506 29.174 29.700 -0.033 0.000 0.934 106 E HN 0.250 8.579 8.360 -0.052 0.000 0.452 107 P HA -0.177 nan 4.420 nan 0.000 0.221 107 P C 0.289 177.610 177.300 0.035 0.000 1.145 107 P CA 2.294 65.402 63.100 0.015 0.000 0.795 107 P CB -0.010 31.699 31.700 0.015 0.000 0.775 108 E N -0.998 119.225 120.200 0.038 0.000 2.150 108 E HA -0.165 nan 4.350 nan 0.000 0.193 108 E C 0.968 177.657 176.600 0.149 0.000 0.985 108 E CA 2.252 58.705 56.400 0.087 0.000 0.814 108 E CB -0.452 29.296 29.700 0.081 0.000 0.752 108 E HN 0.634 8.956 8.360 0.020 0.050 0.466 109 K N -4.473 115.925 120.400 -0.004 0.000 2.387 109 K HA 0.121 nan 4.320 nan 0.000 0.203 109 K C -0.521 176.019 176.600 -0.100 0.000 1.030 109 K CA -0.916 55.234 56.287 -0.228 0.000 1.099 109 K CB 0.896 33.004 32.500 -0.654 0.000 0.863 109 K HN -0.321 7.774 8.250 -0.039 0.132 0.529 110 R N 0.806 121.305 120.500 -0.002 0.000 2.458 110 R HA -0.230 nan 4.340 nan 0.000 0.303 110 R C -0.290 176.041 176.300 0.050 0.000 1.013 110 R CA 0.813 56.921 56.100 0.013 0.000 1.026 110 R CB 0.165 30.474 30.300 0.014 0.000 0.948 110 R HN -0.582 7.514 8.270 0.016 0.184 0.417 111 G N 4.374 113.202 108.800 0.047 0.000 2.971 111 G HA2 0.420 nan 3.960 nan 0.000 0.235 111 G HA3 0.420 nan 3.960 nan 0.000 0.235 111 G C -1.753 173.146 174.900 -0.001 0.000 1.351 111 G CA -0.915 44.224 45.100 0.064 0.000 1.039 111 G HN 0.231 8.402 8.290 0.031 0.138 0.563 112 K N -2.801 117.547 120.400 -0.087 0.000 2.358 112 K HA 0.190 nan 4.320 nan 0.000 0.200 112 K C -0.292 176.081 176.600 -0.379 0.000 1.030 112 K CA 0.080 56.219 56.287 -0.247 0.000 1.097 112 K CB 1.522 33.807 32.500 -0.358 0.000 0.862 112 K HN -0.164 8.275 8.250 -0.052 -0.220 0.534 113 Y N -0.817 119.508 120.300 0.042 0.000 2.334 113 Y HA 0.384 nan 4.550 nan 0.000 0.328 113 Y C -1.161 174.784 175.900 0.075 0.000 1.130 113 Y CA -0.266 57.867 58.100 0.056 0.000 1.163 113 Y CB 1.573 40.056 38.460 0.039 0.000 1.207 113 Y HN -0.421 7.809 8.280 0.091 0.105 0.471 114 V N 3.531 123.624 119.914 0.298 0.000 2.398 114 V HA 0.555 nan 4.120 nan 0.000 0.286 114 V C -1.499 174.778 176.094 0.306 0.000 1.026 114 V CA -0.473 61.981 62.300 0.257 0.000 0.868 114 V CB 0.642 32.610 31.823 0.242 0.000 0.982 114 V HN 0.936 9.239 8.190 0.364 0.106 0.443 115 V N 6.806 126.882 119.914 0.271 0.000 2.531 115 V HA 0.671 nan 4.120 nan 0.000 0.301 115 V C -1.536 174.784 176.094 0.378 0.000 1.034 115 V CA -1.589 60.884 62.300 0.289 0.000 0.865 115 V CB 2.625 34.576 31.823 0.213 0.000 0.995 115 V HN 0.772 9.108 8.190 0.243 0.000 0.424 116 C N 7.223 126.744 119.300 0.367 0.000 2.298 116 C HA 1.026 nan 4.460 nan 0.000 0.323 116 C C -1.401 173.838 174.990 0.414 0.000 1.284 116 C CA -1.671 57.548 59.018 0.334 0.000 1.577 116 C CB 0.001 27.939 27.740 0.331 0.000 2.249 116 C HN 0.857 9.272 8.230 0.308 0.000 0.497 117 F N 1.479 121.538 119.950 0.180 0.000 2.645 117 F HA 0.687 nan 4.527 nan 0.000 0.310 117 F C -3.070 172.719 175.800 -0.019 0.000 1.102 117 F CA -2.509 55.583 58.000 0.153 0.000 0.952 117 F CB 2.760 41.854 39.000 0.157 0.000 1.326 117 F HN 0.942 9.017 8.300 -0.376 0.000 0.456 118 D N 0.834 121.332 120.400 0.163 0.000 2.461 118 D HA 0.596 nan 4.640 nan 0.000 0.240 118 D C -1.021 175.421 176.300 0.238 0.000 1.094 118 D CA -3.837 50.171 54.000 0.012 0.000 0.868 118 D CB 1.974 42.840 40.800 0.110 0.000 1.062 118 D HN 0.326 8.897 8.370 0.334 0.000 0.530 119 P HA -0.090 nan 4.420 nan 0.000 0.218 119 P C -0.939 176.499 177.300 0.230 0.000 1.149 119 P CA 1.485 64.779 63.100 0.324 0.000 0.817 119 P CB 0.409 32.303 31.700 0.324 0.000 0.785 120 L N -1.391 119.934 121.223 0.169 0.000 2.620 120 L HA 0.106 nan 4.340 nan 0.000 0.261 120 L C -2.632 174.308 176.870 0.116 0.000 0.978 120 L CA 0.073 55.011 54.840 0.165 0.000 0.897 120 L CB 2.483 44.618 42.059 0.127 0.000 1.207 120 L HN -0.836 7.597 8.230 0.130 -0.124 0.425 121 D N 4.086 124.552 120.400 0.110 0.000 2.225 121 D HA 0.311 nan 4.640 nan 0.000 0.248 121 D C 0.040 176.375 176.300 0.058 0.000 1.096 121 D CA -1.115 52.928 54.000 0.071 0.000 0.863 121 D CB 2.272 43.100 40.800 0.047 0.000 1.156 121 D HN 0.724 9.057 8.370 0.130 0.115 0.450 122 G N 3.512 112.343 108.800 0.051 0.000 2.131 122 G HA2 -0.340 nan 3.960 nan 0.000 0.201 122 G HA3 -0.340 nan 3.960 nan 0.000 0.201 122 G C 0.724 175.657 174.900 0.054 0.000 1.000 122 G CA 0.437 45.564 45.100 0.045 0.000 0.680 122 G HN 0.476 8.798 8.290 0.054 0.000 0.514 123 S N 1.361 117.095 115.700 0.057 0.000 2.402 123 S HA -0.430 nan 4.470 nan 0.000 0.233 123 S C 1.666 176.295 174.600 0.047 0.000 1.030 123 S CA 3.310 61.542 58.200 0.053 0.000 1.003 123 S CB -0.308 62.920 63.200 0.046 0.000 0.813 123 S HN 0.372 8.716 8.310 0.057 0.000 0.477 124 S N 0.991 116.720 115.700 0.049 0.000 2.419 124 S HA -0.218 nan 4.470 nan 0.000 0.233 124 S C 1.205 175.833 174.600 0.047 0.000 1.016 124 S CA 2.413 60.643 58.200 0.049 0.000 0.974 124 S CB -0.473 62.762 63.200 0.059 0.000 0.786 124 S HN 0.010 8.336 8.310 0.053 0.015 0.492 125 N N 1.000 119.728 118.700 0.046 0.000 2.494 125 N HA -0.057 nan 4.740 nan 0.000 0.182 125 N C 1.176 176.710 175.510 0.040 0.000 1.076 125 N CA 1.962 55.036 53.050 0.040 0.000 0.908 125 N CB 0.370 38.877 38.487 0.034 0.000 0.967 125 N HN -0.261 8.000 8.380 0.048 0.148 0.449 126 I N 0.305 120.901 120.570 0.043 0.000 2.118 126 I HA -0.509 nan 4.170 nan 0.000 0.241 126 I C 1.700 177.839 176.117 0.037 0.000 1.070 126 I CA 4.172 65.497 61.300 0.042 0.000 1.327 126 I CB -0.286 37.739 38.000 0.041 0.000 1.034 126 I HN -0.334 7.723 8.210 0.045 0.179 0.405 127 D N -0.191 120.230 120.400 0.036 0.000 2.221 127 D HA -0.181 nan 4.640 nan 0.000 0.204 127 D C 0.774 177.092 176.300 0.030 0.000 0.982 127 D CA 2.649 56.669 54.000 0.034 0.000 0.857 127 D CB -0.460 40.360 40.800 0.034 0.000 0.934 127 D HN 0.291 8.683 8.370 0.037 0.000 0.475 128 C N -3.136 116.182 119.300 0.030 0.000 2.791 128 C HA 0.103 nan 4.460 nan 0.000 0.270 128 C C 0.274 175.278 174.990 0.023 0.000 1.257 128 C CA -0.142 58.891 59.018 0.025 0.000 1.699 128 C CB 0.338 28.094 27.740 0.026 0.000 1.904 128 C HN -0.461 7.645 8.230 0.032 0.144 0.603 129 L N -4.347 116.892 121.223 0.027 0.000 4.089 129 L HA -0.502 nan 4.340 nan 0.000 0.408 129 L C -0.516 176.371 176.870 0.028 0.000 1.184 129 L CA 0.429 55.285 54.840 0.027 0.000 0.947 129 L CB -2.306 39.765 42.059 0.020 0.000 2.066 129 L HN -0.197 7.853 8.230 0.030 0.198 0.851 130 V N -0.719 119.212 119.914 0.028 0.000 3.051 130 V HA -0.017 nan 4.120 nan 0.000 0.306 130 V C 0.385 176.498 176.094 0.032 0.000 1.083 130 V CA -0.226 62.087 62.300 0.022 0.000 1.104 130 V CB 0.341 32.172 31.823 0.014 0.000 1.027 130 V HN -0.611 7.571 8.190 0.030 0.026 0.483 131 S N 2.407 118.120 115.700 0.022 0.000 2.546 131 S HA 0.049 nan 4.470 nan 0.000 0.290 131 S C -0.921 173.699 174.600 0.033 0.000 1.290 131 S CA 1.423 59.641 58.200 0.030 0.000 1.069 131 S CB 0.160 63.360 63.200 0.000 0.000 0.846 131 S HN 0.041 8.356 8.310 0.009 0.000 0.495 132 I N -2.904 117.717 120.570 0.085 0.000 3.206 132 I HA 1.060 nan 4.170 nan 0.000 0.313 132 I C -1.671 174.484 176.117 0.063 0.000 1.103 132 I CA -2.677 58.683 61.300 0.100 0.000 0.985 132 I CB 3.835 41.931 38.000 0.159 0.000 1.240 132 I HN -0.253 8.039 8.210 0.138 0.000 0.464 133 G N -2.153 106.676 108.800 0.048 0.000 2.600 133 G HA2 0.505 nan 3.960 nan 0.000 0.293 133 G HA3 0.505 nan 3.960 nan 0.000 0.293 133 G C -2.824 172.113 174.900 0.061 0.000 1.408 133 G CA -0.171 44.845 45.100 -0.139 0.000 0.782 133 G HN -0.325 8.023 8.290 0.096 0.000 0.482 134 T N 1.826 116.405 114.554 0.042 0.000 2.841 134 T HA 0.875 nan 4.350 nan 0.000 0.283 134 T C -1.222 173.593 174.700 0.192 0.000 1.000 134 T CA -0.354 61.871 62.100 0.208 0.000 0.977 134 T CB 1.742 70.799 68.868 0.314 0.000 0.979 134 T HN 0.273 8.448 8.240 -0.109 0.000 0.446 135 I N 4.563 125.258 120.570 0.210 0.000 2.545 135 I HA 0.999 nan 4.170 nan 0.000 0.292 135 I C -2.097 174.134 176.117 0.191 0.000 1.040 135 I CA -1.347 60.007 61.300 0.091 