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 1fpd_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 0.040 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 1.980 122.577 120.570 0.046 0.000 2.460 10 I HA 0.300 nan 4.170 nan 0.000 0.298 10 I C -1.859 174.306 176.117 0.080 0.000 0.989 10 I CA -0.665 60.668 61.300 0.055 0.000 1.173 10 I CB 1.390 39.418 38.000 0.048 0.000 1.338 10 I HN -0.492 7.745 8.210 0.046 0.000 0.456 11 V N 5.873 125.850 119.914 0.104 0.000 2.384 11 V HA 0.300 nan 4.120 nan 0.000 0.287 11 V C -0.885 175.331 176.094 0.202 0.000 1.020 11 V CA -1.208 61.188 62.300 0.160 0.000 0.850 11 V CB 1.096 33.038 31.823 0.198 0.000 0.987 11 V HN 0.322 8.565 8.190 0.089 0.000 0.436 12 T N 2.936 117.605 114.554 0.191 0.000 2.927 12 T HA 0.587 nan 4.350 nan 0.000 0.281 12 T C 0.416 175.222 174.700 0.178 0.000 0.998 12 T CA -1.236 60.974 62.100 0.183 0.000 1.019 12 T CB 2.400 71.334 68.868 0.110 0.000 1.061 12 T HN 0.029 8.366 8.240 0.163 0.000 0.518 13 L N 1.380 122.623 121.223 0.033 0.000 2.046 13 L HA -0.251 nan 4.340 nan 0.000 0.208 13 L C 1.128 177.951 176.870 -0.079 0.000 1.077 13 L CA 3.777 58.421 54.840 -0.325 0.000 0.747 13 L CB -0.064 41.697 42.059 -0.496 0.000 0.896 13 L HN 0.338 8.633 8.230 0.108 0.000 0.432 14 T N 0.335 114.886 114.554 -0.005 0.000 2.759 14 T HA -0.401 nan 4.350 nan 0.000 0.269 14 T C 2.336 177.060 174.700 0.041 0.000 1.042 14 T CA 4.610 66.716 62.100 0.011 0.000 1.140 14 T CB -0.696 68.182 68.868 0.017 0.000 0.864 14 T HN 0.118 8.369 8.240 0.018 0.000 0.455 15 R N 1.578 122.127 120.500 0.081 0.000 2.062 15 R HA -0.270 nan 4.340 nan 0.000 0.231 15 R C 1.546 177.914 176.300 0.114 0.000 1.136 15 R CA 3.184 59.337 56.100 0.089 0.000 0.948 15 R CB -0.047 30.319 30.300 0.110 0.000 0.845 15 R HN -0.566 7.760 8.270 0.093 0.000 0.430 16 F N 0.405 120.375 119.950 0.034 0.000 2.043 16 F HA -0.444 nan 4.527 nan 0.000 0.297 16 F C 1.823 177.629 175.800 0.010 0.000 1.121 16 F CA 4.036 62.073 58.000 0.061 0.000 1.199 16 F CB 0.044 39.141 39.000 0.162 0.000 0.968 16 F HN -0.311 8.185 8.300 0.326 0.000 0.478 17 V N -1.540 118.454 119.914 0.134 0.000 2.469 17 V HA -0.517 nan 4.120 nan 0.000 0.251 17 V C 2.055 178.101 176.094 -0.081 0.000 1.064 17 V CA 4.424 66.724 62.300 -0.001 0.000 1.066 17 V CB -0.881 30.941 31.823 -0.001 0.000 0.667 17 V HN 0.319 8.656 8.190 0.245 0.000 0.461 18 M N -0.385 119.183 119.600 -0.053 0.000 2.160 18 M HA -0.284 nan 4.480 nan 0.000 0.264 18 M C 1.658 177.912 176.300 -0.078 0.000 1.073 18 M CA 2.659 57.927 55.300 -0.052 0.000 1.142 18 M CB -0.318 32.268 32.600 -0.024 0.000 1.358 18 M HN -0.709 7.455 8.290 -0.016 0.117 0.422 19 E N -0.320 119.821 120.200 -0.098 0.000 2.118 19 E HA -0.444 nan 4.350 nan 0.000 0.195 19 E C 2.667 179.171 176.600 -0.160 0.000 0.992 19 E CA 3.295 59.627 56.400 -0.112 0.000 0.804 19 E CB -0.337 29.299 29.700 -0.107 0.000 0.741 19 E HN 0.041 8.353 8.360 -0.080 0.000 0.458 20 Q N -2.191 117.453 119.800 -0.260 0.000 2.167 20 Q HA -0.175 nan 4.340 nan 0.000 0.202 20 Q C 3.002 178.922 176.000 -0.134 0.000 0.970 20 Q CA 2.493 58.143 55.803 -0.254 0.000 0.855 20 Q CB -0.483 28.014 28.738 -0.400 0.000 0.911 20 Q HN 0.090 8.158 8.270 -0.322 0.009 0.438 21 G N -0.969 107.768 108.800 -0.106 0.000 2.422 21 G HA2 -0.316 nan 3.960 nan 0.000 0.218 21 G HA3 -0.316 nan 3.960 nan 0.000 0.218 21 G C 1.085 175.959 174.900 -0.043 0.000 1.140 21 G CA 1.592 46.656 45.100 -0.060 0.000 0.775 21 G HN -0.026 8.092 8.290 -0.118 0.100 0.545 22 R N 0.922 121.391 120.500 -0.051 0.000 2.119 22 R HA -0.158 nan 4.340 nan 0.000 0.222 22 R C 3.278 179.557 176.300 -0.035 0.000 1.088 22 R CA 3.159 59.237 56.100 -0.037 0.000 0.984 22 R CB -0.022 30.256 30.300 -0.036 0.000 0.884 22 R HN -0.067 8.069 8.270 -0.067 0.093 0.447 23 K N 0.020 120.391 120.400 -0.050 0.000 2.155 23 K HA -0.197 nan 4.320 nan 0.000 0.203 23 K C 1.135 177.719 176.600 -0.026 0.000 1.052 23 K CA 2.525 58.788 56.287 -0.040 0.000 0.948 23 K CB -0.031 32.436 32.500 -0.055 0.000 0.728 23 K HN 0.072 8.194 8.250 -0.070 0.086 0.448 24 A N -3.374 119.430 122.820 -0.026 0.000 2.275 24 A HA 0.060 nan 4.320 nan 0.000 0.212 24 A C -0.953 176.632 177.584 0.001 0.000 1.201 24 A CA -0.484 51.548 52.037 -0.008 0.000 0.843 24 A CB 0.159 19.157 19.000 -0.004 0.000 0.873 24 A HN -0.521 7.592 8.150 -0.039 0.014 0.492 25 R N -3.270 117.228 120.500 -0.004 0.000 3.322 25 R HA -0.355 nan 4.340 nan 0.000 0.253 25 R C 0.263 176.569 176.300 0.010 0.000 0.987 25 R CA -0.138 55.963 56.100 0.001 0.000 0.666 25 R CB -2.233 28.069 30.300 0.003 0.000 1.072 25 R HN -0.433 7.636 8.270 -0.012 0.194 0.447 26 G N -1.479 107.328 108.800 0.011 0.000 2.599 26 G HA2 0.003 nan 3.960 nan 0.000 0.264 26 G HA3 0.003 nan 3.960 nan 0.000 0.264 26 G C 0.565 175.480 174.900 0.025 0.000 1.200 26 G CA -0.255 44.862 45.100 0.028 0.000 0.896 26 G HN -0.338 7.953 8.290 0.001 0.000 0.536 27 T N -4.080 110.496 114.554 0.038 0.000 3.113 27 T HA 0.004 nan 4.350 nan 0.000 0.256 27 T C 1.327 176.042 174.700 0.027 0.000 1.131 27 T CA 0.226 62.344 62.100 0.029 0.000 1.074 27 T CB -0.319 68.570 68.868 0.035 0.000 0.944 27 T HN 0.377 8.651 8.240 0.056 0.000 0.516 28 G N 1.455 110.273 108.800 0.030 0.000 2.159 28 G HA2 -0.292 nan 3.960 nan 0.000 0.227 28 G HA3 -0.292 nan 3.960 nan 0.000 0.227 28 G C 0.220 175.140 174.900 0.034 0.000 0.986 28 G CA -0.065 45.046 45.100 0.018 0.000 0.651 28 G HN -0.193 8.069 8.290 0.037 0.050 0.523 29 E N 0.610 120.854 120.200 0.074 0.000 2.076 29 E HA -0.211 nan 4.350 nan 0.000 0.190 29 E C 0.942 177.595 176.600 0.087 0.000 0.979 29 E CA 2.283 58.755 56.400 0.121 0.000 0.807 29 E CB -0.015 29.801 29.700 0.192 0.000 0.761 29 E HN -0.351 8.012 8.360 0.085 0.048 0.454 30 M N -1.251 118.377 119.600 0.046 0.000 2.319 30 M HA -0.137 nan 4.480 nan 0.000 0.265 30 M C 1.186 177.399 176.300 -0.145 0.000 1.068 30 M CA 3.583 58.762 55.300 -0.201 0.000 1.118 30 M CB -0.347 32.093 32.600 -0.267 0.000 1.395 30 M HN 0.178 8.540 8.290 0.121 0.000 0.435 31 T N 1.100 115.612 114.554 -0.069 0.000 2.821 31 T HA -0.258 nan 4.350 nan 0.000 0.267 31 T C 2.139 176.802 174.700 -0.062 0.000 1.046 31 T CA 4.273 66.334 62.100 -0.065 0.000 1.139 31 T CB -0.823 68.021 68.868 -0.041 0.000 0.871 31 T HN -0.082 8.128 8.240 -0.032 0.011 0.454 32 Q N 1.225 121.003 119.800 -0.036 0.000 2.172 32 Q HA -0.166 nan 4.340 nan 0.000 0.200 32 Q C 1.985 177.954 176.000 -0.052 0.000 0.964 32 Q CA 2.533 58.323 55.803 -0.022 0.000 0.855 32 Q CB -0.463 28.290 28.738 0.024 0.000 0.918 32 Q HN -0.481 7.692 8.270 -0.017 0.086 0.444 33 L N 0.640 121.811 121.223 -0.087 0.000 2.044 33 L HA -0.214 nan 4.340 nan 0.000 0.205 33 L C 1.437 178.190 176.870 -0.196 0.000 1.075 33 L CA 3.001 57.757 54.840 -0.140 0.000 0.747 33 L CB -0.343 41.595 42.059 -0.201 0.000 0.903 33 L HN -0.491 7.581 8.230 -0.083 0.108 0.435 34 L N -2.103 119.000 121.223 -0.200 0.000 2.083 34 L HA -0.546 nan 4.340 nan 0.000 0.209 34 L C 2.078 178.831 176.870 -0.195 0.000 1.083 34 L CA 3.591 58.297 54.840 -0.223 0.000 0.752 34 L CB -0.875 41.080 42.059 -0.174 0.000 0.899 34 L HN 0.118 8.237 8.230 -0.184 0.000 0.433 35 N N -0.679 117.941 118.700 -0.134 0.000 2.188 35 N HA -0.323 nan 4.740 nan 0.000 0.184 35 N C 2.477 177.929 175.510 -0.097 0.000 1.018 35 N CA 3.394 56.386 53.050 -0.096 0.000 0.858 35 N CB -0.059 38.392 38.487 -0.059 0.000 0.989 35 N HN -0.223 8.070 8.380 -0.118 0.016 0.426 36 S N 1.875 117.508 115.700 -0.110 0.000 2.383 36 S HA -0.332 nan 4.470 nan 0.000 0.227 36 S C 1.747 176.251 174.600 -0.160 0.000 1.026 36 S CA 3.616 61.748 58.200 -0.113 0.000 0.981 36 S CB -0.004 63.127 63.200 -0.115 0.000 0.818 36 S HN -0.481 7.690 8.310 -0.110 0.073 0.472 37 L N 1.656 122.737 121.223 -0.237 0.000 2.017 37 L HA -0.376 nan 4.340 nan 0.000 0.208 37 L C 1.416 178.154 176.870 -0.219 0.000 1.073 37 L CA 3.220 57.864 54.840 -0.327 0.000 0.745 37 L CB -0.202 41.518 42.059 -0.565 0.000 0.894 37 L HN -0.175 7.834 8.230 -0.245 0.074 0.432 38 C N -0.836 118.358 119.300 -0.176 0.000 2.385 38 C HA -0.558 nan 4.460 nan 0.000 0.275 38 C C 2.057 177.105 174.990 0.097 0.000 1.207 38 C CA 4.462 63.465 59.018 -0.025 0.000 1.760 38 C CB -1.644 26.095 27.740 -0.001 0.000 2.051 38 C HN 0.080 8.184 8.230 -0.210 0.000 0.467 39 T N 1.555 116.116 114.554 0.011 0.000 2.746 39 T HA -0.378 nan 4.350 nan 0.000 0.267 39 T C 1.900 176.597 174.700 -0.005 0.000 1.039 39 T CA 5.167 67.271 62.100 0.006 0.000 1.142 39 T CB -0.420 68.433 68.868 -0.025 0.000 0.866 39 T HN -0.368 7.852 8.240 -0.035 0.000 0.444 40 A N 0.975 123.769 122.820 -0.043 0.000 1.898 40 A HA -0.170 nan 4.320 nan 0.000 0.216 40 A C 1.787 179.377 177.584 0.009 0.000 1.181 40 A CA 3.184 55.191 52.037 -0.051 0.000 0.620 40 A