0.000 1.068 135 I CB 3.131 41.172 38.000 0.068 0.000 1.251 135 I HN 0.664 9.027 8.210 0.254 0.000 0.424 136 F N 1.829 121.866 119.950 0.145 0.000 2.631 136 F HA 0.890 nan 4.527 nan 0.000 0.308 136 F C -2.243 173.574 175.800 0.028 0.000 1.097 136 F CA -2.342 55.738 58.000 0.133 0.000 0.952 136 F CB 2.847 41.898 39.000 0.085 0.000 1.307 136 F HN 0.723 8.535 8.300 -0.814 0.000 0.450 137 G N -0.686 108.214 108.800 0.166 0.000 2.643 137 G HA2 0.780 nan 3.960 nan 0.000 0.305 137 G HA3 0.780 nan 3.960 nan 0.000 0.305 137 G C -2.879 171.978 174.900 -0.071 0.000 1.387 137 G CA -0.960 44.088 45.100 -0.086 0.000 0.982 137 G HN 0.864 9.229 8.290 0.293 0.101 0.501 138 I N 3.765 124.224 120.570 -0.184 0.000 2.406 138 I HA 0.740 nan 4.170 nan 0.000 0.290 138 I C -1.729 174.278 176.117 -0.183 0.000 0.999 138 I CA -1.155 60.087 61.300 -0.096 0.000 1.124 138 I CB 2.352 40.311 38.000 -0.069 0.000 1.289 138 I HN 1.054 9.001 8.210 -0.269 0.102 0.441 139 Y N 5.214 125.598 120.300 0.140 0.000 2.549 139 Y HA 0.541 nan 4.550 nan 0.000 0.339 139 Y C -1.646 174.386 175.900 0.220 0.000 1.053 139 Y CA -2.044 56.137 58.100 0.134 0.000 1.105 139 Y CB 3.410 41.921 38.460 0.085 0.000 1.258 139 Y HN 1.148 9.484 8.280 0.281 0.112 0.478 140 R N 0.937 121.631 120.500 0.324 0.000 2.312 140 R HA 0.379 nan 4.340 nan 0.000 0.311 140 R C -1.224 175.100 176.300 0.040 0.000 1.004 140 R CA -1.342 54.823 56.100 0.108 0.000 0.902 140 R CB 1.855 32.202 30.300 0.080 0.000 1.073 140 R HN 0.622 9.085 8.270 0.323 0.000 0.457 141 K N 6.471 126.838 120.400 -0.056 0.000 2.395 141 K HA -0.211 nan 4.320 nan 0.000 0.283 141 K C -0.599 175.976 176.600 -0.041 0.000 1.068 141 K CA 0.694 56.959 56.287 -0.038 0.000 1.039 141 K CB -0.084 32.382 32.500 -0.057 0.000 0.924 141 K HN 0.287 8.440 8.250 -0.162 0.000 0.468 142 N N 6.836 125.521 118.700 -0.024 0.000 2.527 142 N HA 0.179 nan 4.740 nan 0.000 0.236 142 N C -1.179 174.316 175.510 -0.025 0.000 0.999 142 N CA -0.052 52.986 53.050 -0.020 0.000 0.935 142 N CB -0.569 37.916 38.487 -0.004 0.000 1.132 142 N HN 0.162 8.528 8.380 -0.023 0.000 0.511 143 S N 3.811 119.496 115.700 -0.025 0.000 2.568 143 S HA -0.058 nan 4.470 nan 0.000 0.277 143 S C -1.499 173.087 174.600 -0.023 0.000 1.000 143 S CA -0.155 58.032 58.200 -0.023 0.000 1.064 143 S CB -0.452 62.733 63.200 -0.024 0.000 1.319 143 S HN -0.144 8.150 8.310 -0.028 0.000 0.458 144 T N -5.831 108.711 114.554 -0.019 0.000 3.192 144 T HA 0.261 nan 4.350 nan 0.000 0.295 144 T C -0.412 174.279 174.700 -0.015 0.000 0.947 144 T CA -0.143 61.947 62.100 -0.018 0.000 0.916 144 T CB 0.340 69.199 68.868 -0.014 0.000 1.169 144 T HN 0.011 8.240 8.240 -0.017 0.000 0.540 145 D N 2.398 122.789 120.400 -0.015 0.000 2.387 145 D HA 0.091 nan 4.640 nan 0.000 0.255 145 D C -0.837 175.456 176.300 -0.012 0.000 1.081 145 D CA -2.088 51.905 54.000 -0.012 0.000 0.994 145 D CB 0.750 41.543 40.800 -0.012 0.000 1.127 145 D HN -0.579 7.781 8.370 -0.017 0.000 0.513 146 E N -1.337 118.858 120.200 -0.009 0.000 2.829 146 E HA -0.157 nan 4.350 nan 0.000 0.264 146 E C -0.615 175.979 176.600 -0.009 0.000 0.922 146 E CA 0.003 56.399 56.400 -0.007 0.000 0.960 146 E CB -0.236 29.460 29.700 -0.005 0.000 0.918 146 E HN 0.263 8.618 8.360 -0.008 0.000 0.497 147 P HA 0.101 nan 4.420 nan 0.000 0.272 147 P C -1.285 176.012 177.300 -0.006 0.000 1.230 147 P CA -0.262 62.834 63.100 -0.008 0.000 0.788 147 P CB 0.753 32.452 31.700 -0.002 0.000 0.949 148 S N 0.713 116.407 115.700 -0.009 0.000 2.655 148 S HA 0.140 nan 4.470 nan 0.000 0.266 148 S C 0.446 175.038 174.600 -0.014 0.000 1.149 148 S CA -0.855 57.340 58.200 -0.009 0.000 0.818 148 S CB 1.622 64.814 63.200 -0.012 0.000 1.130 148 S HN 0.431 9.015 8.310 -0.011 -0.281 0.476 149 E N 3.746 123.937 120.200 -0.016 0.000 2.147 149 E HA -0.364 nan 4.350 nan 0.000 0.199 149 E C 1.444 178.018 176.600 -0.043 0.000 1.005 149 E CA 3.562 59.946 56.400 -0.026 0.000 0.810 149 E CB -0.448 29.236 29.700 -0.026 0.000 0.736 149 E HN 0.430 8.784 8.360 -0.011 0.000 0.460 150 K N -2.104 118.271 120.400 -0.041 0.000 2.281 150 K HA -0.246 nan 4.320 nan 0.000 0.203 150 K C 1.428 177.984 176.600 -0.073 0.000 1.046 150 K CA 2.316 58.571 56.287 -0.053 0.000 0.938 150 K CB -0.261 32.215 32.500 -0.040 0.000 0.737 150 K HN -0.545 7.669 8.250 -0.031 0.017 0.458 151 D N -2.103 118.260 120.400 -0.063 0.000 2.277 151 D HA -0.036 nan 4.640 nan 0.000 0.208 151 D C 0.419 176.639 176.300 -0.133 0.000 0.962 151 D CA 2.402 56.356 54.000 -0.077 0.000 0.865 151 D CB 0.370 41.148 40.800 -0.037 0.000 0.939 151 D HN -0.205 7.958 8.370 -0.045 0.180 0.510 152 A N -1.980 120.768 122.820 -0.120 0.000 2.081 152 A HA 0.033 nan 4.320 nan 0.000 0.214 152 A C 0.917 178.328 177.584 -0.287 0.000 1.158 152 A CA 1.741 53.679 52.037 -0.165 0.000 0.724 152 A CB 0.740 19.720 19.000 -0.033 0.000 0.826 152 A HN -0.171 7.780 8.150 -0.081 0.151 0.463 153 L N -0.790 120.309 121.223 -0.208 0.000 2.697 153 L HA -0.156 nan 4.340 nan 0.000 0.239 153 L C -0.777 175.960 176.870 -0.221 0.000 1.430 153 L CA 0.124 54.855 54.840 -0.182 0.000 1.193 153 L CB -2.374 39.618 42.059 -0.112 0.000 1.516 153 L HN -0.532 7.456 8.230 -0.157 0.148 0.439 154 Q N 1.449 121.019 119.800 -0.384 0.000 2.306 154 Q HA 0.296 nan 4.340 nan 0.000 0.265 154 Q C -2.147 173.763 176.000 -0.150 0.000 1.022 154 Q CA -3.182 52.424 55.803 -0.329 0.000 0.853 154 Q CB 1.661 30.059 28.738 -0.566 0.000 1.327 154 Q HN -0.344 7.505 8.270 -0.573 0.077 0.449 155 P HA 0.081 nan 4.420 nan 0.000 0.272 155 P C 0.230 177.656 177.300 0.210 0.000 1.223 155 P CA -0.504 62.639 63.100 0.072 0.000 0.784 155 P CB 1.256 32.987 31.700 0.052 0.000 0.923 156 G N 0.213 109.148 108.800 0.225 0.000 2.535 156 G HA2 -0.345 nan 3.960 nan 0.000 0.218 156 G HA3 -0.345 nan 3.960 nan 0.000 0.218 156 G C 1.495 176.551 174.900 0.260 0.000 1.122 156 G CA 1.528 46.791 45.100 0.271 0.000 0.769 156 G HN 0.773 9.157 8.290 0.155 0.000 0.549 157 R N 1.147 121.770 120.500 0.206 0.000 2.189 157 R HA -0.194 nan 4.340 nan 0.000 0.223 157 R C 1.089 177.517 176.300 0.214 0.000 1.092 157 R CA 1.691 57.900 56.100 0.183 0.000 0.989 157 R CB -0.255 30.112 30.300 0.111 0.000 0.876 157 R HN -0.423 7.888 8.270 0.167 0.060 0.457 158 N N -2.825 116.022 118.700 0.246 0.000 2.383 158 N HA -0.013 nan 4.740 nan 0.000 0.192 158 N C -0.070 175.610 175.510 0.284 0.000 1.141 158 N CA 0.005 53.210 53.050 0.258 0.000 0.851 158 N CB 0.214 38.853 38.487 0.255 0.000 0.976 158 N HN -0.325 8.069 8.380 0.268 0.147 0.465 159 L N -0.117 121.198 121.223 0.153 0.000 2.455 159 L HA -0.189 nan 4.340 nan 0.000 0.272 159 L C 0.297 177.088 176.870 -0.132 0.000 1.174 159 L CA 0.748 55.462 54.840 -0.211 0.000 0.869 159 L CB 0.257 41.966 42.059 -0.583 0.000 1.130 159 L HN -0.729 7.457 8.230 0.214 0.173 0.474 160 V N 3.524 123.365 119.914 -0.121 0.000 2.446 160 V HA -0.177 nan 4.120 nan 0.000 0.244 160 V C -0.848 175.172 176.094 -0.124 0.000 1.039 160 V CA 2.260 64.547 62.300 -0.022 0.000 1.045 160 V CB 0.176 32.041 31.823 0.069 0.000 0.681 160 V HN 0.540 8.641 8.190 -0.148 0.000 0.459 161 A N -5.687 116.972 122.820 -0.268 0.000 2.572 161 A HA 0.734 nan 4.320 nan 0.000 0.295 161 A C -3.095 174.269 177.584 -0.368 0.000 1.072 161 A CA -1.162 50.724 52.037 -0.252 0.000 0.691 161 A CB 3.474 22.433 19.000 -0.068 0.000 1.291 161 A HN -0.684 7.295 8.150 -0.286 0.000 0.404 162 A N -0.872 121.761 122.820 -0.311 0.000 2.604 162 A HA 0.989 nan 4.320 nan 0.000 0.295 162 A C -2.353 175.044 177.584 -0.313 0.000 1.067 162 A CA -0.688 51.149 52.037 -0.333 0.000 0.683 162 A CB 3.100 21.820 19.000 -0.467 0.000 1.281 162 A HN 0.594 8.641 8.150 -0.171 0.000 0.407 163 G N -1.463 106.869 108.800 -0.779 0.000 2.348 163 G HA2 0.727 nan 3.960 nan 0.000 0.296 163 G HA3 0.727 nan 3.960 nan 0.000 0.296 163 G C -3.460 170.916 174.900 -0.874 0.000 1.258 163 G CA 1.086 45.775 45.100 -0.685 0.000 0.868 163 G HN 0.399 8.014 8.290 -1.126 0.000 0.488 164 Y N -5.393 114.628 120.300 -0.465 0.000 2.656 164 Y HA 0.865 nan 4.550 nan 0.000 0.334 164 Y C -3.100 172.736 175.900 -0.106 0.000 1.179 164 Y CA -2.290 55.639 58.100 -0.285 0.000 1.050 164 Y CB 2.356 40.685 38.460 -0.218 0.000 1.308 164 Y HN 0.373 8.207 8.280 -0.744 0.000 0.456 165 A N -1.420 121.460 122.820 0.099 0.000 2.331 165 A HA 0.802 nan 4.320 nan 0.000 0.320 165 A C -2.909 174.502 177.584 -0.289 0.000 1.138 165 A CA -1.917 50.074 52.037 -0.076 0.000 0.790 165 A CB 2.331 21.315 19.000 -0.027 0.000 1.206 165 A HN 0.802 9.035 8.150 0.139 0.000 0.470 166 L N 3.742 124.799 121.223 -0.278 0.000 2.305 166 L HA 0.642 nan 4.340 nan 0.000 0.284 166 L C -2.117 174.520 176.870 -0.388 0.000 1.013 166 L CA -1.710 52.919 54.840 -0.352 0.000 0.819 166 L CB 2.997 44.933 42.059 -0.206 0.000 1.227 166 L HN 0.683 8.703 8.230 -0.169 0.108 0.417 167 Y N 6.795 127.121 120.300 0.043 0.000 2.802 167 Y HA 0.329 nan 4.550 nan 0.000 0.330 167 Y C -0.654 175.254 175.900 0.014 0.000 1.193 167 Y CA -1.738 56.382 58.100 0.034 0.000 1.427 167 Y CB -1.953 36.530 38.460 0.039 0.000 1.357 167 Y HN 0.818 8.762 8.280 -0.560 0.000 0.501 168 G N 1.826 110.674 108.800 0.079 0.000 3.341 168 G HA2 0.274 nan 3.960 nan 0.000 0.177 168 G HA3 0.274 nan 3.960 nan 0.000 0.177 168 G C 0.316 175.245 174.900 0.049 0.000 1.236 168 G CA -0.882 44.246 45.100 0.047 0.000 0.888 168 G HN -0.067 8.259 8.290 0.060 0.000 0.644 169 S N 0.032 115.750 115.700 0.030 0.000 2.423 169 S HA -0.098 nan 4.470 nan 0.000 0.231 169 S C 0.209 174.826 174.600 0.029 0.000 1.014 169 S CA 1.897 60.113 58.200 0.026 0.000 0.965 169 S CB 0.404 63.614 63.200 0.016 0.000 0.785 169 S HN 0.320 8.644 8.310 0.023 0.000 0.495 170 A N 0.960 123.800 122.820 0.034 0.000 2.566 170 A HA 0.266 nan 4.320 nan 0.000 0.292 170 A C -1.989 175.629 177.584 0.057 0.000 1.112 170 A CA -0.459 51.600 52.037 0.037 0.000 0.707 170 A CB 2.533 21.549 19.000 0.027 0.000 1.302 170 A HN -0.771 7.364 8.150 0.030 0.033 0.409 171 T N 1.939 116.542 114.554 0.082 0.000 2.744 171 T HA 0.541 nan 4.350 nan 0.000 0.291 171 T C -1.673 173.118 174.700 0.152 0.000 0.957 171 T CA 0.627 62.815 62.100 0.146 0.000 1.002 171 T CB 0.167 69.173 68.868 0.230 0.000 0.919 171 T HN 0.513 8.788 8.240 0.058 0.000 0.468 172 M N 7.403 127.057 119.600 0.090 0.000 2.464 172 M HA 0.889 nan 4.480 nan 0.000 0.308 172 M C -2.740 173.584 176.300 0.040 0.000 1.127 172 M CA -1.139 54.213 55.300 0.086 0.000 0.913 172 M CB 4.207 36.759 32.600 -0.080 0.000 1.689 172 M HN 0.597 8.888 8.290 0.001 0.000 0.445 173 L N 5.008 126.256 121.223 0.042 0.000 2.333 173 L HA 0.789 nan 4.340 nan 0.000 0.280 173 L C -2.540 174.236 176.870 -0.156 0.000 1.004 173 L CA -0.960 53.782 54.840 -0.162 0.000 0.820 173 L CB 3.296 45.036 42.059 -0.532 0.000 1.247 173 L HN 0.780 8.998 8.230 0.160 0.107 0.416 174 V N 7.047 126.727 119.914 -0.391 0.000 2.409 174 V HA 0.698 nan 4.120 nan 0.000 0.291 174 V C -2.069 173.853 176.094 -0.286 0.000 1.020 174 V CA -1.417 60.638 62.300 -0.407 0.000 0.848 174 V CB 1.514 32.845 31.823 -0.819 0.000 0.990 174 V HN 1.067 8.938 8.190 -0.531 0.000 0.430 175 L N 8.526 129.715 121.223 -0.058 0.000 2.356 175 L HA 0.882 nan 4.340 nan 0.000 0.277 175 L C -2.743 174.173 176.870 0.077 0.000 0.996 175 L CA -1.434 53.433 54.840 0.045 0.000 0.822 175 L CB 4.227 46.368 42.059 0.137 0.000 1.256 175 L HN 0.670 8.894 8.230 -0.009 0.000 0.413 176 A N 6.280 129.161 122.820 0.101 0.000 2.318 176 A HA 0.951 nan 4.320 nan 0.000 0.317 176 A C -2.197 175.564 177.584 0.295 0.000 1.159 176 A CA -1.440 50.719 52.037 0.204 0.000 0.799 176 A CB 2.337 21.505 19.000 0.280 0.000 1.194 176 A HN 1.021 9.210 8.150 0.065 0.000 0.479 177 M N 2.357 122.127 119.600 0.284 0.000 2.846 177 M HA 0.554 nan 4.480 nan 0.000 0.282 177 M C 0.936 177.388 176.300 0.253 0.000 1.266 177 M CA -1.140 54.322 55.300 0.269 0.000 0.766 177 M CB 3.723 36.431 32.600 0.179 0.000 1.739 177 M HN 0.576 9.004 8.290 0.229 0.000 0.442 178 V N 1.852 121.888 119.914 0.203 0.000 2.324 178 V HA -0.433 nan 4.120 nan 0.000 0.250 178 V C 0.875 177.018 176.094 0.082 0.000 1.060 178 V CA 3.750 66.131 62.300 0.136 0.000 1.042 178 V CB -0.169 31.719 31.823 0.108 0.000 0.650 178 V HN 0.881 9.180 8.190 0.183 0.000 0.450 179 N N -5.761 112.993 118.700 0.090 0.000 2.515 179 N HA -0.093 nan 4.740 nan 0.000 0.185 179 N C 0.619 176.173 175.510 0.074 0.000 1.109 179 N CA 0.462 53.555 53.050 0.072 0.000 0.903 179 N CB -0.164 38.368 38.487 0.075 0.000 0.969 179 N HN 0.082 8.506 8.380 0.107 0.020 0.450 180 G N -1.350 107.500 108.800 0.082 0.000 2.346 180 G HA2 -0.173 nan 3.960 nan 0.000 0.294 180 G HA3 -0.173 nan 3.960 nan 0.000 0.294 180 G C -3.066 171.882 174.900 0.080 0.000 1.294 180 G CA -0.490 44.647 45.100 0.060 0.000 0.962 180 G HN -0.485 7.690 8.290 0.099 0.175 0.508 181 V N 0.297 120.234 119.914 0.037 0.000 2.459 181 V HA 0.587 nan 4.120 nan 0.000 0.295 181 V C -1.353 174.713 176.094 -0.047 0.000 1.029 181 V CA -1.469 60.839 62.300 0.013 0.000 0.874 181 V CB 1.887 33.708 31.823 -0.005 0.000 0.985 181 V HN 0.313 8.514 8.190 0.018 0.000 0.438 182 N N 5.958 124.598 118.700 -0.099 0.000 2.229 182 N HA 0.672 nan 4.740 nan 0.000 0.298 182 N C -2.121 173.138 175.510 -0.418 0.000 1.114 182 N CA -0.533 52.325 53.050 -0.320 0.000 0.776 182 N CB 4.962 43.141 38.487 -0.512 0.000 1.501 182 N HN 0.499 8.853 8.380 -0.042 0.000 0.474 183 C N 1.056 120.028 119.300 -0.546 0.000 2.322 183 C HA 0.861 nan 4.460 nan 0.000 0.324 183 C C -1.415 173.208 174.990 -0.612 0.000 1.284 183 C CA -0.838 57.941 59.018 -0.399 0.000 1.606 183 C CB 0.682 28.322 27.740 -0.166 0.000 2.251 183 C HN 0.991 8.788 8.230 -0.541 0.109 0.502 184 F N 3.595 123.485 119.950 -0.099 0.000 2.449 184 F HA 0.622 nan 4.527 nan 0.000 0.342 184 F C -1.779 174.117 175.800 0.160 0.000 1.127 184 F CA -1.780 56.220 58.000 0.000 0.000 0.975 184 F CB 2.660 41.631 39.000 -0.049 0.000 1.146 184 F HN 1.075 9.408 8.300 0.056 0.000 0.444 185 M N 4.428 124.197 119.600 0.282 0.000 2.144 185 M HA 0.545 nan 4.480 nan 0.000 0.356 185 M C -1.721 174.685 176.300 0.176 0.000 1.217 185 M CA -1.518 53.906 55.300 0.206 0.000 1.087 185 M CB 2.009 34.666 32.600 0.094 0.000 1.609 185 M HN 0.832 9.246 8.290 0.206 0.000 0.467 186 L N 7.070 128.317 121.223 0.041 0.000 2.360 186 L HA 0.206 nan 4.340 nan 0.000 0.276 186 L C -1.571 175.190 176.870 -0.182 0.000 1.121 186 L CA 0.307 54.936 54.840 -0.351 0.000 0.845 186 L CB 0.869 42.594 42.059 -0.556 0.000 1.143 186 L HN 0.529 8.832 8.230 0.122 0.000 0.452 187 D N 7.796 128.087 120.400 -0.183 0.000 2.443 187 D HA 0.356 nan 4.640 nan 0.000 0.221 187 D C -0.883 175.340 176.300 -0.129 0.000 1.097 187 D CA -3.460 50.478 54.000 -0.103 0.000 0.865 187 D CB 1.619 42.381 40.800 -0.064 0.000 1.034 187 D HN 0.117 8.345 8.370 -0.237 0.000 0.511 188 P HA -0.067 nan 4.420 nan 0.000 0.230 188 P C -0.472 176.786 177.300 -0.070 0.000 1.158 188 P CA 0.666 63.708 63.100 -0.098 0.000 0.769 188 P CB 0.058 31.715 31.700 -0.072 0.000 0.807 189 A N -0.139 122.647 122.820 -0.056 0.000 1.897 189 A HA -0.128 nan 4.320 nan 0.000 0.215 189 A C 1.022 178.581 177.584 -0.042 0.000 1.181 189 A CA 1.871 53.883 52.037 -0.040 0.000 0.620 189 A CB 0.344 19.326 19.000 -0.030 0.000 0.821 189 A HN 0.129 8.437 8.150 -0.057 -0.192 0.443 190 I N -8.696 111.844 120.570 -0.050 0.000 4.025 190 I HA 0.337 nan 4.170 nan 0.000 0.336 190 I C 0.634 176.715 176.117 -0.060 0.000 1.390 190 I CA -1.158 60.116 61.300 -0.044 0.000 1.099 190 I CB 0.780 38.763 38.000 -0.029 0.000 1.049 190 I HN -0.805 7.529 8.210 -0.058 -0.159 0.394 191 G N 1.711 110.454 108.800 -0.094 0.000 2.350 191 G HA2 -0.452 nan 3.960 nan 0.000 0.298 191 G HA3 -0.452 nan 3.960 nan 0.000 0.298 191 G C -1.801 173.020 174.900 -0.132 0.000 1.037 191 G CA 0.881 45.905 45.100 -0.126 0.000 1.074 191 G HN -0.145 8.086 8.290 -0.098 0.000 0.511 192 E N -1.583 118.520 120.200 -0.162 0.000 2.308 192 E HA 0.344 nan 4.350 nan 0.000 0.275 192 E C -1.836 174.685 176.600 -0.132 0.000 0.890 192 E CA -2.075 54.270 56.400 -0.091 0.000 0.754 192 