CB -0.797 18.132 19.000 -0.118 0.000 0.819 40 A HN -0.074 7.948 8.150 -0.078 0.082 0.442 41 V N -0.827 119.124 119.914 0.062 0.000 2.490 41 V HA -0.485 nan 4.120 nan 0.000 0.250 41 V C 2.292 178.516 176.094 0.217 0.000 1.061 41 V CA 4.642 67.061 62.300 0.198 0.000 1.064 41 V CB -1.079 30.887 31.823 0.239 0.000 0.670 41 V HN 0.318 8.520 8.190 0.021 0.000 0.461 42 K N -1.001 119.493 120.400 0.157 0.000 2.155 42 K HA -0.286 nan 4.320 nan 0.000 0.203 42 K C 2.034 178.623 176.600 -0.019 0.000 1.052 42 K CA 3.475 59.787 56.287 0.043 0.000 0.948 42 K CB -0.279 32.207 32.500 -0.023 0.000 0.728 42 K HN -0.245 8.005 8.250 0.160 0.096 0.448 43 A N -0.208 122.601 122.820 -0.019 0.000 1.929 43 A HA -0.149 nan 4.320 nan 0.000 0.216 43 A C 2.241 179.777 177.584 -0.079 0.000 1.176 43 A CA 2.917 54.926 52.037 -0.047 0.000 0.628 43 A CB -0.720 18.256 19.000 -0.040 0.000 0.816 43 A HN -0.498 7.548 8.150 0.004 0.106 0.444 44 I N -1.948 118.570 120.570 -0.088 0.000 2.202 44 I HA -0.552 nan 4.170 nan 0.000 0.242 44 I C 1.686 177.576 176.117 -0.379 0.000 1.091 44 I CA 3.939 65.129 61.300 -0.184 0.000 1.368 44 I CB -0.281 37.647 38.000 -0.121 0.000 1.058 44 I HN 0.152 8.339 8.210 -0.037 0.000 0.410 45 S N -0.750 114.715 115.700 -0.392 0.000 2.365 45 S HA -0.411 nan 4.470 nan 0.000 0.225 45 S C 2.017 176.482 174.600 -0.224 0.000 1.039 45 S CA 4.137 62.094 58.200 -0.405 0.000 1.033 45 S CB -0.324 62.832 63.200 -0.075 0.000 0.887 45 S HN 0.003 8.194 8.310 -0.198 0.000 0.447 46 T N 2.936 117.406 114.554 -0.140 0.000 2.746 46 T HA -0.269 nan 4.350 nan 0.000 0.267 46 T C 1.426 176.074 174.700 -0.087 0.000 1.039 46 T CA 4.801 66.846 62.100 -0.092 0.000 1.142 46 T CB -0.538 68.288 68.868 -0.069 0.000 0.866 46 T HN -0.459 7.706 8.240 -0.125 0.000 0.444 47 A N 0.647 123.403 122.820 -0.106 0.000 2.014 47 A HA 0.001 nan 4.320 nan 0.000 0.218 47 A C 1.604 179.137 177.584 -0.085 0.000 1.163 47 A CA 2.708 54.697 52.037 -0.080 0.000 0.652 47 A CB -0.729 18.226 19.000 -0.076 0.000 0.808 47 A HN -0.571 7.420 8.150 -0.128 0.081 0.449 48 V N -2.224 117.600 119.914 -0.149 0.000 2.379 48 V HA -0.301 nan 4.120 nan 0.000 0.245 48 V C 2.201 178.259 176.094 -0.060 0.000 1.044 48 V CA 2.721 64.945 62.300 -0.126 0.000 1.036 48 V CB -0.400 31.268 31.823 -0.258 0.000 0.664 48 V HN -0.117 7.835 8.190 -0.221 0.106 0.453 49 R N -3.290 117.172 120.500 -0.062 0.000 2.323 49 R HA -0.053 nan 4.340 nan 0.000 0.198 49 R C -0.464 175.828 176.300 -0.013 0.000 0.988 49 R CA -0.275 55.810 56.100 -0.024 0.000 1.041 49 R CB 0.090 30.378 30.300 -0.020 0.000 0.926 49 R HN -0.542 7.670 8.270 -0.097 0.000 0.476 50 K N -5.771 114.622 120.400 -0.012 0.000 3.230 50 K HA -0.264 nan 4.320 nan 0.000 0.285 50 K C -0.765 175.845 176.600 0.017 0.000 1.196 50 K CA -0.090 56.202 56.287 0.009 0.000 0.838 50 K CB -2.985 29.528 32.500 0.022 0.000 1.262 50 K HN -0.686 7.340 8.250 -0.027 0.208 0.492 51 A N -0.326 122.496 122.820 0.004 0.000 2.548 51 A HA -0.043 nan 4.320 nan 0.000 0.247 51 A C 0.698 178.304 177.584 0.036 0.000 1.067 51 A CA 2.016 54.060 52.037 0.013 0.000 0.757 51 A CB -0.375 18.622 19.000 -0.004 0.000 0.996 51 A HN -0.668 7.475 8.150 -0.012 0.000 0.504 52 G N 2.476 111.318 108.800 0.070 0.000 2.175 52 G HA2 -0.376 nan 3.960 nan 0.000 0.244 52 G HA3 -0.376 nan 3.960 nan 0.000 0.244 52 G C 1.072 176.066 174.900 0.156 0.000 0.982 52 G CA -0.174 45.005 45.100 0.132 0.000 0.641 52 G HN 0.060 8.388 8.290 0.063 0.000 0.527 53 I N 2.199 122.840 120.570 0.118 0.000 2.335 53 I HA -0.380 nan 4.170 nan 0.000 0.251 53 I C 0.658 176.906 176.117 0.218 0.000 1.129 53 I CA 2.115 63.515 61.300 0.167 0.000 1.402 53 I CB -0.355 37.738 38.000 0.155 0.000 1.069 53 I HN -0.182 8.025 8.210 0.084 0.054 0.424 54 A N -0.380 122.509 122.820 0.115 0.000 1.986 54 A HA -0.411 nan 4.320 nan 0.000 0.220 54 A C 1.847 179.431 177.584 -0.001 0.000 1.171 54 A CA 3.076 55.139 52.037 0.043 0.000 0.640 54 A CB -1.195 17.769 19.000 -0.060 0.000 0.811 54 A HN 0.350 8.521 8.150 0.089 0.032 0.451 55 H N -2.005 117.114 119.070 0.080 0.000 2.457 55 H HA -0.178 nan 4.556 nan 0.000 0.294 55 H C 2.872 178.219 175.328 0.031 0.000 1.064 55 H CA 4.054 60.130 56.048 0.047 0.000 1.330 55 H CB -0.033 29.742 29.762 0.022 0.000 1.395 55 H HN -0.295 7.947 8.280 0.181 0.148 0.541 56 L N -0.484 120.812 121.223 0.120 0.000 2.217 56 L HA -0.243 nan 4.340 nan 0.000 0.211 56 L C 0.731 177.493 176.870 -0.181 0.000 1.107 56 L CA 2.310 57.125 54.840 -0.042 0.000 0.783 56 L CB 0.142 42.141 42.059 -0.101 0.000 0.919 56 L HN -0.148 8.048 8.230 0.173 0.138 0.442 57 Y N -2.059 118.238 120.300 -0.005 0.000 2.470 57 Y HA -0.004 nan 4.550 nan 0.000 0.302 57 Y C 0.307 176.190 175.900 -0.028 0.000 1.194 57 Y CA -0.074 58.016 58.100 -0.017 0.000 1.271 57 Y CB -0.767 37.680 38.460 -0.022 0.000 1.092 57 Y HN -0.720 7.582 8.280 0.262 0.136 0.513 58 G N -1.326 107.499 108.800 0.042 0.000 2.136 58 G HA2 -0.486 nan 3.960 nan 0.000 0.242 58 G HA3 -0.486 nan 3.960 nan 0.000 0.242 58 G C 0.903 175.794 174.900 -0.014 0.000 0.989 58 G CA 0.163 45.271 45.100 0.014 0.000 0.682 58 G HN -0.485 7.735 8.290 0.022 0.083 0.522 59 I N -0.380 120.151 120.570 -0.065 0.000 2.502 59 I HA -0.328 nan 4.170 nan 0.000 0.258 59 I C -0.524 175.529 176.117 -0.108 0.000 1.172 59 I CA 2.602 63.829 61.300 -0.121 0.000 1.430 59 I CB -0.030 37.829 38.000 -0.235 0.000 1.086 59 I HN -0.401 7.774 8.210 -0.059 0.000 0.440 60 A N -2.735 120.041 122.820 -0.074 0.000 2.605 60 A HA 0.181 nan 4.320 nan 0.000 0.292 60 A C -0.617 176.980 177.584 0.022 0.000 1.055 60 A CA -0.635 51.400 52.037 -0.004 0.000 0.969 60 A CB 0.388 19.428 19.000 0.067 0.000 1.236 60 A HN -0.164 7.892 8.150 -0.062 0.056 0.534 73 L N 2.089 123.318 121.223 0.011 0.000 2.085 73 L HA -0.348 nan 4.340 nan 0.000 0.218 73 L C 0.673 177.555 176.870 0.020 0.000 1.080 73 L CA 2.752 57.598 54.840 0.011 0.000 0.776 73 L CB -0.935 41.132 42.059 0.013 0.000 0.891 73 L HN 0.068 8.305 8.230 0.012 0.000 0.437 74 D N -3.557 116.860 120.400 0.028 0.000 2.117 74 D HA -0.278 nan 4.640 nan 0.000 0.197 74 D C 2.549 178.870 176.300 0.034 0.000 0.987 74 D CA 3.230 57.252 54.000 0.037 0.000 0.829 74 D CB -1.152 39.666 40.800 0.031 0.000 0.961 74 D HN 0.407 8.787 8.370 0.025 0.005 0.460 75 V N 1.026 120.953 119.914 0.022 0.000 2.358 75 V HA -0.251 nan 4.120 nan 0.000 0.246 75 V C 2.228 178.335 176.094 0.021 0.000 1.047 75 V CA 3.403 65.715 62.300 0.020 0.000 1.035 75 V CB -0.695 31.134 31.823 0.010 0.000 0.658 75 V HN -0.166 7.950 8.190 0.018 0.084 0.452 76 L N -1.141 120.090 121.223 0.014 0.000 2.046 76 L HA -0.355 nan 4.340 nan 0.000 0.208 76 L C 1.725 178.602 176.870 0.012 0.000 1.077 76 L CA 3.423 58.266 54.840 0.005 0.000 0.747 76 L CB -0.561 41.495 42.059 -0.005 0.000 0.896 76 L HN 0.223 8.357 8.230 0.012 0.104 0.432 77 S N -0.209 115.506 115.700 0.025 0.000 2.356 77 S HA -0.439 nan 4.470 nan 0.000 0.223 77 S C 1.940 176.584 174.600 0.073 0.000 1.032 77 S CA 4.660 62.887 58.200 0.044 0.000 1.005 77 S CB -0.635 62.608 63.200 0.071 0.000 0.867 77 S HN 0.062 8.387 8.310 0.026 0.000 0.449 78 N N 0.919 119.678 118.700 0.097 0.000 2.043 78 N HA -0.310 nan 4.740 nan 0.000 0.193 78 N C 1.791 177.365 175.510 0.106 0.000 1.037 78 N CA 3.153 56.297 53.050 0.156 0.000 0.851 78 N CB -0.141 38.413 38.487 0.112 0.000 1.027 78 N HN -0.499 7.926 8.380 0.076 0.000 0.422 79 D N 0.236 120.667 120.400 0.053 0.000 2.123 79 D HA -0.311 nan 4.640 nan 0.000 0.196 79 D C 2.683 178.980 176.300 -0.006 0.000 0.992 79 D CA 3.372 57.385 54.000 0.023 0.000 0.833 79 D CB -0.342 40.463 40.800 0.009 0.000 0.954 79 D HN -0.315 8.082 8.370 0.045 0.000 0.455 80 L N -0.525 120.690 121.223 -0.015 0.000 1.994 80 L HA -0.404 nan 4.340 nan 0.000 0.208 80 L C 2.099 178.916 176.870 -0.088 0.000 1.071 80 L CA 3.357 58.171 54.840 -0.044 0.000 0.745 80 L CB -0.082 41.954 42.059 -0.038 0.000 0.892 80 L HN -0.115 8.115 8.230 -0.001 0.000 0.431 81 V N -0.571 119.272 119.914 -0.119 0.000 2.332 81 V HA -0.491 nan 4.120 nan 0.000 0.248 81 V C 2.273 178.188 176.094 -0.298 0.000 1.055 81 V CA 4.399 66.523 62.300 -0.293 0.000 1.038 81 V CB -0.816 30.677 31.823 -0.549 0.000 0.651 81 V HN -0.241 7.913 8.190 -0.061 0.000 0.450 82 I N -1.025 119.461 120.570 -0.141 0.000 2.226 82 I HA -0.635 nan 4.170 nan 0.000 0.245 82 I C 1.835 177.906 176.117 -0.078 0.000 1.100 82 I CA 4.450 65.716 61.300 -0.056 0.000 1.374 82 I CB -0.487 37.556 38.000 0.070 0.000 1.057 82 I HN 0.187 8.362 8.210 -0.058 0.000 0.413 83 N N -0.055 118.602 118.700 -0.072 0.000 2.300 83 N HA -0.175 nan 4.740 nan 0.000 0.179 83 N C 2.408 177.859 175.510 -0.098 0.000 1.016 83 N CA 3.735 56.740 53.050 -0.076 0.000 0.876 83 N CB 0.257 38.712 38.487 -0.054 0.000 0.979 83 N HN -0.383 7.959 8.380 -0.063 0.000 0.432 84 V N 1.414 121.264 119.914 -0.107 0.000 2.379 84 V HA -0.324 nan 4.120 nan 0.000 0.245 84 V C 1.793 177.809 176.094 -0.131 0.000 1.044 84 V CA 4.262 66.497 62.300 -0.108 0.000 1.036 84 V CB -0.746 31.011 31.823 -0.111 0.000 0.664 84 V HN -0.115 8.009 8.190 -0.111 0.000 0.453 85 L N -2.148 118.975 121.223 -0.166 0.000 2.017 85 L HA -0.481 nan 4.340 nan 0.000 0.208 85 L C 2.241 179.026 176.870 -0.141 0.000 1.073 85 L CA 3.182 57.922 54.840 -0.166 0.000 0.745 85 L CB -0.547 41.388 42.059 -0.208 0.000 0.894 85 L HN -0.180 7.937 8.230 -0.189 0.000 0.432 86 K N -1.111 119.201 120.400 -0.147 0.000 2.152 86 K HA -0.337 nan 4.320 nan 0.000 0.206 86 K C 2.846 179.245 176.600 -0.334 0.000 1.048 86 K CA 3.330 59.499 56.287 -0.197 0.000 0.933 86 K CB -0.361 32.041 32.500 -0.164 0.000 0.721 86 K HN 0.044 8.215 8.250 -0.132 0.000 0.447 87 S N -0.973 114.579 115.700 -0.246 0.000 2.607 87 S HA -0.053 nan 4.470 nan 0.000 0.224 87 S C 0.388 174.928 174.600 -0.100 0.000 0.969 87 S CA 2.244 60.304 58.200 -0.234 0.000 0.927 87 S CB -0.505 62.649 63.200 -0.076 0.000 0.772 87 S HN -0.362 7.712 8.310 -0.172 0.134 0.533 88 S N 0.407 116.049 115.700 -0.098 0.000 2.478 88 S HA -0.083 nan 4.470 nan 0.000 0.222 88 S C 0.143 174.864 174.600 0.201 0.000 1.008 88 S CA 1.135 59.365 58.200 0.050 0.000 0.928 88 S CB 0.858 64.053 63.200 -0.009 0.000 0.781 88 S HN -0.275 7.744 8.310 -0.157 0.197 0.518 89 F N -2.086 117.865 119.950 0.003 0.000 3.034 89 F HA -0.378 nan 4.527 nan 0.000 0.286 89 F C -0.589 175.233 175.800 0.037 0.000 0.804 89 F CA 0.471 58.480 58.000 0.015 0.000 1.161 89 F CB -1.800 37.205 39.000 0.009 0.000 1.317 89 F HN -0.570 7.521 8.300 -0.298 0.030 0.453 90 A N -3.951 118.957 122.820 0.146 0.000 2.431 90 A HA 0.254 nan 4.320 nan 0.000 0.239 90 A C -1.760 175.944 177.584 0.199 0.000 1.230 90 A CA 0.189 52.340 52.037 0.190 0.000 0.928 90 A CB 1.559 20.670 19.000 0.185 0.000 1.006 90 A HN -0.396 7.754 8.150 0.078 0.047 0.520 91 T N -5.402 109.214 114.554 0.103 0.000 2.924 91 T HA 0.708 nan 4.350 nan 0.000 0.291 91 T C 0.322 175.055 174.700 0.056 0.000 1.045 91 T CA -2.174 59.987 62.100 0.101 0.000 1.015 91 T CB 2.825 71.735 68.868 0.070 0.000 1.103 91 T HN -0.440 7.828 8.240 0.047 0.000 0.496 92 C N -1.539 117.798 119.300 0.061 0.000 3.276 92 C HA 0.581 nan 4.460 nan 0.000 0.512 92 C C -1.115 173.901 174.990 0.043 0.000 1.376 92 C CA -0.128 58.911 59.018 0.036 0.000 2.319 92 C CB 1.884 29.637 27.740 0.021 0.000 3.330 92 C HN 0.754 9.036 8.230 0.088 0.000 0.596 93 V N 1.287 121.243 119.914 0.069 0.000 2.638 93 V HA 0.711 nan 4.120 nan 0.000 0.306 93 V C -2.553 173.613 176.094 0.120 0.000 1.052 93 V CA -0.331 62.014 62.300 0.076 0.000 0.885 93 V CB 2.581 34.440 31.823 0.060 0.000 0.999 93 V HN -0.839 7.404 8.190 0.088 0.000 0.424 94 L N 5.959 127.257 121.223 0.126 0.000 2.362 94 L HA 0.798 nan 4.340 nan 0.000 0.275 94 L C -1.664 175.286 176.870 0.133 0.000 0.998 94 L CA -0.988 53.975 54.840 0.206 0.000 0.820 94 L CB 3.094 45.311 42.059 0.264 0.000 1.270 94 L HN 0.828 9.007 8.230 0.095 0.108 0.415 95 V N 5.149 125.121 119.914 0.097 0.000 2.409 95 V HA 0.460 nan 4.120 nan 0.000 0.291 95 V C -1.424 174.401 176.094 -0.449 0.000 1.020 95 V CA -0.624 61.635 62.300 -0.069 0.000 0.848 95 V CB 2.475 34.317 31.823 0.031 0.000 0.990 95 V HN 0.656 8.967 8.190 0.201 0.000 0.430 96 T N 7.959 122.185 114.554 -0.547 0.000 2.863 96 T HA 0.449 nan 4.350 nan 0.000 0.285 96 T C 0.079 174.381 174.700 -0.663 0.000 1.009 96 T CA -0.883 60.635 62.100 -0.970 0.000 0.989 96 T CB 2.428 70.872 68.868 -0.706 0.000 1.004 96 T HN 0.221 8.299 8.240 -0.269 0.000 0.455 97 E N 5.215 124.827 120.200 -0.980 0.000 2.118 97 E HA -0.369 nan 4.350 nan 0.000 0.195 97 E C 0.214 176.637 176.600 -0.295 0.000 0.992 97 E CA 3.152 59.147 56.400 -0.675 0.000 0.804 97 E CB 0.039 29.407 29.700 -0.554 0.000 0.741 97 E HN 0.045 7.705 8.360 -1.167 0.000 0.458 98 E N -4.185 115.862 120.200 -0.254 0.000 2.418 98 E HA -0.063 nan 4.350 nan 0.000 0.197 98 E C -0.488 176.048 176.600 -0.106 0.000 1.026 98 E CA 0.826 57.142 56.400 -0.139 0.000 0.862 98 E CB -0.092 29.558 29.700 -0.082 0.000 0.799 98 E HN 0.177 8.331 8.360 -0.325 0.011 0.518 99 D N 0.280 120.620 120.400 -0.100 0.000 2.391 99 D HA 0.244 nan 4.640 nan 0.000 0.245 99 D C -0.662 175.662 176.300 0.040 0.000 1.069 99 D CA -0.775 53.207 54.000 -0.031 0.000 0.831 99 D CB 2.065 42.857 40.800 -0.012 0.000 1.204 99 D HN -0.588 7.527 8.370 -0.139 0.171 0.503 100 K N 3.732 124.142 120.400 0.017 0.000 2.020 100 K HA -0.398 nan 4.320 nan 0.000 0.212 100 K C -0.039 176.677 176.600 0.193 0.000 1.050 100 K CA 2.953 59.276 56.287 0.061 0.000 0.929 100 K CB 0.436 32.947 32.500 0.019 0.000 0.714 100 K HN 0.422 8.666 8.250 -0.010 0.000 0.443 101 N N -3.302 115.460 118.700 0.104 0.000 2.456 101 N HA 0.076 nan 4.740 nan 0.000 0.296 101 N C -1.220 174.323 175.510 0.056 0.000 1.102 101 N CA -0.699 52.398 53.050 0.078 0.000 0.924 101 N CB 0.974 39.488 38.487 0.045 0.000 1.186 101 N HN -0.499 7.920 8.380 0.064 0.000 0.492 102 A N 1.010 123.848 122.820 0.030 0.000 2.466 102 A HA 0.094 nan 4.320 nan 0.000 0.238 102 A C -0.018 177.583 177.584 0.029 0.000 1.074 102 A CA 0.394 52.442 52.037 0.018 0.000 0.774 102 A CB 0.655 19.659 19.000 0.007 0.000 1.015 102 A HN -0.198 8.197 8.150 0.023 -0.232 0.498 103 I N 1.823 122.418 120.570 0.041 0.000 2.304 103 I HA 0.094 nan 4.170 nan 0.000 0.291 103 I C -1.236 174.905 176.117 0.041 0.000 1.018 103 I CA -0.705 60.621 61.300 0.044 0.000 1.260 103 I CB 0.803 38.843 38.000 0.065 0.000 1.390 103 I HN 0.740 8.870 8.210 0.048 0.109 0.475 104 I N 7.732 128.318 120.570 0.026 0.000 2.342 104 I HA 0.220 nan 4.170 nan 0.000 0.291 104 I C -0.282 175.843 176.117 0.013 0.000 1.010 104 I CA -1.747 59.566 61.300 0.021 0.000 1.308 104 I CB -0.392 37.616 38.000 0.014 0.000 1.400 104 I HN 0.079 8.302 8.210 0.022 0.000 0.488 105 V N 8.212 128.132 119.914 0.010 0.000 2.715 105 V HA -0.004 nan 4.120 nan 0.000 0.299 105 V C 0.055 176.143 176.094 -0.009 0.000 1.054 105 V CA -0.144 62.151 62.300 -0.008 0.000 1.077 105 V CB 0.409 32.221 31.823 -0.019 0.000 0.972 105 V HN 0.647 8.743 8.190 0.017 0.105 0.484 106 E N 5.424 125.612 120.200 -0.020 0.000 2.452 106 E HA -0.033 nan 4.350 nan 0.000 0.261 106 E C -0.456 176.144 176.600 -0.000 0.000 0.987 106 E CA -0.534 55.860 56.400 -0.010 0.000 0.926 106 E CB -0.584 29.105 29.700 -0.018 0.000 0.934 106 E HN 0.261 8.601 8.360 -0.034 0.000 0.452 107 P HA -0.250 nan 4.420 nan 0.000 0.217 107 P C 1.416 178.745 177.300 0.049 0.000 1.148 107 P CA 2.687 65.803 63.100 0.026 0.000 0.834 107 P CB 0.045 31.759 31.700 0.022 0.000 0.783 108 E N -0.058 120.176 120.200 0.057 0.000 2.085 108 E HA -0.201 nan 4.350 nan 0.000 0.194 108 E C 1.287 178.006 176.600 0.199 0.000 0.994 108 E CA 2.625 59.092 56.400 0.112 0.000 0.801 108 E CB -0.490 29.276 29.700 0.112 0.000 0.743 108 E HN 0.738 9.092 8.360 0.039 0.029 0.453 109 K N -4.729 115.716 120.400 0.075 0.000 2.397 109 K HA 0.141 nan 4.320 nan 0.000 0.202 109 K C -0.926 175.674 176.600 -0.001 0.000 1.022 109 K CA -1.090 55.164 56.287 -0.055 0.000 1.141 109 K CB 0.419 32.583 32.500 -0.560 0.000 0.857 109 K HN -0.540 7.714 8.250 0.006 0.000 0.514 110 R N 1.062 121.594 120.500 0.053 0.000 2.421 110 R HA -0.218 nan 4.340 nan 0.000 0.305 110 R C -0.199 176.143 176.300 0.071 0.000 1.039 110 R CA 0.686 56.810 56.100 0.041 0.000 1.003 110 R CB 0.134 30.453 30.300 0.032 0.000 0.959 110 R HN -0.638 7.485 8.270 0.071 0.189 0.427 111 G N 5.792 114.630 108.800 0.064 0.000 2.971 111 G HA2 0.406 nan 3.960 nan 0.000 0.235 111 G HA3 0.406 nan 3.960 nan 0.000 0.235 111 G C -1.504 173.402 174.900 0.009 0.000 1.351 111 G CA -0.931 44.214 45.100 0.074 0.000 1.039 111 G HN 0.394 8.570 8.290 0.049 0.143 0.563 112 K N -2.445 117.912 120.400 -0.071 0.000 2.358 112 K HA 0.222 nan 4.320 nan 0.000 0.200 112 K C -0.869 175.514 176.600 -0.362 0.000 1.030 112 K CA 0.370 56.515 56.287 -0.236 0.000 1.097 112 K CB 1.632 33.924 32.500 -0.347 0.000 0.862 112 K HN 0.115 8.634 8.250 -0.027 -0.285 0.534 113 Y N -0.737 119.591 120.300 0.046 0.000 2.352 113 Y HA 0.382 nan 4.550 nan 0.000 0.326 113 Y C -1.201 174.747 175.900 0.079 0.000 1.166 113 Y CA -0.097 58.040 58.100 0.060 0.000 1.182 113 Y CB 1.691 40.176 38.460 0.042 0.000 1.216 113 Y HN -0.287 8.054 8.280 0.101 0.000 0.474 114 V N 2.236 122.329 119.914 0.298 0.000 2.417 114 V HA 0.581 nan 4.120 nan 0.000 0.291 114 V C -1.520 174.754 176.094 0.301 0.000 1.024 114 V CA -0.668 61.788 62.300 0.260 0.000 0.861 114 V CB 0.918 32.897 31.823 0.261 0.000 0.985 114 V HN 0.942 9.241 8.190 0.365 0.110 0.436 115 V N 6.304 126.377 119.914 0.264 0.000 2.487 115 V HA 0.676 nan 4.120 nan 0.000 