E CB 4.086 33.776 29.700 -0.016 0.000 1.207 192 E HN -0.770 7.480 8.360 -0.183 0.000 0.426 193 F N 3.458 123.410 119.950 0.004 0.000 2.427 193 F HA 0.354 nan 4.527 nan 0.000 0.352 193 F C -0.357 175.512 175.800 0.115 0.000 1.100 193 F CA 0.316 58.342 58.000 0.044 0.000 1.191 193 F CB 0.853 39.838 39.000 -0.024 0.000 1.128 193 F HN 0.404 8.841 8.300 0.228 0.000 0.533 194 I N 3.263 124.029 120.570 0.328 0.000 2.441 194 I HA 0.516 nan 4.170 nan 0.000 0.295 194 I C -1.475 174.809 176.117 0.278 0.000 0.994 194 I CA -2.648 58.806 61.300 0.257 0.000 1.144 194 I CB 1.611 39.685 38.000 0.124 0.000 1.314 194 I HN 0.917 9.191 8.210 0.297 0.115 0.445 195 L N 8.574 129.933 121.223 0.226 0.000 2.433 195 L HA 0.049 nan 4.340 nan 0.000 0.275 195 L C -0.937 175.829 176.870 -0.174 0.000 1.128 195 L CA 0.903 55.612 54.840 -0.218 0.000 0.875 195 L CB -0.321 41.619 42.059 -0.199 0.000 1.171 195 L HN 0.398 8.790 8.230 0.270 0.000 0.463 196 V N 1.517 121.293 119.914 -0.231 0.000 3.612 196 V HA 0.401 nan 4.120 nan 0.000 0.268 196 V C -0.141 175.870 176.094 -0.138 0.000 1.365 196 V CA -0.785 61.442 62.300 -0.122 0.000 1.044 196 V CB 0.792 32.584 31.823 -0.051 0.000 0.820 196 V HN 0.751 8.620 8.190 -0.357 0.107 0.444 197 D N 2.150 122.416 120.400 -0.224 0.000 2.736 197 D HA 0.275 nan 4.640 nan 0.000 0.243 197 D C -2.296 173.864 176.300 -0.233 0.000 1.304 197 D CA -0.370 53.528 54.000 -0.170 0.000 0.934 197 D CB 2.952 43.681 40.800 -0.119 0.000 1.382 197 D HN -0.303 7.857 8.370 -0.350 0.000 0.571 198 R N 3.780 124.184 120.500 -0.161 0.000 2.407 198 R HA 0.215 nan 4.340 nan 0.000 0.303 198 R C -0.586 175.669 176.300 -0.076 0.000 0.981 198 R CA -0.384 55.633 56.100 -0.139 0.000 0.905 198 R CB 1.144 31.397 30.300 -0.078 0.000 1.099 198 R HN 0.294 8.496 8.270 -0.113 0.000 0.459 199 N N 2.830 121.497 118.700 -0.056 0.000 2.688 199 N HA -0.360 nan 4.740 nan 0.000 0.258 199 N C -0.484 175.009 175.510 -0.029 0.000 1.016 199 N CA 0.686 53.725 53.050 -0.018 0.000 0.747 199 N CB -0.730 37.762 38.487 0.008 0.000 0.895 199 N HN -0.032 8.303 8.380 -0.074 0.000 0.543 200 V N -1.809 118.079 119.914 -0.043 0.000 2.740 200 V HA -0.179 nan 4.120 nan 0.000 0.303 200 V C -0.923 175.154 176.094 -0.028 0.000 1.054 200 V CA 1.363 63.639 62.300 -0.040 0.000 1.106 200 V CB 0.704 32.498 31.823 -0.048 0.000 0.957 200 V HN -0.241 7.915 8.190 -0.055 0.000 0.486 201 K N 3.590 123.974 120.400 -0.027 0.000 2.471 201 K HA 0.273 nan 4.320 nan 0.000 0.252 201 K C -1.140 175.445 176.600 -0.026 0.000 0.938 201 K CA -2.049 54.224 56.287 -0.023 0.000 0.796 201 K CB 2.034 34.522 32.500 -0.021 0.000 1.161 201 K HN -0.180 8.053 8.250 -0.029 0.000 0.425 202 I N 4.346 124.903 120.570 -0.022 0.000 2.882 202 I HA -0.122 nan 4.170 nan 0.000 0.286 202 I C -0.903 175.197 176.117 -0.029 0.000 1.139 202 I CA -0.036 61.250 61.300 -0.024 0.000 1.379 202 I CB 1.340 39.333 38.000 -0.011 0.000 1.410 202 I HN 0.380 8.472 8.210 -0.019 0.107 0.594 203 K N 5.340 125.714 120.400 -0.043 0.000 2.258 203 K HA 0.004 nan 4.320 nan 0.000 0.264 203 K C 0.219 176.802 176.600 -0.028 0.000 1.007 203 K CA 0.440 56.696 56.287 -0.051 0.000 0.941 203 K CB 0.767 33.212 32.500 -0.092 0.000 0.966 203 K HN 0.242 8.461 8.250 -0.051 0.000 0.480 204 K N 0.707 121.094 120.400 -0.022 0.000 2.103 204 K HA -0.253 nan 4.320 nan 0.000 0.204 204 K C 0.088 176.695 176.600 0.013 0.000 1.052 204 K CA 2.558 58.843 56.287 -0.002 0.000 0.945 204 K CB 0.525 33.025 32.500 -0.001 0.000 0.722 204 K HN 0.356 8.589 8.250 -0.028 0.000 0.443 205 K N -3.096 117.304 120.400 -0.001 0.000 2.513 205 K HA 0.184 nan 4.320 nan 0.000 0.251 205 K C -1.509 175.066 176.600 -0.042 0.000 0.939 205 K CA -1.402 54.899 56.287 0.023 0.000 0.793 205 K CB 2.651 35.176 32.500 0.043 0.000 1.241 205 K HN -0.703 7.532 8.250 -0.025 0.000 0.431 206 G N 1.353 110.130 108.800 -0.039 0.000 2.753 206 G HA2 0.502 nan 3.960 nan 0.000 0.285 206 G HA3 0.502 nan 3.960 nan 0.000 0.285 206 G C -1.556 173.072 174.900 -0.454 0.000 1.344 206 G CA -1.662 43.320 45.100 -0.197 0.000 1.050 206 G HN 0.459 9.148 8.290 0.063 -0.360 0.532 207 S N -2.726 112.618 115.700 -0.595 0.000 2.855 207 S HA 0.150 nan 4.470 nan 0.000 0.249 207 S C -1.007 173.195 174.600 -0.663 0.000 1.033 207 S CA -0.443 57.170 58.200 -0.980 0.000 1.038 207 S CB 0.795 63.705 63.200 -0.484 0.000 0.960 207 S HN 0.257 8.309 8.310 -0.430 0.000 0.548 208 I N 0.732 121.125 120.570 -0.295 0.000 2.619 208 I HA 0.723 nan 4.170 nan 0.000 0.292 208 I C -2.280 174.044 176.117 0.345 0.000 1.100 208 I CA -0.735 60.617 61.300 0.086 0.000 1.043 208 I CB 4.367 42.443 38.000 0.126 0.000 1.239 208 I HN -0.786 7.273 8.210 -0.251 0.000 0.420 209 Y N 3.698 124.182 120.300 0.307 0.000 2.509 209 Y HA 0.771 nan 4.550 nan 0.000 0.341 209 Y C -2.635 173.404 175.900 0.231 0.000 1.038 209 Y CA -3.309 54.967 58.100 0.293 0.000 1.089 209 Y CB 2.807 41.414 38.460 0.244 0.000 1.241 209 Y HN 0.274 8.637 8.280 0.139 0.000 0.468 210 S N 1.077 116.930 115.700 0.255 0.000 2.733 210 S HA 0.424 nan 4.470 nan 0.000 0.294 210 S C -2.285 172.423 174.600 0.179 0.000 1.149 210 S CA -1.499 56.841 58.200 0.233 0.000 1.034 210 S CB 1.536 64.998 63.200 0.437 0.000 1.015 210 S HN 0.066 8.591 8.310 0.358 0.000 0.486 211 I N 3.083 123.652 120.570 -0.002 0.000 2.908 211 I HA 0.169 nan 4.170 nan 0.000 0.300 211 I C -2.639 173.021 176.117 -0.763 0.000 1.385 211 I CA -0.808 60.306 61.300 -0.310 0.000 1.004 211 I CB 4.141 42.081 38.000 -0.100 0.000 1.309 211 I HN -0.001 8.186 8.210 -0.039 0.000 0.449 212 N N 5.287 123.415 118.700 -0.953 0.000 2.555 212 N HA -0.007 nan 4.740 nan 0.000 0.244 212 N C 0.671 176.050 175.510 -0.218 0.000 1.114 212 N CA -1.024 51.544 53.050 -0.802 0.000 0.963 212 N CB -0.806 37.372 38.487 -0.514 0.000 1.276 212 N HN 0.552 8.504 8.380 -0.713 0.000 0.510 213 E N 5.782 125.899 120.200 -0.139 0.000 2.515 213 E HA -0.226 nan 4.350 nan 0.000 0.201 213 E C 1.614 178.085 176.600 -0.215 0.000 1.071 213 E CA 1.382 57.771 56.400 -0.019 0.000 0.880 213 E CB -0.475 29.256 29.700 0.053 0.000 0.828 213 E HN -0.088 8.153 8.360 -0.198 0.000 0.540 214 G N -0.234 108.346 108.800 -0.366 0.000 2.598 214 G HA2 -0.134 nan 3.960 nan 0.000 0.215 214 G HA3 -0.134 nan 3.960 nan 0.000 0.215 214 G C 0.400 175.001 174.900 -0.499 0.000 1.131 214 G CA 1.026 45.868 45.100 -0.430 0.000 0.785 214 G HN -0.172 8.067 8.290 -0.417 -0.199 0.539 215 Y N -1.126 118.953 120.300 -0.368 0.000 2.493 215 Y HA 0.120 nan 4.550 nan 0.000 0.275 215 Y C 0.479 175.716 175.900 -1.105 0.000 1.183 215 Y CA -2.423 55.343 58.100 -0.556 0.000 1.258 215 Y CB -1.454 36.756 38.460 -0.417 0.000 1.108 215 Y HN -0.591 7.356 8.280 -0.465 0.054 0.521 216 A N 1.189 123.494 122.820 -0.858 0.000 1.915 216 A HA -0.481 nan 4.320 nan 0.000 0.220 216 A C 1.848 179.154 177.584 -0.463 0.000 1.198 216 A CA 3.751 55.322 52.037 -0.776 0.000 0.647 216 A CB -0.801 18.024 19.000 -0.292 0.000 0.825 216 A HN -0.332 7.313 8.150 -0.561 0.168 0.456 217 K N -2.861 117.374 120.400 -0.274 0.000 2.173 217 K HA -0.275 nan 4.320 nan 0.000 0.207 217 K C 1.375 177.905 176.600 -0.116 0.000 1.046 217 K CA 2.688 58.890 56.287 -0.142 0.000 0.929 217 K CB -0.399 32.047 32.500 -0.091 0.000 0.720 217 K HN 0.268 8.367 8.250 -0.252 0.000 0.453 218 E N -4.164 115.933 120.200 -0.172 0.000 2.474 218 E HA -0.016 nan 4.350 nan 0.000 0.194 218 E C 0.377 177.025 176.600 0.081 0.000 1.041 218 E CA -0.467 55.900 56.400 -0.056 0.000 0.874 218 E CB 0.168 29.844 29.700 -0.041 0.000 0.914 218 E HN -0.156 7.875 8.360 -0.286 0.157 0.498 219 F N 0.004 119.952 119.950 -0.003 0.000 2.506 219 F HA -0.114 nan 4.527 nan 0.000 0.351 219 F C 0.559 176.335 175.800 -0.041 0.000 1.136 219 F CA -0.890 57.094 58.000 -0.027 0.000 1.298 219 F CB 0.029 39.008 39.000 -0.034 0.000 1.145 219 F HN -0.418 7.597 8.300 -0.199 0.165 0.593 220 D N 0.651 121.137 120.400 0.143 0.000 2.358 220 D HA 0.119 nan 4.640 nan 0.000 0.244 220 D C 0.132 176.389 176.300 -0.071 0.000 1.163 220 D CA -1.711 52.303 54.000 