0.298 115 V C -1.431 174.890 176.094 0.378 0.000 1.028 115 V CA -1.721 60.744 62.300 0.274 0.000 0.860 115 V CB 2.465 34.400 31.823 0.187 0.000 0.991 115 V HN 0.512 8.847 8.190 0.241 0.000 0.427 116 C N 7.200 126.717 119.300 0.362 0.000 2.298 116 C HA 1.021 nan 4.460 nan 0.000 0.323 116 C C -1.419 173.818 174.990 0.411 0.000 1.284 116 C CA -1.653 57.569 59.018 0.341 0.000 1.577 116 C CB -0.081 27.861 27.740 0.337 0.000 2.249 116 C HN 0.770 9.170 8.230 0.283 0.000 0.497 117 F N 1.582 121.621 119.950 0.149 0.000 2.645 117 F HA 0.663 nan 4.527 nan 0.000 0.310 117 F C -3.062 172.714 175.800 -0.039 0.000 1.102 117 F CA -2.454 55.621 58.000 0.126 0.000 0.952 117 F CB 2.655 41.730 39.000 0.125 0.000 1.326 117 F HN 0.922 9.014 8.300 -0.346 0.000 0.456 118 D N 1.083 121.569 120.400 0.143 0.000 2.453 118 D HA 0.586 nan 4.640 nan 0.000 0.238 118 D C -0.973 175.463 176.300 0.228 0.000 1.088 118 D CA -3.813 50.195 54.000 0.012 0.000 0.854 118 D CB 2.239 43.112 40.800 0.121 0.000 1.076 118 D HN 0.269 8.829 8.370 0.317 0.000 0.533 119 P HA -0.081 nan 4.420 nan 0.000 0.218 119 P C -0.850 176.588 177.300 0.229 0.000 1.149 119 P CA 1.479 64.774 63.100 0.326 0.000 0.817 119 P CB 0.443 32.336 31.700 0.321 0.000 0.785 120 L N -1.463 119.861 121.223 0.169 0.000 2.617 120 L HA 0.133 nan 4.340 nan 0.000 0.259 120 L C -2.675 174.265 176.870 0.116 0.000 0.995 120 L CA 0.063 55.002 54.840 0.165 0.000 0.899 120 L CB 2.612 44.751 42.059 0.133 0.000 1.181 120 L HN -0.833 7.599 8.230 0.130 -0.124 0.437 121 D N 4.308 124.774 120.400 0.109 0.000 2.210 121 D HA 0.248 nan 4.640 nan 0.000 0.249 121 D C 0.162 176.498 176.300 0.059 0.000 1.062 121 D CA -0.706 53.337 54.000 0.072 0.000 0.891 121 D CB 2.029 42.859 40.800 0.050 0.000 1.186 121 D HN 0.744 9.078 8.370 0.125 0.112 0.432 122 G N 3.344 112.177 108.800 0.054 0.000 2.132 122 G HA2 -0.385 nan 3.960 nan 0.000 0.228 122 G HA3 -0.385 nan 3.960 nan 0.000 0.228 122 G C 0.907 175.842 174.900 0.058 0.000 1.000 122 G CA 0.712 45.842 45.100 0.050 0.000 0.693 122 G HN 0.501 8.826 8.290 0.058 0.000 0.515 123 S N 1.128 116.865 115.700 0.062 0.000 2.440 123 S HA -0.373 nan 4.470 nan 0.000 0.240 123 S C 1.501 176.132 174.600 0.052 0.000 1.014 123 S CA 2.908 61.142 58.200 0.058 0.000 0.980 123 S CB -0.361 62.870 63.200 0.052 0.000 0.775 123 S HN -0.154 8.162 8.310 0.062 0.031 0.499 124 S N 0.591 116.324 115.700 0.055 0.000 2.481 124 S HA -0.152 nan 4.470 nan 0.000 0.231 124 S C 1.026 175.658 174.600 0.053 0.000 0.996 124 S CA 1.802 60.034 58.200 0.055 0.000 0.942 124 S CB -0.243 62.996 63.200 0.064 0.000 0.768 124 S HN 0.037 8.345 8.310 0.058 0.037 0.520 125 N N 0.415 119.146 118.700 0.052 0.000 2.463 125 N HA 0.034 nan 4.740 nan 0.000 0.181 125 N C 1.291 176.828 175.510 0.045 0.000 1.078 125 N CA 1.780 54.857 53.050 0.046 0.000 0.902 125 N CB 0.673 39.184 38.487 0.039 0.000 0.970 125 N HN 0.045 8.286 8.380 0.054 0.172 0.451 126 I N 0.318 120.917 120.570 0.048 0.000 2.145 126 I HA -0.478 nan 4.170 nan 0.000 0.244 126 I C 1.318 177.460 176.117 0.041 0.000 1.075 126 I CA 4.067 65.395 61.300 0.047 0.000 1.332 126 I CB -0.479 37.548 38.000 0.046 0.000 1.033 126 I HN -0.647 7.407 8.210 0.050 0.186 0.410 127 D N -0.489 119.934 120.400 0.040 0.000 2.309 127 D HA -0.153 nan 4.640 nan 0.000 0.212 127 D C 0.472 176.792 176.300 0.034 0.000 0.968 127 D CA 2.467 56.489 54.000 0.037 0.000 0.882 127 D CB -0.544 40.278 40.800 0.036 0.000 0.918 127 D HN 0.236 8.630 8.370 0.040 0.000 0.503 128 C N -3.131 116.189 119.300 0.034 0.000 2.906 128 C HA 0.129 nan 4.460 nan 0.000 0.274 128 C C 0.408 175.415 174.990 0.028 0.000 1.257 128 C CA -0.311 58.725 59.018 0.029 0.000 1.695 128 C CB 0.493 28.252 27.740 0.031 0.000 1.958 128 C HN -0.295 7.776 8.230 0.036 0.180 0.619 129 L N -4.289 116.953 121.223 0.032 0.000 4.040 129 L HA -0.518 nan 4.340 nan 0.000 0.410 129 L C -0.510 176.380 176.870 0.033 0.000 1.187 129 L CA 0.615 55.475 54.840 0.032 0.000 0.956 129 L CB -2.534 39.540 42.059 0.025 0.000 2.022 129 L HN -0.264 7.806 8.230 0.035 0.181 0.897 130 V N -2.089 117.845 119.914 0.033 0.000 3.003 130 V HA 0.018 nan 4.120 nan 0.000 0.305 130 V C 0.918 177.034 176.094 0.037 0.000 1.078 130 V CA 0.017 62.334 62.300 0.027 0.000 1.083 130 V CB 0.877 32.712 31.823 0.019 0.000 1.039 130 V HN -0.705 7.476 8.190 0.035 0.031 0.481 131 S N 2.934 118.651 115.700 0.029 0.000 2.558 131 S HA 0.049 nan 4.470 nan 0.000 0.293 131 S C -1.188 173.433 174.600 0.036 0.000 1.292 131 S CA 1.948 60.170 58.200 0.037 0.000 1.063 131 S CB -0.016 63.189 63.200 0.009 0.000 0.831 131 S HN 0.065 8.385 8.310 0.017 0.000 0.499 132 I N -3.163 117.456 120.570 0.082 0.000 3.322 132 I HA 1.056 nan 4.170 nan 0.000 0.313 132 I C -1.714 174.431 176.117 0.047 0.000 1.129 132 I CA -2.570 58.785 61.300 0.092 0.000 0.963 132 I CB 3.911 42.005 38.000 0.155 0.000 1.273 132 I HN -0.325 7.965 8.210 0.132 0.000 0.473 133 G N -2.367 106.450 108.800 0.030 0.000 2.550 133 G HA2 0.454 nan 3.960 nan 0.000 0.293 133 G HA3 0.454 nan 3.960 nan 0.000 0.293 133 G C -2.873 172.042 174.900 0.024 0.000 1.402 133 G CA 0.087 45.079 45.100 -0.180 0.000 0.784 133 G HN -0.401 7.941 8.290 0.087 0.000 0.482 134 T N 1.744 116.303 114.554 0.008 0.000 2.841 134 T HA 0.894 nan 4.350 nan 0.000 0.283 134 T C -1.227 173.596 174.700 0.205 0.000 1.000 134 T CA -0.429 61.786 62.100 0.192 0.000 0.977 134 T CB 1.850 70.890 68.868 0.285 0.000 0.979 134 T HN 0.212 8.362 8.240 -0.149 0.000 0.446 135 I N 4.255 124.968 120.570 0.238 0.000 2.545 135 I HA 0.994 nan 4.170 nan 0.000 0.292 135 I C -2.056 174.222 176.117 0.268 0.000 1.040 135 I CA -1.293 60.102 61.300 0.159 0.000 1.068 135 I CB 2.934 40.995 38.000 0.102 0.000 1.251 135 I HN 0.708 9.077 8.210 0.265 0.000 0.424 136 F N 2.181 122.210 119.950 0.131 0.000 2.619 136 F HA 0.893 nan 4.527 nan 0.000 0.308 136 F C -2.273 173.533 175.800 0.010 0.000 1.097 136 F CA -2.400 55.668 58.000 0.114 0.000 0.953 136 F CB 2.987 42.021 39.000 0.057 0.000 1.287 136 F HN 0.733 8.695 8.300 -0.564 0.000 0.446 137 G N -0.438 108.429 108.800 0.111 0.000 2.687 137 G HA2 0.750 nan 3.960 nan 0.000 0.301 137 G HA3 0.750 nan 3.960 nan 0.000 0.301 137 G C -2.953 171.863 174.900 -0.139 0.000 1.416 137 G CA -0.945 44.068 45.100 -0.145 0.000 1.005 137 G HN 0.736 9.175 8.290 0.249 0.000 0.509 138 I N 4.037 124.465 120.570 -0.238 0.000 2.406 138 I HA 0.753 nan 4.170 nan 0.000 0.290 138 I C -1.807 174.173 176.117 -0.228 0.000 0.999 138 I CA -1.019 60.197 61.300 -0.139 0.000 1.124 138 I CB 2.576 40.533 38.000 -0.071 0.000 1.289 138 I HN 1.088 9.012 8.210 -0.301 0.106 0.441 139 Y N 5.282 125.669 120.300 0.145 0.000 2.509 139 Y HA 0.587 nan 4.550 nan 0.000 0.341 139 Y C -1.641 174.390 175.900 0.219 0.000 1.038 139 Y CA -2.054 56.129 58.100 0.139 0.000 1.089 139 Y CB 3.463 41.976 38.460 0.088 0.000 1.241 139 Y HN 1.060 9.485 8.280 0.242 0.000 0.468 140 R N 1.060 121.754 120.500 0.323 0.000 2.368 140 R HA 0.426 nan 4.340 nan 0.000 0.302 140 R C -1.201 175.120 176.300 0.035 0.000 1.002 140 R CA -1.422 54.729 56.100 0.085 0.000 0.929 140 R CB 2.047 32.375 30.300 0.048 0.000 1.073 140 R HN 0.613 9.074 8.270 0.319 0.000 0.464 141 K N 6.132 126.496 120.400 -0.060 0.000 2.382 141 K HA -0.179 nan 4.320 nan 0.000 0.286 141 K C -0.262 176.314 176.600 -0.040 0.000 1.062 141 K CA 0.677 56.942 56.287 -0.038 0.000 1.000 141 K CB -0.090 32.376 32.500 -0.055 0.000 0.954 141 K HN 0.284 8.432 8.250 -0.169 0.000 0.470 142 N N 7.893 126.578 118.700 -0.026 0.000 2.678 142 N HA 0.135 nan 4.740 nan 0.000 0.231 142 N C -1.087 174.407 175.510 -0.026 0.000 1.038 142 N CA 0.103 53.140 53.050 -0.022 0.000 0.932 142 N CB -0.939 37.542 38.487 -0.010 0.000 1.176 142 N HN 0.247 8.611 8.380 -0.027 0.000 0.511 143 S N 3.956 119.640 115.700 -0.025 0.000 2.616 143 S HA -0.050 nan 4.470 nan 0.000 0.272 143 S C -1.545 173.042 174.600 -0.022 0.000 0.994 143 S CA -0.121 58.065 58.200 -0.022 0.000 1.002 143 S CB -0.455 62.731 63.200 -0.023 0.000 1.269 143 S HN -0.347 7.946 8.310 -0.028 0.000 0.466 144 T N -5.565 108.978 114.554 -0.018 0.000 3.144 144 T HA 0.277 nan 4.350 nan 0.000 0.290 144 T C -0.143 174.549 174.700 -0.013 0.000 0.966 144 T CA -0.206 61.885 62.100 -0.016 0.000 0.907 144 T CB 0.277 69.136 68.868 -0.013 0.000 1.152 144 T HN 0.022 8.252 8.240 -0.016 0.000 0.532 145 D N 2.648 123.040 120.400 -0.013 0.000 2.432 145 D HA 0.082 nan 4.640 nan 0.000 0.258 145 D C -0.713 175.582 176.300 -0.010 0.000 1.146 145 D CA -2.207 51.786 54.000 -0.010 0.000 1.015 145 D CB 0.569 41.363 40.800 -0.010 0.000 1.107 145 D HN -0.622 7.739 8.370 -0.015 0.000 0.529 146 E N -1.420 118.776 120.200 -0.007 0.000 2.708 146 E HA -0.144 nan 4.350 nan 0.000 0.260 146 E C -0.559 176.038 176.600 -0.006 0.000 0.937 146 E CA -0.038 56.360 56.400 -0.004 0.000 0.953 146 E CB -0.227 29.471 29.700 -0.002 0.000 0.915 146 E HN 0.244 8.600 8.360 -0.006 0.000 0.487 147 P HA 0.105 nan 4.420 nan 0.000 0.272 147 P C -1.289 176.010 177.300 -0.001 0.000 1.223 147 P CA -0.238 62.860 63.100 -0.003 0.000 0.784 147 P CB 0.703 32.405 31.700 0.003 0.000 0.923 148 S N 1.268 116.966 115.700 -0.004 0.000 2.655 148 S HA 0.148 nan 4.470 nan 0.000 0.266 148 S C 0.478 175.072 174.600 -0.009 0.000 1.149 148 S CA -0.863 57.334 58.200 -0.004 0.000 0.818 148 S CB 1.548 64.744 63.200 -0.008 0.000 1.130 148 S HN 0.433 9.038 8.310 -0.006 -0.300 0.476 149 E N 3.753 123.946 120.200 -0.011 0.000 2.147 149 E HA -0.360 nan 4.350 nan 0.000 0.199 149 E C 1.508 178.085 176.600 -0.039 0.000 1.005 149 E CA 3.545 59.932 56.400 -0.022 0.000 0.810 149 E CB -0.432 29.254 29.700 -0.023 0.000 0.736 149 E HN 0.416 8.772 8.360 -0.007 0.000 0.460 150 K N -1.403 118.975 120.400 -0.037 0.000 2.211 150 K HA -0.268 nan 4.320 nan 0.000 0.204 150 K C 2.246 178.804 176.600 -0.069 0.000 1.047 150 K CA 2.526 58.784 56.287 -0.050 0.000 0.935 150 K CB -0.228 32.249 32.500 -0.038 0.000 0.728 150 K HN -0.563 7.649 8.250 -0.027 0.021 0.452 151 D N -1.385 118.980 120.400 -0.057 0.000 2.264 151 D HA -0.135 nan 4.640 nan 0.000 0.208 151 D C 0.654 176.879 176.300 -0.125 0.000 0.966 151 D CA 2.570 56.528 54.000 -0.070 0.000 0.864 151 D CB 0.017 40.798 40.800 -0.031 0.000 0.933 151 D HN -0.179 8.010 8.370 -0.039 0.158 0.499 152 A N -2.312 120.442 122.820 -0.110 0.000 2.021 152 A HA 0.031 nan 4.320 nan 0.000 0.216 152 A C 0.862 178.282 177.584 -0.274 0.000 1.163 152 A CA 1.563 53.510 52.037 -0.150 0.000 0.676 152 A CB 0.680 19.664 19.000 -0.027 0.000 0.818 152 A HN -0.204 7.746 8.150 -0.073 0.156 0.453 153 L N -0.758 120.347 121.223 -0.197 0.000 2.544 153 L HA -0.150 nan 4.340 nan 0.000 0.240 153 L C -0.723 176.015 176.870 -0.220 0.000 1.421 153 L CA 0.013 54.747 54.840 -0.177 0.000 1.206 153 L CB -2.321 39.673 42.059 -0.107 0.000 1.463 153 L HN -0.610 7.392 8.230 -0.147 0.140 0.437 154 Q N 1.727 121.297 119.800 -0.384 0.000 2.342 154 Q HA 0.302 nan 4.340 nan 0.000 0.267 154 Q C -2.165 173.732 176.000 -0.172 0.000 1.038 154 Q CA -3.199 52.401 55.803 -0.338 0.000 0.832 154 Q CB 1.768 30.161 28.738 -0.575 0.000 1.323 154 Q HN -0.276 7.579 8.270 -0.563 0.077 0.448 155 P HA 0.052 nan 4.420 nan 0.000 0.269 155 P C 0.375 177.790 177.300 0.191 0.000 1.215 155 P CA -0.425 62.711 63.100 0.060 0.000 0.780 155 P CB 1.221 32.947 31.700 0.044 0.000 0.898 156 G N 0.068 108.992 108.800 0.207 0.000 2.501 156 G HA2 -0.356 nan 3.960 nan 0.000 0.220 156 G HA3 -0.356 nan 3.960 nan 0.000 0.220 156 G C 1.517 176.571 174.900 0.257 0.000 1.114 156 G CA 1.648 46.904 45.100 0.259 0.000 0.757 156 G HN 0.799 9.175 8.290 0.142 0.000 0.559 157 R N 0.963 121.582 120.500 0.198 0.000 2.189 157 R HA -0.190 nan 4.340 nan 0.000 0.223 157 R C 0.936 177.360 176.300 0.207 0.000 1.092 157 R CA 1.652 57.859 56.100 0.178 0.000 0.989 157 R CB -0.221 30.143 30.300 0.107 0.000 0.876 157 R HN -0.484 7.826 8.270 0.157 0.054 0.457 158 N N -2.975 115.870 118.700 0.242 0.000 2.314 158 N HA 0.042 nan 4.740 nan 0.000 0.200 158 N C -0.191 175.498 175.510 0.298 0.000 1.135 158 N CA -0.327 52.874 53.050 0.252 0.000 0.835 158 N CB 0.164 38.786 38.487 0.225 0.000 0.989 158 N HN -0.201 8.184 8.380 0.266 0.154 0.478 159 L N -0.106 121.226 121.223 0.181 0.000 2.416 159 L HA -0.158 nan 4.340 nan 0.000 0.272 159 L C 0.304 177.113 176.870 -0.103 0.000 1.161 159 L CA 0.787 55.530 54.840 -0.161 0.000 0.845 159 L CB 0.336 42.081 42.059 -0.523 0.000 1.119 159 L HN -0.708 7.489 8.230 0.229 0.170 0.464 160 V N 3.234 123.083 119.914 -0.109 0.000 2.446 160 V HA -0.132 nan 4.120 nan 0.000 0.244 160 V C -0.954 175.066 176.094 -0.124 0.000 1.039 160 V CA 2.017 64.306 62.300 -0.018 0.000 1.045 160 V CB 0.299 32.167 31.823 0.074 0.000 0.681 160 V HN 0.745 8.751 8.190 -0.139 0.100 0.459 161 A N -5.696 116.959 122.820 -0.275 0.000 2.594 161 A HA 0.735 nan 4.320 nan 0.000 0.295 161 A C -3.120 174.225 177.584 -0.400 0.000 1.071 161 A CA -0.881 50.993 52.037 -0.271 0.000 0.685 161 A CB 3.371 22.328 19.000 -0.072 0.000 1.285 161 A HN -0.701 7.272 8.150 -0.296 0.000 0.405 162 A N -0.977 121.613 122.820 -0.382 0.000 2.612 162 A HA 1.001 nan 4.320 nan 0.000 0.293 162 A C -2.352 174.945 177.584 -0.478 0.000 1.075 162 A CA -0.813 50.953 52.037 -0.452 0.000 0.680 162 A CB 3.175 21.871 19.000 -0.506 0.000 1.279 162 A HN 0.609 8.612 8.150 -0.244 0.000 0.411 163 G N -2.403 105.824 108.800 -0.954 0.000 2.325 163 G HA2 0.639 nan 3.960 nan 0.000 0.295 163 G HA3 0.639 nan 3.960 nan 0.000 0.295 163 G C -3.454 170.917 174.900 -0.883 0.000 1.274 163 G CA 1.137 45.763 45.100 -0.791 0.000 0.857 163 G HN 0.303 7.867 8.290 -1.210 0.000 0.499 164 Y N -5.334 114.703 120.300 -0.439 0.000 2.656 164 Y HA 0.872 nan 4.550 nan 0.000 0.334 164 Y C -3.099 172.753 175.900 -0.080 0.000 1.179 164 Y CA -2.298 55.671 58.100 -0.219 0.000 1.050 164 Y CB 2.295 40.638 38.460 -0.196 0.000 1.308 164 Y HN 0.231 8.075 8.280 -0.728 0.000 0.456 165 A N -1.470 121.426 122.820 0.127 0.000 2.343 165 A HA 0.817 nan 4.320 nan 0.000 0.316 165 A C -2.907 174.504 177.584 -0.287 0.000 1.104 165 A CA -1.937 50.054 52.037 -0.076 0.000 0.768 165 A CB 2.444 21.413 19.000 -0.052 0.000 1.213 165 A HN 0.818 9.062 8.150 0.157 0.000 0.456 166 L N 3.577 124.639 121.223 -0.269 0.000 2.305 166 L HA 0.634 nan 4.340 nan 0.000 0.284 166 L C -2.182 174.495 176.870 -0.323 0.000 1.013 166 L CA -1.772 52.877 54.840 -0.319 0.000 0.819 166 L CB 2.852 44.801 42.059 -0.183 0.000 1.227 166 L HN 0.678 8.700 8.230 -0.168 0.107 0.417 167 Y N 6.874 127.204 120.300 0.050 0.000 2.804 167 Y HA 0.355 nan 4.550 nan 0.000 0.330 167 Y C -0.701 175.214 175.900 0.026 0.000 1.092 167 Y CA -1.907 56.219 58.100 0.044 0.000 1.315 167 Y CB -1.810 36.678 38.460 0.047 0.000 1.188 167 Y HN 0.726 8.737 8.280 -0.449 0.000 0.512 168 G N 1.663 110.524 108.800 0.103 0.000 3.341 168 G HA2 0.296 nan 3.960 nan 0.000 0.177 168 G HA3 0.296 nan 3.960 nan 0.000 0.177 168 G C 0.254 175.193 174.900 0.066 0.000 1.236 168 G CA -0.954 44.185 45.100 0.066 0.000 0.888 168 G HN 0.094 8.439 8.290 0.092 0.000 0.644 169 S N 0.083 115.810 115.700 0.046 0.000 2.419 169 S HA -0.132 nan 4.470 nan 0.000 0.233 169 S C 0.207 174.834 174.600 0.045 0.000 1.016 169 S CA 2.058 60.282 58.200 0.039 0.000 0.974 169 S CB 0.371 63.588 63.200 0.029 0.000 0.786 169 S HN 0.328 8.662 8.310 0.041 0.000 0.492 170 A N 0.745 123.597 122.820 0.054 0.000 2.566 170 A HA 0.271 nan 4.320 nan 0.000 0.292 170 A C -1.959 175.677 177.584 0.086 0.000 1.112 170 A CA -0.469 51.604 52.037 0.061 0.000 0.707 170 A CB 2.441 21.471 19.000 0.050 0.000 1.302 170 A HN -0.779 7.372 8.150 0.053 0.031 0.409 171 T N 1.845 116.469 114.554 0.117 0.000 2.767 171 T HA 0.574 nan 4.350 nan 0.000 0.288 171 T C -1.700 173.112 174.700 0.187 0.000 0.963 171 T CA 0.584 62.797 62.100 0.188 0.000 1.019 171 T CB 0.272 69.307 68.868 0.279 0.000 0.923 171 T HN 0.520 8.817 8.240 0.095 0.000 0.468 172 M N 7.089 126.752 119.600 0.105 0.000 2.464 172 M HA 0.858 nan 4.480 nan 0.000 0.308 172 M C -2.800 173.490 176.300 -0.017 0.000 1.127 172 M CA -1.062 54.278 55.300 0.068 0.000 0.913 172 M CB 4.261 36.810 32.600 -0.085 0.000 1.689 172 M HN 0.563 8.867 8.290 0.024 0.000 0.445 173 L N 5.118 126.305 121.223 -0.060 0.000 2.325 173 L HA 0.769 nan 4.340 nan 0.000 0.281 173 L C -2.532 174.216 176.870 -0.205 0.000 1.004 173 L CA -0.935 53.758 54.840 -0.244 0.000 0.823 173 L CB 3.049 44.731 42.059 -0.627 0.000 1.236 173 L HN 0.653 8.911 8.230 0.046 0.000 0.415 174 V N 7.313 126.973 119.914 -0.424 0.000 2.417 174 V HA 0.692 nan 4.120 nan 0.000 0.291 174 V C -2.052 173.851 176.094 -0.318 0.000 1.024 174 V CA -1.370 60.670 62.300 -0.433 0.000 0.861 174 V CB 1.552 32.879 31.823 -0.827 0.000 0.985 174 V HN 0.969 8.816 8.190 -0.571 0.000 0.436 175 L N 8.489 129.660 121.223 -0.086 0.000 2.356 175 L HA 0.879 nan 4.340 nan 0.000 0.277 175 L C -2.733 174.167 176.870 0.049 0.000 0.996 175 L CA -1.453 53.396 54.840 0.016 0.000 0.822 175 L CB 4.274 46.405 42.059 0.119 0.000 1.256 175 L HN 0.507 8.717 8.230 -0.033 0.000 0.413 176 A N 6.374 129.234 122.820 0.068 0.000 2.318 176 A HA 0.922 nan 4.320 nan 0.000 0.317 176 A C -2.206 175.548 177.584 0.283 0.000 1.159 176 A CA -1.465 50.686 52.037 0.189 0.000 0.799 176 A CB 2.087 21.256 19.000 0.281 0.000 1.194 176 A HN 1.031 9.190 8.150 0.014 0.000 0.479 177 M N 2.625 122.395 119.600 0.283 0.000 2.745 177 M HA 0.560 nan 4.480 nan 0.000 0.290 177 M C 0.868 177.320 176.300 0.255 0.000 1.262 177 M CA -1.194 54.266 55.300 0.267 0.000 0.795 177 M CB 4.026 36.733 32.600 0.178 0.000 