0.023 0.000 0.945 220 D CB -0.506 40.300 40.800 0.010 0.000 1.152 220 D HN 0.189 8.643 8.370 0.140 0.000 0.451 221 P HA -0.249 nan 4.420 nan 0.000 0.219 221 P C 0.395 177.381 177.300 -0.524 0.000 1.146 221 P CA 2.271 65.236 63.100 -0.225 0.000 0.808 221 P CB 0.015 31.655 31.700 -0.101 0.000 0.779 222 A N -0.770 121.605 122.820 -0.743 0.000 1.872 222 A HA -0.196 nan 4.320 nan 0.000 0.214 222 A C 2.338 179.588 177.584 -0.556 0.000 1.187 222 A CA 2.890 54.378 52.037 -0.915 0.000 0.614 222 A CB -0.654 17.465 19.000 -1.468 0.000 0.826 222 A HN -0.531 7.329 8.150 -0.621 -0.082 0.442 223 I N -1.775 118.524 120.570 -0.451 0.000 2.142 223 I HA -0.524 nan 4.170 nan 0.000 0.240 223 I C 1.913 177.941 176.117 -0.148 0.000 1.078 223 I CA 3.224 64.344 61.300 -0.299 0.000 1.343 223 I CB -1.235 36.498 38.000 -0.444 0.000 1.046 223 I HN 0.035 8.282 8.210 -0.466 -0.317 0.405 224 T N 1.401 115.911 114.554 -0.074 0.000 2.665 224 T HA -0.415 nan 4.350 nan 0.000 0.268 224 T C 1.952 176.633 174.700 -0.032 0.000 1.035 224 T CA 5.207 67.321 62.100 0.024 0.000 1.151 224 T CB -0.701 68.189 68.868 0.037 0.000 0.862 224 T HN -0.348 7.841 8.240 -0.085 0.000 0.438 225 E N 1.293 121.445 120.200 -0.080 0.000 2.106 225 E HA -0.327 nan 4.350 nan 0.000 0.192 225 E C 1.680 178.248 176.600 -0.053 0.000 0.984 225 E CA 2.882 59.249 56.400 -0.054 0.000 0.806 225 E CB -0.098 29.577 29.700 -0.041 0.000 0.750 225 E HN -0.595 7.677 8.360 -0.146 0.000 0.458 226 Y N 0.812 120.996 120.300 -0.194 0.000 2.114 226 Y HA -0.374 nan 4.550 nan 0.000 0.284 226 Y C 1.864 177.608 175.900 -0.260 0.000 1.143 226 Y CA 3.286 61.258 58.100 -0.214 0.000 1.135 226 Y CB 0.098 38.423 38.460 -0.225 0.000 0.980 226 Y HN -0.517 7.684 8.280 -0.007 0.074 0.499 227 I N -1.784 118.633 120.570 -0.255 0.000 2.194 227 I HA -0.684 nan 4.170 nan 0.000 0.246 227 I C 1.849 177.758 176.117 -0.346 0.000 1.093 227 I CA 3.943 64.996 61.300 -0.412 0.000 1.355 227 I CB -0.366 37.539 38.000 -0.157 0.000 1.046 227 I HN 0.399 8.565 8.210 -0.072 0.000 0.413 228 Q N -0.999 118.707 119.800 -0.158 0.000 2.124 228 Q HA -0.336 nan 4.340 nan 0.000 0.202 228 Q C 2.286 178.252 176.000 -0.057 0.000 0.977 228 Q CA 3.090 58.878 55.803 -0.025 0.000 0.850 228 Q CB -0.582 28.151 28.738 -0.010 0.000 0.901 228 Q HN -0.337 7.786 8.270 -0.121 0.074 0.429 229 R N -2.501 117.878 120.500 -0.201 0.000 2.115 229 R HA -0.324 nan 4.340 nan 0.000 0.230 229 R C 1.811 177.901 176.300 -0.351 0.000 1.111 229 R CA 2.820 58.783 56.100 -0.228 0.000 0.976 229 R CB -0.110 30.030 30.300 -0.267 0.000 0.870 229 R HN -0.304 7.729 8.270 -0.234 0.096 0.445 230 K N -2.802 117.252 120.400 -0.577 0.000 2.103 230 K HA -0.105 nan 4.320 nan 0.000 0.204 230 K C 1.886 178.277 176.600 -0.347 0.000 1.052 230 K CA 2.526 58.419 56.287 -0.657 0.000 0.945 230 K CB 0.091 31.968 32.500 -1.038 0.000 0.722 230 K HN -0.362 7.375 8.250 -0.652 0.122 0.443 231 K N -1.745 118.471 120.400 -0.306 0.000 2.137 231 K HA -0.119 nan 4.320 nan 0.000 0.202 231 K C 1.057 177.295 176.600 -0.603 0.000 1.052 231 K CA 2.696 58.755 56.287 -0.379 0.000 0.961 231 K CB 0.880 33.161 32.500 -0.366 0.000 0.741 231 K HN -0.678 7.389 8.250 -0.305 0.000 0.452 232 F N -1.858 118.031 119.950 -0.101 0.000 2.564 232 F HA 0.275 nan 4.527 nan 0.000 0.361 232 F C -2.364 173.384 175.800 -0.086 0.000 1.161 232 F CA -2.873 55.084 58.000 -0.070 0.000 1.198 232 F CB -0.112 38.853 39.000 -0.058 0.000 1.424 232 F HN -0.224 8.124 8.300 0.079 0.000 0.517 233 P HA 0.100 nan 4.420 nan 0.000 0.262 233 P C -0.807 176.507 177.300 0.023 0.000 1.199 233 P CA -1.178 61.917 63.100 -0.009 0.000 0.763 233 P CB -0.063 31.628 31.700 -0.017 0.000 0.790 234 P HA -0.161 nan 4.420 nan 0.000 0.220 234 P C -0.879 176.427 177.300 0.010 0.000 1.148 234 P CA 2.127 65.233 63.100 0.010 0.000 0.803 234 P CB -0.359 31.339 31.700 -0.003 0.000 0.782 235 D N -3.978 116.427 120.400 0.007 0.000 2.325 235 D HA -0.098 nan 4.640 nan 0.000 0.225 235 D C -0.167 176.143 176.300 0.015 0.000 1.096 235 D CA -0.911 53.096 54.000 0.010 0.000 0.844 235 D CB -0.710 40.096 40.800 0.010 0.000 0.925 235 D HN -0.130 8.214 8.370 0.002 0.027 0.513 236 N N -0.719 117.992 118.700 0.019 0.000 2.735 236 N HA -0.382 nan 4.740 nan 0.000 0.248 236 N C -1.033 174.490 175.510 0.022 0.000 1.083 236 N CA 1.098 54.161 53.050 0.023 0.000 0.703 236 N CB -1.154 37.346 38.487 0.022 0.000 1.005 236 N HN 0.020 8.225 8.380 0.021 0.187 0.550 237 S N -2.282 113.432 115.700 0.023 0.000 2.690 237 S HA 0.166 nan 4.470 nan 0.000 0.291 237 S C -0.868 173.754 174.600 0.036 0.000 1.138 237 S CA -0.731 57.488 58.200 0.032 0.000 1.013 237 S CB 2.445 65.670 63.200 0.042 0.000 1.053 237 S HN -0.658 7.664 8.310 0.020 0.000 0.539 238 A N 1.602 124.449 122.820 0.044 0.000 2.565 238 A HA 0.042 nan 4.320 nan 0.000 0.237 238 A C -1.361 176.274 177.584 0.084 0.000 1.053 238 A CA -1.216 50.849 52.037 0.047 0.000 0.755 238 A CB -0.883 18.142 19.000 0.041 0.000 0.980 238 A HN 0.161 8.336 8.150 0.042 0.000 0.506 239 P HA 0.047 nan 4.420 nan 0.000 0.273 239 P C -1.527 175.920 177.300 0.245 0.000 1.250 239 P CA -0.442 62.702 63.100 0.074 0.000 0.793 239 P CB 0.538 32.213 31.700 -0.043 0.000 1.011 240 Y N -0.346 119.967 120.300 0.020 0.000 2.307 240 Y HA -0.001 nan 4.550 nan 0.000 0.324 240 Y C 0.618 176.603 175.900 0.142 0.000 1.238 240 Y CA -0.346 57.821 58.100 0.112 0.000 1.280 240 Y CB 1.074 39.669 38.460 0.225 0.000 1.248 240 Y HN 0.061 8.491 8.280 0.250 0.000 0.508 241 G N 0.061 108.971 108.800 0.184 0.000 2.507 241 G HA2 0.098 nan 3.960 nan 0.000 0.271 241 G HA3 0.098 nan 3.960 nan 0.000 0.271 241 G C -2.615 172.277 174.900 -0.014 0.000 1.189 241 G CA -0.811 44.338 45.100 0.081 0.000 0.859 241 G HN 0.516 8.860 8.290 0.089 0.000 0.542 242 A N 1.045 123.786 122.820 -0.132 0.000 2.337 242 A HA 0.789 nan 4.320 nan 0.000 0.329 242 A C -1.018 176.461 177.584 -0.175 0.000 1.146 242 A CA -0.893 50.907 52.037 -0.395 0.000 0.800 242 A CB 1.802 20.544 19.000 -0.431 0.000 1.220 242 A HN -0.048 8.065 8.150 -0.062 0.000 0.472 243 R N 2.294 122.716 120.500 -0.131 0.000 2.584 243 R HA 0.210 nan 4.340 nan 0.000 0.276 243 R C -2.029 174.365 176.300 0.157 0.000 1.046 243 R CA -0.814 55.295 56.100 0.015 0.000 0.906 243 R CB 4.172 34.488 30.300 0.027 0.000 1.215 243 R HN 0.088 8.231 8.270 -0.213 0.000 0.449 244 Y N 1.987 122.292 120.300 0.009 0.000 2.477 244 Y HA 0.024 nan 4.550 nan 0.000 0.332 244 Y C -1.211 174.731 175.900 0.071 0.000 1.151 244 Y CA -0.139 58.003 58.100 0.071 0.000 1.349 244 Y CB 0.079 38.575 38.460 0.060 0.000 1.108 244 Y HN -0.192 8.178 8.280 0.149 0.000 0.567 245 V N 4.743 124.585 119.914 -0.120 0.000 2.392 245 V HA -0.255 nan 4.120 nan 0.000 0.249 245 V C 0.587 176.560 176.094 -0.203 0.000 1.059 245 V CA 2.464 64.692 62.300 -0.120 0.000 1.051 245 V CB -0.121 31.643 31.823 -0.099 0.000 0.658 245 V HN 0.630 9.031 8.190 -0.080 -0.259 0.455 246 G N -2.453 106.048 108.800 -0.499 0.000 2.176 246 G HA2 -0.305 nan 3.960 nan 0.000 0.232 246 G HA3 -0.305 nan 3.960 nan 0.000 0.232 246 G C -0.882 173.923 174.900 -0.160 0.000 0.986 246 G CA -0.124 44.764 45.100 -0.353 0.000 0.643 246 G HN -0.341 7.664 8.290 -0.802 -0.197 0.522 247 S N 0.642 116.242 115.700 -0.166 0.000 2.552 247 S HA 0.300 nan 4.470 nan 0.000 0.314 247 S C -0.213 174.289 174.600 -0.164 0.000 1.099 247 S CA -1.744 56.396 58.200 -0.100 0.000 1.070 247 S CB 1.684 64.837 63.200 -0.078 0.000 0.998 247 S HN -0.848 7.346 8.310 -0.212 -0.012 0.474 248 M N 7.132 126.647 119.600 -0.142 0.000 2.073 248 M HA -0.439 nan 4.480 nan 0.000 0.258 248 M C 0.752 176.801 176.300 -0.418 0.000 1.070 248 M CA 4.780 59.901 55.300 -0.299 0.000 1.103 248 M CB -0.015 32.480 32.600 -0.176 0.000 1.321 248 M HN 0.695 8.949 8.290 -0.061 0.000 0.405 249 V N -2.089 117.622 119.914 -0.337 0.000 2.324 249 V HA -0.477 nan 4.120 nan 0.000 0.250 249 V C 1.807 177.680 176.094 -0.368 0.000 1.060 249 V CA 4.005 66.026 62.300 -0.464 0.000 1.042 249 V CB -1.787 29.820 31.823 -0.361 0.000 0.650 