1.758 177 M HN 0.487 8.913 8.290 0.228 0.000 0.461 178 V N 1.748 121.789 119.914 0.212 0.000 2.370 178 V HA -0.451 nan 4.120 nan 0.000 0.252 178 V C 1.124 177.268 176.094 0.082 0.000 1.068 178 V CA 3.671 66.055 62.300 0.139 0.000 1.061 178 V CB -0.204 31.686 31.823 0.112 0.000 0.656 178 V HN 0.974 9.283 8.190 0.198 0.000 0.455 179 N N -5.183 113.571 118.700 0.091 0.000 2.459 179 N HA -0.103 nan 4.740 nan 0.000 0.181 179 N C 0.692 176.245 175.510 0.072 0.000 1.046 179 N CA 0.725 53.819 53.050 0.073 0.000 0.904 179 N CB -0.000 38.536 38.487 0.081 0.000 0.964 179 N HN 0.075 8.493 8.380 0.110 0.027 0.444 180 G N -1.311 107.539 108.800 0.083 0.000 2.325 180 G HA2 -0.162 nan 3.960 nan 0.000 0.285 180 G HA3 -0.162 nan 3.960 nan 0.000 0.285 180 G C -2.976 171.971 174.900 0.078 0.000 1.303 180 G CA -0.502 44.633 45.100 0.058 0.000 0.970 180 G HN -0.475 7.717 8.290 0.106 0.161 0.490 181 V N 0.242 120.178 119.914 0.036 0.000 2.459 181 V HA 0.592 nan 4.120 nan 0.000 0.295 181 V C -1.303 174.763 176.094 -0.047 0.000 1.029 181 V CA -1.520 60.786 62.300 0.011 0.000 0.874 181 V CB 1.715 33.534 31.823 -0.007 0.000 0.985 181 V HN 0.345 8.545 8.190 0.017 0.000 0.438 182 N N 5.317 123.958 118.700 -0.100 0.000 2.225 182 N HA 0.656 nan 4.740 nan 0.000 0.298 182 N C -2.111 173.162 175.510 -0.394 0.000 1.076 182 N CA -0.423 52.443 53.050 -0.308 0.000 0.792 182 N CB 4.958 43.153 38.487 -0.487 0.000 1.498 182 N HN 0.301 8.652 8.380 -0.049 0.000 0.474 183 C N 1.132 120.127 119.300 -0.508 0.000 2.322 183 C HA 0.858 nan 4.460 nan 0.000 0.324 183 C C -1.378 173.262 174.990 -0.583 0.000 1.284 183 C CA -0.797 57.998 59.018 -0.373 0.000 1.606 183 C CB 0.559 28.208 27.740 -0.152 0.000 2.251 183 C HN 0.890 8.707 8.230 -0.511 0.106 0.502 184 F N 3.729 123.600 119.950 -0.132 0.000 2.449 184 F HA 0.629 nan 4.527 nan 0.000 0.342 184 F C -1.687 174.179 175.800 0.110 0.000 1.127 184 F CA -1.725 56.250 58.000 -0.043 0.000 0.975 184 F CB 2.493 41.426 39.000 -0.112 0.000 1.146 184 F HN 1.125 9.440 8.300 0.024 0.000 0.444 185 M N 4.486 124.245 119.600 0.265 0.000 2.188 185 M HA 0.546 nan 4.480 nan 0.000 0.357 185 M C -1.802 174.654 176.300 0.259 0.000 1.204 185 M CA -1.687 53.748 55.300 0.224 0.000 1.095 185 M CB 2.104 34.769 32.600 0.109 0.000 1.604 185 M HN 0.846 9.249 8.290 0.189 0.000 0.464 186 L N 6.842 128.179 121.223 0.190 0.000 2.361 186 L HA 0.223 nan 4.340 nan 0.000 0.278 186 L C -1.538 175.269 176.870 -0.105 0.000 1.113 186 L CA 0.118 54.862 54.840 -0.160 0.000 0.849 186 L CB 0.755 42.625 42.059 -0.314 0.000 1.155 186 L HN 0.456 8.828 8.230 0.236 0.000 0.452 187 D N 8.337 128.660 120.400 -0.128 0.000 2.441 187 D HA 0.337 nan 4.640 nan 0.000 0.221 187 D C -0.805 175.428 176.300 -0.112 0.000 1.156 187 D CA -3.377 50.577 54.000 -0.076 0.000 0.896 187 D CB 1.505 42.278 40.800 -0.046 0.000 1.028 187 D HN 0.192 8.456 8.370 -0.177 0.000 0.509 188 P HA -0.089 nan 4.420 nan 0.000 0.226 188 P C -0.301 176.958 177.300 -0.068 0.000 1.153 188 P CA 0.854 63.899 63.100 -0.091 0.000 0.777 188 P CB 0.039 31.702 31.700 -0.062 0.000 0.794 189 A N -0.432 122.357 122.820 -0.052 0.000 1.930 189 A HA -0.145 nan 4.320 nan 0.000 0.217 189 A C 1.096 178.654 177.584 -0.043 0.000 1.175 189 A CA 1.908 53.922 52.037 -0.039 0.000 0.627 189 A CB 0.262 19.246 19.000 -0.026 0.000 0.815 189 A HN 0.027 8.326 8.150 -0.049 -0.178 0.443 190 I N -7.859 112.680 120.570 -0.052 0.000 4.082 190 I HA 0.320 nan 4.170 nan 0.000 0.337 190 I C 0.408 176.483 176.117 -0.070 0.000 1.352 190 I CA -1.013 60.258 61.300 -0.049 0.000 1.097 190 I CB 0.921 38.901 38.000 -0.033 0.000 1.048 190 I HN -0.663 7.653 8.210 -0.059 -0.142 0.393 191 G N 1.976 110.712 108.800 -0.107 0.000 2.333 191 G HA2 -0.498 nan 3.960 nan 0.000 0.296 191 G HA3 -0.498 nan 3.960 nan 0.000 0.296 191 G C -2.149 172.649 174.900 -0.169 0.000 1.059 191 G CA 0.758 45.768 45.100 -0.151 0.000 1.050 191 G HN -0.122 8.003 8.290 -0.106 0.102 0.508 192 E N -1.384 118.698 120.200 -0.197 0.000 2.290 192 E HA 0.362 nan 4.350 nan 0.000 0.274 192 E C -1.933 174.571 176.600 -0.160 0.000 0.889 192 E CA -2.058 54.265 56.400 -0.128 0.000 0.760 192 E CB 4.065 33.745 29.700 -0.033 0.000 1.206 192 E HN -0.766 7.471 8.360 -0.205 0.000 0.419 193 F N 3.512 123.470 119.950 0.012 0.000 2.410 193 F HA 0.428 nan 4.527 nan 0.000 0.348 193 F C -0.447 175.433 175.800 0.133 0.000 1.106 193 F CA 0.110 58.145 58.000 0.058 0.000 1.163 193 F CB 0.871 39.869 39.000 -0.004 0.000 1.129 193 F HN 0.387 8.777 8.300 0.150 0.000 0.516 194 I N 2.780 123.557 120.570 0.346 0.000 2.441 194 I HA 0.565 nan 4.170 nan 0.000 0.295 194 I C -1.534 174.736 176.117 0.256 0.000 0.994 194 I CA -2.867 58.589 61.300 0.260 0.000 1.144 194 I CB 1.832 39.907 38.000 0.126 0.000 1.314 194 I HN 0.991 9.283 8.210 0.326 0.113 0.445 195 L N 7.673 128.994 121.223 0.162 0.000 2.433 195 L HA 0.119 nan 4.340 nan 0.000 0.275 195 L C -0.849 175.901 176.870 -0.199 0.000 1.128 195 L CA 0.756 55.426 54.840 -0.282 0.000 0.875 195 L CB -0.007 41.886 42.059 -0.276 0.000 1.171 195 L HN 0.310 8.665 8.230 0.210 0.000 0.463 196 V N 1.541 121.304 119.914 -0.252 0.000 3.612 196 V HA 0.401 nan 4.120 nan 0.000 0.268 196 V C -0.023 175.986 176.094 -0.143 0.000 1.365 196 V CA -0.679 61.542 62.300 -0.132 0.000 1.044 196 V CB 0.675 32.463 31.823 -0.060 0.000 0.820 196 V HN 0.736 8.702 8.190 -0.374 0.000 0.444 197 D N 1.681 121.945 120.400 -0.226 0.000 2.736 197 D HA 0.275 nan 4.640 nan 0.000 0.243 197 D C -1.910 174.255 176.300 -0.224 0.000 1.304 197 D CA -0.208 53.690 54.000 -0.171 0.000 0.934 197 D CB 2.892 43.620 40.800 -0.120 0.000 1.382 197 D HN -0.433 7.726 8.370 -0.353 0.000 0.571 198 R N 3.039 123.447 120.500 -0.153 0.000 2.428 198 R HA 0.186 nan 4.340 nan 0.000 0.294 198 R C -0.829 175.430 176.300 -0.069 0.000 1.000 198 R CA -0.392 55.633 56.100 -0.125 0.000 0.960 198 R CB 1.109 31.368 30.300 -0.067 0.000 1.076 198 R HN 0.241 8.445 8.270 -0.111 0.000 0.475 199 N N -0.058 118.614 118.700 -0.045 0.000 2.686 199 N HA -0.312 nan 4.740 nan 0.000 0.261 199 N C -0.098 175.395 175.510 -0.027 0.000 1.001 199 N CA 0.487 53.528 53.050 -0.015 0.000 0.764 199 N CB -0.596 37.895 38.487 0.006 0.000 0.898 199 N HN 0.226 8.575 8.380 -0.052 0.000 0.544 200 V N -1.869 118.020 119.914 -0.042 0.000 2.599 200 V HA -0.225 nan 4.120 nan 0.000 0.300 200 V C -0.837 175.240 176.094 -0.027 0.000 1.034 200 V CA 1.523 63.800 62.300 -0.039 0.000 1.115 200 V CB 0.473 32.268 31.823 -0.046 0.000 0.934 200 V HN -0.340 7.817 8.190 -0.054 0.000 0.485 201 K N 4.418 124.802 120.400 -0.027 0.000 2.426 201 K HA 0.278 nan 4.320 nan 0.000 0.254 201 K C -1.065 175.519 176.600 -0.026 0.000 0.936 201 K CA -2.250 54.023 56.287 -0.024 0.000 0.801 201 K CB 1.952 34.439 32.500 -0.022 0.000 1.139 201 K HN -0.142 8.090 8.250 -0.030 0.000 0.424 202 I N 4.034 124.590 120.570 -0.022 0.000 2.882 202 I HA -0.117 nan 4.170 nan 0.000 0.286 202 I C -1.128 174.971 176.117 -0.030 0.000 1.139 202 I CA -0.185 61.101 61.300 -0.024 0.000 1.379 202 I CB 0.996 38.991 38.000 -0.010 0.000 1.410 202 I HN 0.386 8.476 8.210 -0.018 0.109 0.594 203 K N 4.455 124.828 120.400 -0.045 0.000 2.355 203 K HA -0.005 nan 4.320 nan 0.000 0.270 203 K C 1.122 177.705 176.600 -0.029 0.000 1.003 203 K CA 0.312 56.566 56.287 -0.054 0.000 0.957 203 K CB 0.547 32.989 32.500 -0.097 0.000 0.939 203 K HN 0.413 8.631 8.250 -0.052 0.000 0.482 204 K N 1.199 121.585 120.400 -0.023 0.000 2.097 204 K HA -0.306 nan 4.320 nan 0.000 0.206 204 K C 0.027 176.635 176.600 0.013 0.000 1.049 204 K CA 3.150 59.435 56.287 -0.002 0.000 0.933 204 K CB 0.535 33.034 32.500 -0.001 0.000 0.717 204 K HN 0.438 8.670 8.250 -0.030 0.000 0.442 205 K N -3.083 117.316 120.400 -0.002 0.000 2.535 205 K HA 0.184 nan 4.320 nan 0.000 0.250 205 K C -1.368 175.205 176.600 -0.045 0.000 0.948 205 K CA -1.332 54.968 56.287 0.021 0.000 0.796 205 K CB 2.469 34.995 32.500 0.043 0.000 1.216 205 K HN -0.709 7.525 8.250 -0.027 0.000 0.432 206 G N 1.873 110.648 108.800 -0.042 0.000 2.642 206 G HA2 0.465 nan 3.960 nan 0.000 0.291 206 G HA3 0.465 nan 3.960 nan 0.000 0.291 206 G C -1.570 173.068 174.900 -0.437 0.000 1.345 206 G CA -1.567 43.424 45.100 -0.181 0.000 1.043 206 G HN 0.271 8.918 8.290 0.054 -0.325 0.528 207 S N -2.723 112.650 115.700 -0.545 0.000 2.941 207 S HA 0.144 nan 4.470 nan 0.000 0.251 207 S C -1.033 173.220 174.600 -0.578 0.000 1.029 207 S CA -0.555 57.053 58.200 -0.986 0.000 1.062 207 S CB 0.692 63.584 63.200 -0.513 0.000 0.977 207 S HN 0.193 8.293 8.310 -0.351 0.000 0.552 208 I N 0.794 121.251 120.570 -0.189 0.000 2.619 208 I HA 0.751 nan 4.170 nan 0.000 0.292 208 I C -2.282 174.058 176.117 0.373 0.000 1.100 208 I CA -0.705 60.678 61.300 0.139 0.000 1.043 208 I CB 4.372 42.455 38.000 0.139 0.000 1.239 208 I HN -0.769 7.347 8.210 -0.157 0.000 0.420 209 Y N 3.883 124.371 120.300 0.314 0.000 2.485 209 Y HA 0.802 nan 4.550 nan 0.000 0.345 209 Y C -2.638 173.395 175.900 0.221 0.000 0.998 209 Y CA -3.193 55.083 58.100 0.293 0.000 1.059 209 Y CB 3.019 41.635 38.460 0.260 0.000 1.234 209 Y HN 0.314 8.683 8.280 0.148 0.000 0.461 210 S N 1.202 117.031 115.700 0.216 0.000 2.733 210 S HA 0.394 nan 4.470 nan 0.000 0.294 210 S C -2.314 172.362 174.600 0.127 0.000 1.149 210 S CA -1.610 56.700 58.200 0.183 0.000 1.034 210 S CB 1.698 65.129 63.200 0.385 0.000 1.015 210 S HN 0.239 8.746 8.310 0.328 0.000 0.486 211 I N 2.854 123.398 120.570 -0.042 0.000 2.947 211 I HA 0.161 nan 4.170 nan 0.000 0.301 211 I C -2.682 172.952 176.117 -0.803 0.000 1.453 211 I CA -0.849 60.243 61.300 -0.345 0.000 0.984 211 I CB 4.204 42.115 38.000 -0.149 0.000 1.333 211 I HN -0.007 8.160 8.210 -0.072 0.000 0.475 212 N N 4.416 122.554 118.700 -0.936 0.000 2.448 212 N HA -0.009 nan 4.740 nan 0.000 0.250 212 N C 0.697 176.077 175.510 -0.218 0.000 1.136 212 N CA -0.760 51.812 53.050 -0.796 0.000 0.953 212 N CB -0.599 37.585 38.487 -0.504 0.000 1.251 212 N HN 0.535 8.496 8.380 -0.698 0.000 0.502 213 E N 6.196 126.305 120.200 -0.152 0.000 2.515 213 E HA -0.184 nan 4.350 nan 0.000 0.201 213 E C 1.546 178.035 176.600 -0.186 0.000 1.071 213 E CA 1.305 57.700 56.400 -0.008 0.000 0.880 213 E CB -0.340 29.393 29.700 0.055 0.000 0.828 213 E HN 0.050 8.278 8.360 -0.219 0.000 0.540 214 G N -0.323 108.276 108.800 -0.335 0.000 2.598 214 G HA2 -0.122 nan 3.960 nan 0.000 0.215 214 G HA3 -0.122 nan 3.960 nan 0.000 0.215 214 G C 0.374 174.967 174.900 -0.513 0.000 1.131 214 G CA 0.943 45.792 45.100 -0.418 0.000 0.785 214 G HN -0.196 8.068 8.290 -0.374 -0.199 0.539 215 Y N -1.196 118.891 120.300 -0.354 0.000 2.524 215 Y HA 0.147 nan 4.550 nan 0.000 0.266 215 Y C 0.349 175.579 175.900 -1.118 0.000 1.180 215 Y CA -2.419 55.351 58.100 -0.549 0.000 1.244 215 Y CB -1.337 36.898 38.460 -0.375 0.000 1.125 215 Y HN -0.665 7.307 8.280 -0.419 0.057 0.524 216 A N 1.327 123.636 122.820 -0.852 0.000 1.909 216 A HA -0.489 nan 4.320 nan 0.000 0.221 216 A C 1.871 179.178 177.584 -0.462 0.000 1.223 216 A CA 3.802 55.400 52.037 -0.732 0.000 0.658 216 A CB -0.753 18.083 19.000 -0.273 0.000 0.831 216 A HN -0.417 7.322 8.150 -0.550 0.080 0.462 217 K N -1.759 118.477 120.400 -0.274 0.000 2.286 217 K HA -0.258 nan 4.320 nan 0.000 0.203 217 K C 1.136 177.663 176.600 -0.121 0.000 1.045 217 K CA 2.602 58.802 56.287 -0.145 0.000 0.935 217 K CB -0.244 32.199 32.500 -0.095 0.000 0.737 217 K HN 0.082 8.181 8.250 -0.251 0.000 0.460 218 E N -4.108 115.977 120.200 -0.193 0.000 2.452 218 E HA -0.019 nan 4.350 nan 0.000 0.197 218 E C 0.191 176.827 176.600 0.060 0.000 1.022 218 E CA -0.281 56.075 56.400 -0.073 0.000 0.890 218 E CB 0.765 30.431 29.700 -0.057 0.000 0.918 218 E HN -0.240 7.746 8.360 -0.334 0.173 0.496 219 F N 0.271 120.222 119.950 0.002 0.000 2.496 219 F HA -0.108 nan 4.527 nan 0.000 0.344 219 F C 0.524 176.303 175.800 -0.035 0.000 1.155 219 F CA -0.857 57.131 58.000 -0.021 0.000 1.302 219 F CB 0.091 39.071 39.000 -0.032 0.000 1.159 219 F HN -0.592 7.434 8.300 -0.265 0.116 0.595 220 D N 0.438 120.935 120.400 0.161 0.000 2.360 220 D HA 0.100 nan 4.640 nan 0.000 0.242 220 D C 0.175 176.440 176.300 -0.058 0.000 1.184 220 D CA -1.554 52.469 54.000 0.038 0.000 0.930 220 D CB -0.523 40.297 40.800 0.034 0.000 1.161 220 D HN 0.168 8.637 8.370 0.165 0.000 0.447 221 P HA -0.249 nan 4.420 nan 0.000 0.218 221 P C 0.490 177.461 177.300 -0.548 0.000 1.148 221 P CA 2.397 65.364 63.100 -0.222 0.000 0.822 221 P CB 0.000 31.654 31.700 -0.078 0.000 0.784 222 A N -1.177 121.179 122.820 -0.773 0.000 1.897 222 A HA -0.187 nan 4.320 nan 0.000 0.215 222 A C 2.407 179.626 177.584 -0.608 0.000 1.181 222 A CA 2.914 54.376 52.037 -0.958 0.000 0.620 222 A CB -0.672 17.452 19.000 -1.460 0.000 0.821 222 A HN -0.473 7.398 8.150 -0.623 -0.095 0.443 223 I N -2.011 118.266 120.570 -0.489 0.000 2.202 223 I HA -0.484 nan 4.170 nan 0.000 0.242 223 I C 1.841 177.857 176.117 -0.169 0.000 1.091 223 I CA 3.273 64.376 61.300 -0.329 0.000 1.368 223 I CB -1.086 36.653 38.000 -0.436 0.000 1.058 223 I HN 0.063 8.299 8.210 -0.483 -0.317 0.410 224 T N 1.650 116.148 114.554 -0.094 0.000 2.699 224 T HA -0.399 nan 4.350 nan 0.000 0.268 224 T C 1.978 176.658 174.700 -0.034 0.000 1.036 224 T CA 5.146 67.254 62.100 0.012 0.000 1.147 224 T CB -0.675 68.212 68.868 0.031 0.000 0.862 224 T HN -0.292 7.881 8.240 -0.112 0.000 0.446 225 E N 1.302 121.452 120.200 -0.085 0.000 2.106 225 E HA -0.328 nan 4.350 nan 0.000 0.192 225 E C 1.604 178.171 176.600 -0.055 0.000 0.984 225 E CA 2.863 59.230 56.400 -0.055 0.000 0.806 225 E CB -0.042 29.637 29.700 -0.035 0.000 0.750 225 E HN -0.559 7.706 8.360 -0.158 0.000 0.458 226 Y N 0.667 120.845 120.300 -0.203 0.000 2.145 226 Y HA -0.383 nan 4.550 nan 0.000 0.286 226 Y C 1.895 177.632 175.900 -0.271 0.000 1.145 226 Y CA 3.531 61.498 58.100 -0.222 0.000 1.148 226 Y CB 0.103 38.422 38.460 -0.234 0.000 0.981 226 Y HN -0.547 7.723 8.280 -0.017 0.000 0.507 227 I N -1.887 118.549 120.570 -0.222 0.000 2.194 227 I HA -0.673 nan 4.170 nan 0.000 0.246 227 I C 1.874 177.787 176.117 -0.341 0.000 1.093 227 I CA 3.838 64.904 61.300 -0.389 0.000 1.355 227 I CB -0.406 37.506 38.000 -0.148 0.000 1.046 227 I HN -0.038 8.143 8.210 -0.049 0.000 0.413 228 Q N -0.858 118.848 119.800 -0.158 0.000 2.084 228 Q HA -0.338 nan 4.340 nan 0.000 0.202 228 Q C 2.211 178.168 176.000 -0.071 0.000 0.978 228 Q CA 3.175 58.961 55.803 -0.028 0.000 0.844 228 Q CB -0.578 28.155 28.738 -0.007 0.000 0.898 228 Q HN -0.504 7.605 8.270 -0.122 0.088 0.426 229 R N -2.442 117.929 120.500 -0.214 0.000 2.120 229 R HA -0.335 nan 4.340 nan 0.000 0.234 229 R C 1.917 177.992 176.300 -0.375 0.000 1.123 229 R CA 2.882 58.833 56.100 -0.249 0.000 0.975 229 R CB -0.137 29.985 30.300 -0.296 0.000 0.866 229 R HN -0.329 7.705 8.270 -0.243 0.091 0.446 230 K N -2.950 117.089 120.400 -0.602 0.000 2.155 230 K HA -0.121 nan 4.320 nan 0.000 0.203 230 K C 1.776 178.151 176.600 -0.374 0.000 1.052 230 K CA 2.543 58.424 56.287 -0.677 0.000 0.948 230 K CB 0.044 31.912 32.500 -1.053 0.000 0.728 230 K HN -0.298 7.431 8.250 -0.675 0.116 0.448 231 K N -1.861 118.344 120.400 -0.326 0.000 2.128 231 K HA -0.099 nan 4.320 nan 0.000 0.202 231 K C 1.133 177.354 176.600 -0.632 0.000 1.050 231 K CA 2.641 58.678 56.287 -0.416 0.000 0.966 231 K CB 0.967 33.228 32.500 -0.399 0.000 0.759 231 K HN -0.685 7.289 8.250 -0.307 0.092 0.454 232 F N -1.040 118.847 119.950 -0.105 0.000 2.550 232 F HA 0.355 nan 4.527 nan 0.000 0.348 232 F C -2.315 173.430 175.800 -0.091 0.000 1.219 232 F CA -3.046 54.910 58.000 -0.074 0.000 1.203 232 F CB 0.212 39.176 39.000 -0.060 0.000 1.436 232 F HN -0.206 8.139 8.300 0.075 0.000 0.541 233 P HA 0.120 nan 4.420 nan 0.000 0.262 233 P C -0.994 176.313 177.300 0.011 0.000 1.199 233 P CA -1.390 61.694 63.100 -0.027 0.000 0.763 233 P CB -0.061 31.618 31.700 -0.034 0.000 0.790 234 P HA -0.166 nan 4.420 nan 0.000 0.222 234 P C -0.921 176.382 177.300 0.005 0.000 1.147 234 P CA 2.131 65.233 63.100 0.004 0.000 0.790 234 P CB -0.402 31.293 31.700 -0.009 0.000 0.780 235 D N -4.259 116.143 120.400 0.002 0.000 2.358 235 D HA -0.077 nan 4.640 nan 0.000 0.224 235 D C 0.035 176.342 176.300 0.011 0.000 1.123 235 D CA -1.028 52.976 54.000 0.006 0.000 0.833 235 D CB -0.582 40.221 40.800 0.006 0.000 0.946 235 D HN -0.205 8.127 8.370 -0.005 0.034 0.505 236 N N -1.204 117.505 118.700 0.015 0.000 2.741 236 N HA -0.367 nan 4.740 nan 0.000 0.251 236 N C -0.605 174.916 175.510 0.018 0.000 1.112 236 N CA 1.079 54.140 53.050 0.019 0.000 0.750 236 N CB -0.898 37.601 38.487 0.019 0.000 1.119 236 N HN 0.110 8.314 8.380 0.016 0.185 0.561 237 S N -0.936 114.775 115.700 0.019 0.000 2.632 237 S HA 0.116 nan 4.470 nan 0.000 0.267 237 S C -0.521 174.099 174.600 0.034 0.000 1.276 237 S CA -0.459 57.759 58.200 0.030 0.000 0.998 237 S CB 1.581 64.807 63.200 0.042 0.000 0.953 237 S HN -0.622 7.843 8.310 0.014 -0.147 0.547 238 A N 1.208 124.055 122.820 0.045 0.000 2.540 238 A HA -0.006 nan 4.320 nan 0.000 0.239 238 A C -1.739 175.897 177.584 0.086 0.000 1.061 238 A CA -0.715 51.350 52.037 0.047 0.000 0.758 238 A CB -1.517 17.508 19.000 0.041 0.000 0.991 238 A HN 0.191 8.367 8.150 0.044 0.000 0.502 239 P HA 0.054 nan 4.420 nan 0.000 0.272 239 P C -1.571 175.871 177.300 0.236 0.000 1.230 239 P CA -0.439 62.700 63.100 0.067 0.000 0.788 239 P CB 0.548 32.217 31.700 -0.053 0.000 0.949 240 Y N 0.564 120.877 120.300 0.022 0.000 2.300 240 Y HA -0.018 nan 4.550 nan 0.000 0.328 240 Y C 0.637 176.625 175.900 0.147 0.000 1.270 240 Y CA -0.069 58.099 