249 V HN -0.186 7.861 8.190 -0.237 0.000 0.450 250 A N -1.252 121.428 122.820 -0.233 0.000 1.898 250 A HA -0.290 nan 4.320 nan 0.000 0.216 250 A C 2.140 179.640 177.584 -0.140 0.000 1.181 250 A CA 3.287 55.243 52.037 -0.135 0.000 0.620 250 A CB -0.820 18.121 19.000 -0.099 0.000 0.819 250 A HN -0.429 7.582 8.150 -0.214 0.010 0.442 251 D N -0.686 119.572 120.400 -0.236 0.000 2.097 251 D HA -0.199 nan 4.640 nan 0.000 0.197 251 D C 2.663 178.791 176.300 -0.287 0.000 0.984 251 D CA 3.588 57.453 54.000 -0.225 0.000 0.826 251 D CB -0.060 40.583 40.800 -0.263 0.000 0.973 251 D HN -0.191 7.938 8.370 -0.283 0.071 0.460 252 V N 0.509 120.124 119.914 -0.498 0.000 2.295 252 V HA -0.404 nan 4.120 nan 0.000 0.246 252 V C 1.604 177.583 176.094 -0.193 0.000 1.049 252 V CA 4.742 66.811 62.300 -0.384 0.000 1.024 252 V CB -0.739 30.806 31.823 -0.463 0.000 0.648 252 V HN 0.777 8.474 8.190 -0.635 0.113 0.447 253 H N 0.078 118.987 119.070 -0.268 0.000 2.387 253 H HA -0.362 nan 4.556 nan 0.000 0.299 253 H C 1.857 177.184 175.328 -0.002 0.000 1.099 253 H CA 3.997 60.008 56.048 -0.062 0.000 1.315 253 H CB 0.062 29.820 29.762 -0.008 0.000 1.380 253 H HN 0.063 8.082 8.280 -0.247 0.113 0.513 254 R N -1.915 118.544 120.500 -0.069 0.000 2.092 254 R HA -0.296 nan 4.340 nan 0.000 0.231 254 R C 2.204 178.500 176.300 -0.007 0.000 1.119 254 R CA 3.544 59.616 56.100 -0.047 0.000 0.970 254 R CB -0.159 30.143 30.300 0.004 0.000 0.864 254 R HN -0.338 7.823 8.270 -0.034 0.088 0.440 255 T N 2.955 117.505 114.554 -0.007 0.000 2.708 255 T HA -0.239 nan 4.350 nan 0.000 0.266 255 T C 2.388 177.088 174.700 0.001 0.000 1.037 255 T CA 4.618 66.742 62.100 0.040 0.000 1.146 255 T CB -0.594 68.311 68.868 0.063 0.000 0.865 255 T HN -0.186 7.923 8.240 -0.040 0.107 0.435 256 L N 0.980 122.173 121.223 -0.050 0.000 2.042 256 L HA -0.286 nan 4.340 nan 0.000 0.210 256 L C 1.204 178.024 176.870 -0.084 0.000 1.076 256 L CA 3.304 58.110 54.840 -0.056 0.000 0.749 256 L CB -0.111 41.923 42.059 -0.041 0.000 0.893 256 L HN 0.095 8.281 8.230 -0.072 0.000 0.432 257 V N -2.793 117.031 119.914 -0.151 0.000 2.535 257 V HA -0.195 nan 4.120 nan 0.000 0.246 257 V C 1.625 177.740 176.094 0.036 0.000 1.045 257 V CA 3.238 65.480 62.300 -0.098 0.000 1.058 257 V CB 0.040 31.747 31.823 -0.194 0.000 0.689 257 V HN -0.607 7.440 8.190 -0.239 0.000 0.461 258 Y N -0.709 119.534 120.300 -0.094 0.000 2.507 258 Y HA 0.136 nan 4.550 nan 0.000 0.263 258 Y C -0.491 175.381 175.900 -0.047 0.000 1.093 258 Y CA 0.474 58.537 58.100 -0.062 0.000 1.285 258 Y CB 2.512 40.939 38.460 -0.055 0.000 1.115 258 Y HN 0.160 8.392 8.280 0.098 0.107 0.533 259 G N -3.394 105.370 108.800 -0.060 0.000 2.707 259 G HA2 -0.375 nan 3.960 nan 0.000 0.686 259 G HA3 -0.375 nan 3.960 nan 0.000 0.686 259 G C -1.295 173.586 174.900 -0.031 0.000 1.315 259 G CA -0.530 44.514 45.100 -0.093 0.000 0.832 259 G HN -0.465 7.729 8.290 0.022 0.109 0.573 260 G N -1.111 107.702 108.800 0.022 0.000 2.297 260 G HA2 -0.189 nan 3.960 nan 0.000 0.209 260 G HA3 -0.189 nan 3.960 nan 0.000 0.209 260 G C -2.803 172.214 174.900 0.196 0.000 1.267 260 G CA -0.342 44.827 45.100 0.115 0.000 1.127 260 G HN -0.062 8.240 8.290 0.020 0.000 0.498 261 I N -0.218 120.520 120.570 0.281 0.000 2.802 261 I HA 0.990 nan 4.170 nan 0.000 0.298 261 I C -2.876 173.447 176.117 0.344 0.000 1.176 261 I CA -2.601 58.870 61.300 0.286 0.000 1.025 261 I CB 3.894 42.073 38.000 0.299 0.000 1.243 261 I HN -0.116 8.285 8.210 0.318 0.000 0.424 262 F N 7.698 127.741 119.950 0.155 0.000 2.551 262 F HA 0.827 nan 4.527 nan 0.000 0.316 262 F C -2.711 173.180 175.800 0.152 0.000 1.089 262 F CA -2.109 55.992 58.000 0.168 0.000 0.915 262 F CB 4.346 43.426 39.000 0.134 0.000 1.186 262 F HN 0.647 9.148 8.300 0.335 0.000 0.456 263 M N 4.682 123.840 119.600 -0.738 0.000 2.433 263 M HA 0.463 nan 4.480 nan 0.000 0.290 263 M C -2.536 173.385 176.300 -0.631 0.000 1.173 263 M CA -0.406 54.572 55.300 -0.537 0.000 0.905 263 M CB 4.053 36.496 32.600 -0.261 0.000 1.692 263 M HN 0.685 8.455 8.290 -0.867 0.000 0.462 264 Y N 2.546 122.606 120.300 -0.401 0.000 2.516 264 Y HA 0.416 nan 4.550 nan 0.000 0.329 264 Y C -3.024 172.810 175.900 -0.110 0.000 1.095 264 Y CA -2.472 55.511 58.100 -0.193 0.000 1.213 264 Y CB 1.980 40.396 38.460 -0.073 0.000 1.109 264 Y HN 0.564 8.755 8.280 -0.148 0.000 0.630 265 P HA 0.115 nan 4.420 nan 0.000 0.279 265 P C -1.643 175.710 177.300 0.088 0.000 1.282 265 P CA -0.965 62.137 63.100 0.004 0.000 0.788 265 P CB 0.898 32.531 31.700 -0.112 0.000 1.139 266 A N -1.669 121.192 122.820 0.069 0.000 2.332 266 A HA 0.138 nan 4.320 nan 0.000 0.258 266 A C -1.396 176.230 177.584 0.069 0.000 1.087 266 A CA 0.107 52.187 52.037 0.072 0.000 0.802 266 A CB 0.978 20.006 19.000 0.047 0.000 1.042 266 A HN 0.258 8.436 8.150 0.047 0.000 0.489 267 N N -0.336 118.385 118.700 0.035 0.000 3.449 267 N HA 0.130 nan 4.740 nan 0.000 0.312 267 N C 0.113 175.614 175.510 -0.015 0.000 1.557 267 N CA -0.744 52.313 53.050 0.011 0.000 0.864 267 N CB 0.738 39.194 38.487 -0.052 0.000 1.799 267 N HN -0.322 8.075 8.380 0.028 0.000 0.554 268 K N -1.171 119.214 120.400 -0.024 0.000 2.127 268 K HA -0.330 nan 4.320 nan 0.000 0.208 268 K C 0.692 177.286 176.600 -0.011 0.000 1.047 268 K CA 2.607 58.889 56.287 -0.008 0.000 0.927 268 K CB 0.183 32.685 32.500 0.003 0.000 0.716 268 K HN 0.245 8.480 8.250 -0.025 0.000 0.450 269 K N 0.059 120.434 120.400 -0.043 0.000 2.079 269 K HA -0.110 nan 4.320 nan 0.000 0.255 269 K C -0.744 175.854 176.600 -0.003 0.000 1.114 269 K CA -0.966 55.308 56.287 -0.021 0.000 1.056 269 K CB -2.005 30.459 32.500 -0.060 0.000 1.176 269 K HN -0.114 8.402 8.250 -0.095 -0.323 0.353 270 S N 4.701 120.405 115.700 0.006 0.000 3.285 270 S HA -0.228 nan 4.470 nan 0.000 0.852 270 S C -1.052 173.556 174.600 0.013 0.000 1.066 270 S CA -0.415 57.791 58.200 0.010 0.000 1.184 270 S CB 0.356 63.560 63.200 0.007 0.000 0.953 270 S HN 0.107 8.406 8.310 0.008 0.015 0.299 271 P HA -0.039 nan 4.420 nan 0.000 0.242 271 P C -1.155 176.155 177.300 0.017 0.000 1.197 271 P CA 1.038 64.150 63.100 0.019 0.000 0.765 271 P CB -0.057 31.653 31.700 0.017 0.000 0.936 272 K N -4.518 115.889 120.400 0.012 0.000 2.374 272 K HA 0.047 nan 4.320 nan 0.000 0.196 272 K C 0.184 176.786 176.600 0.004 0.000 1.023 272 K CA -0.418 55.871 56.287 0.005 0.000 1.103 272 K CB 0.422 32.921 32.500 -0.001 0.000 0.848 272 K HN -0.476 7.694 8.250 0.011 0.086 0.528 273 G N -1.125 107.688 108.800 0.021 0.000 2.663 273 G HA2 -0.375 nan 3.960 nan 0.000 0.686 273 G HA3 -0.375 nan 3.960 nan 0.000 0.686 273 G C -2.063 172.813 174.900 -0.040 0.000 1.288 273 G CA -0.442 44.674 45.100 0.027 0.000 0.836 273 G HN -0.599 7.611 8.290 0.028 0.097 0.584 274 K N -0.065 120.226 120.400 -0.181 0.000 2.240 274 K HA 0.068 nan 4.320 nan 0.000 0.202 274 K C 0.511 176.963 176.600 -0.247 0.000 1.053 274 K CA 0.474 56.602 56.287 -0.266 0.000 0.973 274 K CB 1.152 33.342 32.500 -0.518 0.000 0.924 274 K HN 0.226 8.322 8.250 -0.257 0.000 0.477 275 L N -0.181 120.847 121.223 -0.324 0.000 2.499 275 L HA -0.104 nan 4.340 nan 0.000 0.273 275 L C -0.606 176.195 176.870 -0.114 0.000 1.195 275 L CA 0.215 54.953 54.840 -0.171 0.000 0.882 275 L CB -0.165 41.828 42.059 -0.110 0.000 1.133 275 L HN -0.214 7.729 8.230 -0.479 0.000 0.483 276 R N 2.032 122.463 120.500 -0.115 0.000 2.438 276 R HA 0.069 nan 4.340 nan 0.000 0.287 276 R C 0.717 176.838 176.300 -0.298 0.000 1.077 276 R CA 0.562 56.525 56.100 -0.229 0.000 1.034 276 R CB 0.480 30.583 30.300 -0.329 0.000 0.993 276 R HN -0.168 8.376 8.270 -0.066 -0.314 0.459 277 L N 5.944 127.010 121.223 -0.261 0.000 1.988 277 L HA -0.219 nan 4.340 nan 0.000 0.207 277 L C 0.639 177.390 176.870 -0.199 0.000 1.071 277 L CA 3.663 58.394 54.840 -0.181 0.000 0.744 277 L CB 0.086 42.076 42.059 -0.115 0.000 0.893 277 L HN 0.879 8.863 8.230 -0.229 0.109 0.433 278 L N -3.141 117.904 121.223 -0.297 0.000 2.046 278 L HA -0.343 nan 4.340 nan 0.000 0.208 278 L C 1.056 177.881 176.870 -0.074 0.000 1.077 278 L CA 2.937 57.688 54.840 -0.148 0.000 0.747 278 L CB 0.017 42.021 42.059 -0.092 0.000 0.896 278 L HN -0.006 7.998 8.230 -0.376 0.000 0.432 279 Y N -11.442 108.882 120.300 0.041 0.000 2.500 279 Y HA 0.181 nan 4.550 nan 0.000 0.246 279 Y C -0.758 175.156 175.900 0.023 0.000 1.146 279 Y CA -1.950 56.172 58.100 0.037 0.000 1.230 279 Y CB -0.266 38.206 38.460 0.019 0.000 1.214 279 Y HN -0.377 7.201 8.280 -1.170 0.000 0.526 280 E N -0.924 119.275 120.200 -0.002 0.000 2.905 280 E HA 0.095 nan 4.350 nan 0.000 0.197 280 E C 1.488 178.085 176.600 -0.004 0.000 1.016 280 E CA 1.195 57.614 56.400 0.031 0.000 1.307 280 E CB 1.813 31.532 29.700 0.031 0.000 1.255 280 E HN -0.675 7.577 8.360 -0.180 0.000 0.527 281 C N 1.031 120.315 119.300 -0.027 0.000 2.489 281 C HA -0.194 nan 4.460 nan 0.000 0.279 281 C C 1.707 176.711 174.990 0.024 0.000 1.266 281 C CA 4.740 63.762 59.018 0.007 0.000 1.707 281 C CB -1.045 26.693 27.740 -0.003 0.000 2.059 281 C HN 0.262 8.446 8.230 -0.077 0.000 0.481 282 N N 0.199 118.910 118.700 0.017 0.000 2.043 282 N HA -0.211 nan 4.740 nan 0.000 0.193 282 N C -1.001 174.547 175.510 0.065 0.000 1.037 282 N CA 4.892 57.974 53.050 0.054 0.000 0.851 282 N CB -1.651 36.876 38.487 0.066 0.000 1.027 282 N HN 0.037 8.410 8.380 -0.012 0.000 0.422 283 P HA -0.237 nan 4.420 nan 0.000 0.215 283 P C 1.195 178.536 177.300 0.069 0.000 1.153 283 P CA 3.152 66.243 63.100 -0.015 0.000 0.853 283 P CB -0.229 31.424 31.700 -0.078 0.000 0.788 284 M N -3.713 115.918 119.600 0.051 0.000 2.200 284 M HA -0.178 nan 4.480 nan 0.000 0.265 284 M C 2.160 178.508 176.300 0.080 0.000 1.066 284 M CA 1.490 56.823 55.300 0.055 0.000 1.127 284 M CB -1.291 31.299 32.600 -0.017 0.000 1.379 284 M HN -0.798 7.503 8.290 0.026 0.004 0.420 285 A N 0.088 122.957 122.820 0.083 0.000 1.930 285 A HA -0.261 nan 4.320 nan 0.000 0.217 285 A C 1.743 179.373 177.584 0.076 0.000 1.175 285 A CA 3.144 55.225 52.037 0.074 0.000 0.627 285 A CB -1.048 17.994 19.000 0.070 0.000 0.815 285 A HN 0.534 8.730 8.150 0.075 0.000 0.443 286 Y N -0.628 119.674 120.300 0.003 0.000 2.163 286 Y HA -0.459 nan 4.550 nan 0.000 0.288 286 Y C 1.979 177.881 175.900 0.004 0.000 1.136 286 Y CA 4.226 62.325 58.100 -0.002 0.000 1.147 286 Y CB 0.270 38.716 38.460 -0.023 0.000 0.987 286 Y HN 0.128 8.425 8.280 0.222 0.116 0.509 287 V N 0.033 120.068 119.914 0.202 0.000 2.295 287 V HA -0.540 nan 4.120 nan 0.000 0.246 287 V C 2.353 178.467 176.094 0.033 0.000 1.049 287 V CA 4.747 67.124 62.300 0.128 0.000 1.024 287 V CB -0.856 31.070 31.823 0.171 0.000 0.648 287 V HN 0.166 8.502 8.190 0.242 0.000 0.447 288 M N -1.731 117.890 119.600 0.036 0.000 2.065 288 M HA -0.444 nan 4.480 nan 0.000 0.259 288 M C 2.449 178.730 176.300 -0.031 0.000 1.069 288 M CA 2.563 57.871 55.300 0.013 0.000 1.110 288 M CB -1.456 31.162 32.600 0.029 0.000 1.328 288 M HN 0.038 8.366 8.290 0.063 0.000 0.405 289 E N -0.310 119.848 120.200 -0.070 0.000 2.085 289 E HA -0.364 nan 4.350 nan 0.000 0.194 289 E C 3.028 179.547 176.600 -0.136 0.000 0.994 289 E CA 3.125 59.462 56.400 -0.106 0.000 0.801 289 E CB -0.283 29.335 29.700 -0.136 0.000 0.743 289 E HN 0.150 8.473 8.360 -0.062 0.000 0.453 290 K N -1.532 118.746 120.400 -0.204 0.000 2.209 290 K HA -0.218 nan 4.320 nan 0.000 0.204 290 K C 1.551 178.106 176.600 -0.075 0.000 1.048 290 K CA 1.920 58.107 56.287 -0.166 0.000 0.940 290 K CB -0.517 31.872 32.500 -0.186 0.000 0.729 290 K HN -0.011 8.081 8.250 -0.263 0.000 0.451 291 A N -5.320 117.468 122.820 -0.053 0.000 2.251 291 A HA 0.136 nan 4.320 nan 0.000 0.209 291 A C -0.142 177.426 177.584 -0.027 0.000 1.187 291 A CA 0.034 52.054 52.037 -0.028 0.000 0.823 291 A CB 0.014 19.007 19.000 -0.012 0.000 0.846 291 A HN -0.312 7.664 8.150 -0.058 0.138 0.486 292 G N -3.874 104.906 108.800 -0.035 0.000 2.142 292 G HA2 -0.289 nan 3.960 nan 0.000 0.225 292 G HA3 -0.289 nan 3.960 nan 0.000 0.225 292 G C -0.507 174.383 174.900 -0.017 0.000 1.015 292 G CA -0.240 44.844 45.100 -0.026 0.000 0.716 292 G HN -0.143 7.912 8.290 -0.050 0.205 0.508 293 G N -0.693 108.097 108.800 -0.016 0.000 3.175 293 G HA2 0.788 nan 3.960 nan 0.000 0.255 293 G HA3 0.788 nan 3.960 nan 0.000 0.255 293 G C -2.048 172.849 174.900 -0.004 0.000 1.352 293 G CA -1.182 43.917 45.100 -0.002 0.000 1.037 293 G HN -0.118 8.059 8.290 -0.025 0.098 0.556 294 L N -1.416 119.812 121.223 0.008 0.000 2.333 294 L HA 0.343 nan 4.340 nan 0.000 0.263 294 L C -1.874 175.006 176.870 0.016 0.000 1.014 294 L CA -1.033 53.809 54.840 0.003 0.000 0.820 294 L CB 4.019 46.077 42.059 -0.002 0.000 1.352 294 L HN -0.017 8.225 8.230 0.020 0.000 0.421 295 A N -1.001 121.824 122.820 0.009 0.000 2.442 295 A HA 0.609 nan 4.320 nan 0.000 0.284 295 A C -2.089 175.493 177.584 -0.003 0.000 1.058 295 A CA -0.466 51.584 52.037 0.022 0.000 0.738 295 A CB 2.214 21.235 19.000 0.033 0.000 1.242 295 A HN 0.001 8.149 8.150 -0.003 0.000 0.421 296 T N 4.207 118.749 114.554 -0.020 0.000 2.883 296 T HA 0.659 nan 4.350 nan 0.000 0.296 296 T C -0.539 174.113 174.700 -0.081 0.000 1.117 296 T CA -1.839 60.225 62.100 -0.059 0.000 1.006 296 T CB 3.326 72.139 68.868 -0.091 0.000 1.191 296 T HN 0.743 8.868 8.240 -0.010 0.109 0.508 297 T N 0.379 114.864 114.554 -0.114 0.000 3.086 297 T HA 0.427 nan 4.350 nan 0.000 0.250 297 T C 1.141 175.679 174.700 -0.270 0.000 1.074 297 T CA -1.361 60.659 62.100 -0.133 0.000 0.988 297 T CB 0.477 69.283 68.868 -0.103 0.000 0.988 297 T HN 0.635 8.809 8.240 -0.109 0.000 0.530 298 G N 1.939 110.516 108.800 -0.372 0.000 2.349 298 G HA2 -0.311 nan 3.960 nan 0.000 0.213 298 G HA3 -0.311 nan 3.960 nan 0.000 0.213 298 G C -0.193 174.370 174.900 -0.563 0.000 1.044 298 G CA 0.614 45.243 45.100 -0.785 0.000 0.633 298 G HN 0.260 8.314 8.290 -0.262 0.079 0.506 299 K N 0.717 120.916 120.400 -0.334 0.000 2.172 299 K HA 0.010 nan 4.320 nan 0.000 0.203 299 K C 0.181 176.709 176.600 -0.119 0.000 1.040 299 K CA 1.168 57.342 56.287 -0.189 0.000 0.974 299 K CB 1.396 33.817 32.500 -0.132 0.000 0.857 299 K HN -0.339 7.634 8.250 -0.295 0.100 0.464 300 E N -1.960 118.178 120.200 -0.103 0.000 2.339 300 E HA 0.301 nan 4.350 nan 0.000 0.262 300 E C -2.186 174.378 176.600 -0.059 0.000 0.934 300 E CA -2.320 54.041 56.400 -0.065 0.000 0.802 300 E CB 3.061 32.733 29.700 -0.046 0.000 1.275 300 E HN -0.575 7.714 8.360 -0.119 0.000 0.427 301 A N -1.344 121.454 122.820 -0.037 0.000 2.388 301 A HA 0.201 nan 4.320 nan 0.000 0.257 301 A C 1.326 178.902 177.584 -0.013 0.000 1.095 301 A CA -0.287 51.735 52.037 -0.025 0.000 0.791 301 A CB 0.715 19.707 19.000 -0.014 0.000 1.029 301 A HN 0.357 8.489 8.150 -0.030 0.000 0.489 302 V N 3.767 123.678 119.914 -0.004 0.000 2.332 302 V HA -0.392 nan 4.120 nan 0.000 0.248 302 V C 1.887 177.998 176.094 0.028 0.000 1.055 302 V CA 4.045 66.351 62.300 0.009 0.000 1.038 302 V CB -0.515 31.320 31.823 0.020 0.000 0.651 302 V HN 0.029 8.215 8.190 -0.006 0.000 0.450 303 L N -3.723 117.525 121.223 0.041 0.000 2.362 303 L HA -0.318 nan 4.340 nan 0.000 0.219 303 L C 1.122 178.029 176.870 0.061 0.000 1.134 303 L CA 2.362 57.244 54.840 0.070 0.000 0.807 303 L CB -0.850 41.257 42.059 0.079 0.000 0.927 303 L HN -0.039 8.193 8.230 0.031 0.017 0.447 304 D N -2.824 117.596 120.400 0.033 0.000 2.350 304 D HA -0.027 nan 4.640 nan 0.000 0.213 304 D C 0.156 176.465 176.300 0.015 0.000 1.031 304 D CA 0.901 54.915 54.000 0.025 0.000 0.861 304 D CB 0.512 41.320 40.800 0.012 0.000 0.926 304 D HN -0.680 7.532 8.370 0.022 0.171 0.520 305 I N 1.435 122.011 120.570 0.011 0.000 2.618 305 I HA -0.222 nan 4.170 nan 0.000 0.284 305 I C -0.886 175.232 176.117 0.001 0.000 1.146 305 I CA 0.822 62.122 61.300 -0.000 0.000 1.425 305 I CB 0.586 38.582 38.000 -0.007 0.000 1.383 305 I HN -0.808 7.367 8.210 0.016 0.044 0.562 306 V N 7.040 126.949 119.914 -0.008 0.000 2.385 306 V HA 0.140 nan 4.120 nan 0.000 0.269 306 V C -1.352 174.727 176.094 -0.027 0.000 1.043 306 V CA -2.868 59.422 62.300 -0.017 0.000 0.906 306 V CB -0.123 31.689 31.823 -0.018 0.000 0.995 306 V HN 0.204 8.388 8.190 -0.011 0.000 0.467 307 P HA 0.213 nan 4.420 nan 0.000 0.269 307 P C -1.416 175.855 177.300 -0.048 0.000 1.215 307 P CA -0.360 62.712 63.100 -0.047 0.000 0.780 307 P CB 0.794 32.457 31.700 -0.062 0.000 0.898 308 T N -0.108 114.420 114.554 -0.044 0.000 3.009 308 T HA 0.125 nan 4.350 nan 0.000 0.267 308 T C -1.395 173.282 174.700 -0.038 0.000 0.942 308 T CA 0.432 62.509 62.100 -0.037 0.000 0.883 308 T CB 1.169 70.022 68.868 -0.026 0.000 1.192 308 T HN 0.340 8.890 8.240 -0.044 -0.336 0.524 309 D N -0.017 120.355 120.400 -0.047 0.000 2.947 309 D HA 0.297 nan 4.640 nan 0.000 0.224 309 D C 0.141 176.386 176.300 -0.091 0.000 1.230 309 D CA -0.826 53.145 54.000 -0.048 0.000 0.871 309 D CB 2.469 43.258 40.800 -0.018 0.000 1.671 309 D HN -0.752 7.697 8.370 -0.053 -0.111 0.507 310 I N -1.390 119.090 120.570 -0.149 0.000 2.454 310 I HA -0.190 nan 4.170 nan 0.000 0.254 310 I C 0.192 176.088 176.117 -0.369 0.000 1.156 310 I CA 2.102 63.241 61.300 -0.269 0.000 1.433 310 I CB 0.210 38.006 38.000 -0.341 0.000 1.082 310 I HN 0.669 8.804 8.210 -0.125 0.000 0.432 311 H N -2.497 116.588 119.070 0.026 0.000 2.503 311 H HA 0.223 nan 4.556 nan 0.000 0.296 311 H C -0.912 174.394 175.328 -0.037 0.000 1.097 311 H CA -1.250 54.814 56.048 0.026 0.000 1.055 311 H CB -1.356 28.456 29.762 0.083 0.000 1.580 311 H HN -0.518 7.959 8.280 -0.105 -0.260 0.546 312 Q N 1.970 121.763 119.800 -0.013 0.000 2.313 312 Q HA -0.072 nan 4.340 nan 0.000 0.266 312 Q C -1.091 174.873 176.000 -0.059 0.000 0.989 312 Q CA 0.310 56.095 55.803 -0.029 0.000 0.890 312 Q CB 0.789 29.497 28.738 -0.050 0.000 1.200 312 Q HN -0.710 7.434 8.270 -0.070 0.084 0.396 313 R N 3.496 123.973 120.500 -0.038 0.000 2.553 313 R HA 0.784 nan 4.340 nan 0.000 0.263 313 R C -1.010 175.261 176.300 -0.049 0.000 1.066 313 R CA -0.905 55.163 56.100 -0.054 0.000 1.135 313 R CB 2.216 32.492 30.300 -0.040 0.000 1.148 313 R HN 0.267 8.526 8.270 -0.019 0.000 0.558 314 A N 0.169 122.959 122.820 -0.050 0.000 2.577 314 A HA 0.338 nan 4.320 nan 0.000 0.297 314 A C -3.346 174.228 177.584 -0.017 0.000 1.060 314 A CA -1.969 50.049 52.037 -0.032 0.000 0.697 314 A CB 1.383 20.363 19.000 -0.035 0.000 1.281 314 A HN 0.548 8.660 8.150 -0.063 0.000 0.402 315 P HA 0.210 nan 4.420 nan 0.000 0.272 315 P C -1.895 175.413 177.300 0.013 0.000 1.223 315 P CA -0.403 62.709 63.100 0.020 0.000 0.784 315 P CB 0.558 32.254 31.700 -0.007 0.000 0.923 316 I N 0.934 121.530 120.570 0.044 0.000 2.775 316 I HA 0.497 nan 4.170 nan 0.000 0.295 316 I C -2.380 173.763 176.117 0.044 0.000 1.287 316 I CA -1.073 60.258 61.300 0.052 0.000 1.029 316 I CB 3.732 41.800 38.000 0.113 0.000 1.282 316 I HN -0.238 8.018 8.210 0.076 0.000 0.426 317 I N 5.948 126.534 120.570 0.027 0.000 2.534 317 I HA 0.813 nan 4.170 nan 0.000 0.288 317 I C -2.181 173.976 176.117 0.067 0.000 1.077 317 I CA -0.907 60.401 61.300 0.013 0.000 1.051 317 I CB 3.013 40.976 38.000 -0.062 0.000 1.234 317 I HN 0.576 8.797 8.210 0.018 0.000 0.425 318 L N 1.571 122.881 121.223 0.144 0.000 2.479 318 L HA 0.963 nan 4.340 nan 0.000 0.255 318 L C -1.612 175.349 176.870 0.151 0.000 1.026 318 L CA -1.701 53.220 54.840 0.136 0.000 0.842 318 L CB 2.885 45.039 42.059 0.158 0.000 1.444 318 L HN 0.712 9.058 8.230 0.192 0.000 0.409 319 G N -2.570 106.293 108.800 0.104 0.000 2.302 319 G HA2 -0.098 nan 3.960 nan 0.000 0.264 319 G HA3 -0.098 nan 3.960 nan 0.000 0.264 319 G C -1.844 173.097 174.900 0.068 0.000 1.335 319 G CA 0.294 45.456 45.100 0.103 0.000 0.982 319 G HN -0.056 8.279 8.290 0.075 0.000 0.473 320 S N 2.150 117.892 115.700 0.070 0.000 2.552 320 S HA 0.135 nan 4.470 nan 0.000 0.289 320 S C -0.293 174.337 174.600 0.051 0.000 1.304 320 S CA -0.270 57.959 58.200 0.049 0.000 1.063 320 S CB -0.606 62.624 63.200 0.050 0.000 0.848 320 S HN 0.175 8.436 8.310 0.088 0.102 0.499 321 P HA -0.213 nan 4.420 nan 0.000 0.215 321 P C 1.529 178.850 177.300 0.034 0.000 1.157 321 P CA 2.660 65.774 63.100 0.024 0.000 0.874 321 P CB 0.299 32.006 31.700 0.012 0.000 0.790 322 E N -1.972 118.255 120.200 0.045 0.000 2.110 322 E HA -0.383 nan 4.350 nan 0.000 0.193 322 E C 2.493 179.145 176.600 0.087 0.000 0.988 322 E CA 3.406 59.842 56.400 0.059 0.000 0.804 322 E CB -0.572 29.165 29.700 0.063 0.000 0.745 322 E HN -0.019 8.365 8.360 0.041 0.000 0.458 323 D N -0.267 120.205 120.400 0.120 0.000 2.123 323 D HA -0.144 nan 4.640 nan 0.000 0.200 323 D C 2.392 178.729 176.300 0.062 0.000 0.976 323 D CA 3.157 57.263 54.000 0.176 0.000 0.831 323 D CB -0.171 40.797 40.800 0.280 0.000 0.974 323 D HN -0.719 7.701 8.370 0.109 0.016 0.469 324 V N -1.025 118.905 119.914 0.028 0.000 2.515 324 V HA -0.287 nan 4.120 nan 0.000 0.250 324 V C 2.281 178.349 176.094 -0.043 0.000 1.058 324 V CA 3.998 66.276 62.300 -0.036 0.000 1.064 324 V CB -0.948 30.869 31.823 -0.011 0.000 0.675 324 V HN 0.104 8.327 8.190 0.055 0.000 0.461 325 T N -1.927 112.624 114.554 -0.005 0.000 2.904 325 T HA -0.312 nan 4.350 nan 0.000 0.267 325 T C 1.554 176.258 174.700 0.007 0.000 1.059 325 T CA 4.069 66.170 62.100 0.001 0.000 1.137 325 T CB -0.550 68.326 68.868 0.014 0.000 0.879 325 T HN 0.326 8.471 8.240 0.016 0.105 0.467 326 E N 3.073 123.286 120.200 0.022 0.000 2.051 326 E HA -0.332 nan 4.350 nan 0.000 0.192 326 E C 1.655 178.256 176.600 0.001 0.000 0.991 326 E CA 2.909 59.340 56.400 0.052 0.000 0.799 326 E CB -0.063 29.721 29.700 0.140 0.000 0.748 326 E HN -0.453 7.928 8.360 0.034 0.000 0.449 327 L N -0.418 120.705 121.223 -0.167 0.000 2.141 327 L HA -0.228 nan 4.340 nan 0.000 0.209 327 L C 1.711 178.577 176.870 -0.008 0.000 1.094 327 L CA 2.837 57.502 54.840 -0.292 0.000 0.763 327 L CB -0.155 41.480 42.059 -0.708 0.000 0.908 327 L HN -0.591 7.516 8.230 -0.206 0.000 0.437 328 L N -1.853 119.377 121.223 0.011 0.000 2.083 328 L HA -0.508 nan 4.340 nan 0.000 0.209 328 L C 2.199 179.128 176.870 0.099 0.000 1.083 328 L CA 3.299 58.182 54.840 0.072 0.000 0.752 328 L CB -0.605 41.456 42.059 0.003 0.000 0.899 328 L HN -0.177 7.932 8.230 -0.043 0.095 0.433 329 E N -0.341 119.894 120.200 0.058 0.000 2.077 329 E HA -0.367 nan 4.350 nan 0.000 0.193 329 E C 2.535 179.180 176.600 0.076 0.000 0.989 329 E CA 3.234 59.670 56.400 0.059 0.000 0.800 329 E CB -0.207 29.519 29.700 0.043 0.000 0.746 329 E HN -0.464 7.820 8.360 0.034 0.097 0.452 330 I N -0.010 120.593 120.570 0.055 0.000 2.286 330 I HA -0.501 nan 4.170 nan 0.000 0.248 330 I C 1.972 178.109 176.117 0.033 0.000 1.115 330 I CA 4.044 65.368 61.300 0.040 0.000 1.392 330 I CB -0.204 37.762 38.000 -0.057 0.000 1.065 330 I HN -0.515 7.649 8.210 0.038 0.069 0.418 331 Y N -0.627 119.668 120.300 -0.008 0.000 2.274 331 Y HA -0.373 nan 4.550 nan 0.000 0.290 331 Y C 1.701 177.627 175.900 0.043 0.000 1.145 331 Y CA 3.783 61.875 58.100 -0.014 0.000 1.203 331 Y CB -0.423 38.004 38.460 -0.056 0.000 0.984 331 Y HN -0.193 8.083 8.280 0.144 0.090 0.533 332 Q N -1.185 118.728 119.800 0.188 0.000 2.020 332 Q HA -0.282 nan 4.340 nan 0.000 0.198 332 Q C 1.865 177.927 176.000 0.102 0.000 0.974 332 Q CA 2.696 58.571 55.803 0.120 0.000 0.829 332 Q CB -0.068 28.716 28.738 0.077 0.000 0.894 332 Q HN -0.576 7.655 8.270 0.171 0.141 0.433 333 K N 0.784 121.245 120.400 0.102 0.000 2.286 333 K HA -0.316 nan 4.320 nan 0.000 0.203 333 K C 1.452 178.030 176.600 -0.038 0.000 1.045 333 K CA 2.589 58.897 56.287 0.036 0.000 0.935 333 K CB -0.107 32.415 32.500 0.037 0.000 0.737 333 K HN 0.062 8.381 8.250 0.115 0.000 0.460 334 H N -3.789 115.272 119.070 -0.014 0.000 2.542 334 H HA 0.142 nan 4.556 nan 0.000 0.283 334 H C -0.794 174.544 175.328 0.016 0.000 1.059 334 H CA -0.633 55.405 56.048 -0.016 0.000 1.162 334 H CB 0.445 30.173 29.762 -0.056 0.000 1.539 334 H HN -0.459 7.856 8.280 0.294 0.142 0.543 335 A N 0.000 122.895 122.820 0.125 0.000 2.254 335 A HA 0.000 nan 4.320 nan 0.000 0.244 335 A CA 0.000 52.094 52.037 0.096 0.000 0.836 335 A CB 0.000 19.050 19.000 0.083 0.000 0.831 335 A HN 0.000 8.016 8.150 0.101 0.194 0.486