58.100 0.115 0.000 1.352 240 Y CB 1.061 39.653 38.460 0.221 0.000 1.286 240 Y HN -0.102 8.326 8.280 0.247 0.000 0.536 241 G N -0.648 108.281 108.800 0.215 0.000 2.476 241 G HA2 0.157 nan 3.960 nan 0.000 0.286 241 G HA3 0.157 nan 3.960 nan 0.000 0.286 241 G C -2.656 172.230 174.900 -0.023 0.000 1.177 241 G CA -1.078 44.076 45.100 0.091 0.000 0.870 241 G HN 0.532 8.906 8.290 0.141 0.000 0.528 242 A N 0.895 123.629 122.820 -0.145 0.000 2.325 242 A HA 0.775 nan 4.320 nan 0.000 0.333 242 A C -0.932 176.547 177.584 -0.174 0.000 1.155 242 A CA -0.884 50.914 52.037 -0.399 0.000 0.814 242 A CB 1.689 20.435 19.000 -0.424 0.000 1.206 242 A HN -0.006 8.105 8.150 -0.066 0.000 0.482 243 R N 1.615 122.036 120.500 -0.132 0.000 2.535 243 R HA 0.202 nan 4.340 nan 0.000 0.274 243 R C -2.329 174.055 176.300 0.140 0.000 1.090 243 R CA -0.493 55.610 56.100 0.006 0.000 0.930 243 R CB 3.982 34.289 30.300 0.012 0.000 1.223 243 R HN 0.110 8.254 8.270 -0.210 0.000 0.441 244 Y N 2.399 122.696 120.300 -0.005 0.000 2.379 244 Y HA 0.018 nan 4.550 nan 0.000 0.342 244 Y C -1.223 174.714 175.900 0.061 0.000 1.126 244 Y CA -0.281 57.850 58.100 0.052 0.000 1.310 244 Y CB 0.485 38.966 38.460 0.036 0.000 1.115 244 Y HN -0.258 8.111 8.280 0.148 0.000 0.505 245 V N 5.815 125.634 119.914 -0.159 0.000 2.427 245 V HA -0.160 nan 4.120 nan 0.000 0.248 245 V C 0.554 176.516 176.094 -0.221 0.000 1.051 245 V CA 2.189 64.404 62.300 -0.140 0.000 1.048 245 V CB 0.002 31.763 31.823 -0.104 0.000 0.666 245 V HN 0.714 9.156 8.190 -0.120 -0.323 0.456 246 G N -2.314 106.160 108.800 -0.544 0.000 2.176 246 G HA2 -0.335 nan 3.960 nan 0.000 0.232 246 G HA3 -0.335 nan 3.960 nan 0.000 0.232 246 G C -0.872 173.945 174.900 -0.138 0.000 0.986 246 G CA -0.176 44.718 45.100 -0.343 0.000 0.643 246 G HN -0.221 7.722 8.290 -0.933 -0.213 0.522 247 S N 0.968 116.574 115.700 -0.156 0.000 2.707 247 S HA 0.299 nan 4.470 nan 0.000 0.312 247 S C -0.185 174.327 174.600 -0.146 0.000 1.116 247 S CA -2.025 56.122 58.200 -0.088 0.000 1.078 247 S CB 1.275 64.433 63.200 -0.069 0.000 0.997 247 S HN -0.718 7.489 8.310 -0.216 -0.027 0.477 248 M N 6.846 126.372 119.600 -0.124 0.000 2.089 248 M HA -0.408 nan 4.480 nan 0.000 0.257 248 M C 0.830 176.884 176.300 -0.410 0.000 1.071 248 M CA 4.244 59.375 55.300 -0.281 0.000 1.096 248 M CB -0.105 32.390 32.600 -0.175 0.000 1.330 248 M HN 0.750 9.015 8.290 -0.042 0.000 0.403 249 V N -2.827 116.889 119.914 -0.329 0.000 2.407 249 V HA -0.437 nan 4.120 nan 0.000 0.248 249 V C 1.674 177.552 176.094 -0.360 0.000 1.055 249 V CA 3.800 65.826 62.300 -0.457 0.000 1.049 249 V CB -1.755 29.848 31.823 -0.368 0.000 0.662 249 V HN -0.065 7.987 8.190 -0.230 0.000 0.455 250 A N -0.657 122.029 122.820 -0.223 0.000 1.897 250 A HA -0.281 nan 4.320 nan 0.000 0.215 250 A C 1.989 179.498 177.584 -0.124 0.000 1.181 250 A CA 3.294 55.257 52.037 -0.124 0.000 0.620 250 A CB -0.715 18.234 19.000 -0.086 0.000 0.821 250 A HN -0.328 7.599 8.150 -0.204 0.101 0.443 251 D N -0.700 119.580 120.400 -0.200 0.000 2.117 251 D HA -0.206 nan 4.640 nan 0.000 0.198 251 D C 2.575 178.734 176.300 -0.234 0.000 0.982 251 D CA 3.687 57.589 54.000 -0.164 0.000 0.828 251 D CB -0.036 40.694 40.800 -0.117 0.000 0.967 251 D HN -0.272 7.951 8.370 -0.244 0.000 0.464 252 V N 0.311 119.959 119.914 -0.443 0.000 2.307 252 V HA -0.380 nan 4.120 nan 0.000 0.245 252 V C 1.661 177.657 176.094 -0.164 0.000 1.045 252 V CA 4.718 66.802 62.300 -0.361 0.000 1.024 252 V CB -0.698 30.841 31.823 -0.474 0.000 0.651 252 V HN 0.712 8.452 8.190 -0.563 0.112 0.449 253 H N 0.220 119.142 119.070 -0.246 0.000 2.352 253 H HA -0.347 nan 4.556 nan 0.000 0.299 253 H C 1.764 177.095 175.328 0.006 0.000 1.097 253 H CA 3.920 59.943 56.048 -0.042 0.000 1.311 253 H CB 0.048 29.813 29.762 0.006 0.000 1.377 253 H HN -0.175 7.975 8.280 -0.216 0.000 0.504 254 R N -1.911 118.552 120.500 -0.062 0.000 2.092 254 R HA -0.293 nan 4.340 nan 0.000 0.231 254 R C 2.222 178.516 176.300 -0.010 0.000 1.119 254 R CA 3.592 59.659 56.100 -0.055 0.000 0.970 254 R CB -0.169 30.127 30.300 -0.006 0.000 0.864 254 R HN -0.307 7.947 8.270 -0.021 0.004 0.440 255 T N 2.887 117.441 114.554 0.000 0.000 2.708 255 T HA -0.231 nan 4.350 nan 0.000 0.266 255 T C 2.359 177.065 174.700 0.010 0.000 1.037 255 T CA 4.570 66.699 62.100 0.048 0.000 1.146 255 T CB -0.615 68.298 68.868 0.074 0.000 0.865 255 T HN -0.282 7.832 8.240 -0.028 0.110 0.435 256 L N 1.240 122.441 121.223 -0.037 0.000 2.012 256 L HA -0.288 nan 4.340 nan 0.000 0.210 256 L C 1.283 178.108 176.870 -0.075 0.000 1.073 256 L CA 3.331 58.146 54.840 -0.042 0.000 0.748 256 L CB -0.170 41.880 42.059 -0.015 0.000 0.891 256 L HN 0.043 8.242 8.230 -0.052 0.000 0.431 257 V N -2.272 117.552 119.914 -0.150 0.000 2.488 257 V HA -0.264 nan 4.120 nan 0.000 0.246 257 V C 1.763 177.875 176.094 0.030 0.000 1.046 257 V CA 3.589 65.826 62.300 -0.106 0.000 1.053 257 V CB -0.142 31.548 31.823 -0.222 0.000 0.679 257 V HN -0.514 7.531 8.190 -0.242 0.000 0.458 258 Y N -1.124 119.117 120.300 -0.098 0.000 2.507 258 Y HA 0.137 nan 4.550 nan 0.000 0.263 258 Y C -0.417 175.454 175.900 -0.048 0.000 1.093 258 Y CA 0.696 58.757 58.100 -0.064 0.000 1.285 258 Y CB 2.524 40.950 38.460 -0.057 0.000 1.115 258 Y HN 0.180 8.410 8.280 0.095 0.107 0.533 259 G N -3.735 105.042 108.800 -0.038 0.000 2.663 259 G HA2 -0.350 nan 3.960 nan 0.000 0.686 259 G HA3 -0.350 nan 3.960 nan 0.000 0.686 259 G C -1.367 173.539 174.900 0.010 0.000 1.288 259 G CA -0.616 44.444 45.100 -0.068 0.000 0.836 259 G HN -0.420 7.779 8.290 0.031 0.110 0.584 260 G N -1.314 107.516 108.800 0.050 0.000 2.342 260 G HA2 -0.210 nan 3.960 nan 0.000 0.220 260 G HA3 -0.210 nan 3.960 nan 0.000 0.220 260 G C -2.829 172.198 174.900 0.211 0.000 1.243 260 G CA -0.359 44.828 45.100 0.146 0.000 1.083 260 G HN -0.063 8.251 8.290 0.040 0.000 0.500 261 I N -0.295 120.448 120.570 0.287 0.000 2.722 261 I HA 0.944 nan 4.170 nan 0.000 0.295 261 I C -2.957 173.356 176.117 0.328 0.000 1.161 261 I CA -2.447 59.021 61.300 0.281 0.000 1.032 261 I CB 3.809 41.979 38.000 0.284 0.000 1.244 261 I HN -0.068 8.338 8.210 0.327 0.000 0.421 262 F N 8.207 128.243 119.950 0.142 0.000 2.520 262 F HA 0.843 nan 4.527 nan 0.000 0.322 262 F C -2.692 173.187 175.800 0.133 0.000 1.103 262 F CA -2.153 55.939 58.000 0.153 0.000 0.926 262 F CB 4.200 43.274 39.000 0.123 0.000 1.154 262 F HN 0.595 9.093 8.300 0.331 0.000 0.453 263 M N 5.376 124.537 119.600 -0.732 0.000 2.378 263 M HA 0.430 nan 4.480 nan 0.000 0.289 263 M C -2.539 173.386 176.300 -0.625 0.000 1.136 263 M CA -0.425 54.557 55.300 -0.528 0.000 0.917 263 M CB 3.988 36.419 32.600 -0.281 0.000 1.669 263 M HN 0.673 8.462 8.290 -0.835 0.000 0.461 264 Y N 3.248 123.318 120.300 -0.383 0.000 2.544 264 Y HA 0.444 nan 4.550 nan 0.000 0.347 264 Y C -3.063 172.781 175.900 -0.093 0.000 1.089 264 Y CA -2.658 55.338 58.100 -0.173 0.000 1.230 264 Y CB 2.055 40.495 38.460 -0.035 0.000 1.101 264 Y HN 0.683 8.890 8.280 -0.123 0.000 0.641 265 P HA 0.163 nan 4.420 nan 0.000 0.279 265 P C -1.723 175.644 177.300 0.113 0.000 1.282 265 P CA -1.254 61.860 63.100 0.024 0.000 0.788 265 P CB 1.114 32.752 31.700 -0.103 0.000 1.139 266 A N -2.000 120.870 122.820 0.083 0.000 2.351 266 A HA 0.142 nan 4.320 nan 0.000 0.257 266 A C -1.446 176.192 177.584 0.090 0.000 1.087 266 A CA 0.136 52.222 52.037 0.083 0.000 0.798 266 A CB 0.910 19.943 19.000 0.055 0.000 1.033 266 A HN 0.240 8.426 8.150 0.060 0.000 0.488 267 N N 0.099 118.829 118.700 0.049 0.000 3.339 267 N HA 0.118 nan 4.740 nan 0.000 0.275 267 N C 0.399 175.899 175.510 -0.017 0.000 1.514 267 N CA -0.383 52.678 53.050 0.018 0.000 0.879 267 N CB 1.070 39.532 38.487 -0.042 0.000 1.557 267 N HN -0.323 8.079 8.380 0.037 0.000 0.524 268 K N -2.308 118.075 120.400 -0.027 0.000 2.228 268 K HA -0.330 nan 4.320 nan 0.000 0.205 268 K C 0.632 177.219 176.600 -0.021 0.000 1.045 268 K CA 2.643 58.922 56.287 -0.014 0.000 0.931 268 K CB -0.099 32.401 32.500 -0.001 0.000 0.727 268 K HN 0.316 8.551 8.250 -0.026 0.000 0.458 269 K N 0.454 120.816 120.400 -0.064 0.000 2.081 269 K HA -0.056 nan 4.320 nan 0.000 0.230 269 K C -0.907 175.684 176.600 -0.015 0.000 1.199 269 K CA -1.718 54.543 56.287 -0.043 0.000 1.130 269 K CB -2.157 30.284 32.500 -0.098 0.000 1.386 269 K HN -0.218 8.332 8.250 -0.123 -0.374 0.280 270 S N 4.026 119.723 115.700 -0.004 0.000 3.223 270 S HA -0.220 nan 4.470 nan 0.000 0.856 270 S C -0.977 173.627 174.600 0.008 0.000 1.073 270 S CA -0.203 57.998 58.200 0.002 0.000 1.177 270 S CB 0.280 63.478 63.200 -0.003 0.000 0.847 270 S HN 0.249 8.530 8.310 -0.001 0.028 0.266 271 P HA -0.039 nan 4.420 nan 0.000 0.234 271 P C -1.166 176.144 177.300 0.016 0.000 1.167 271 P CA 1.160 64.271 63.100 0.017 0.000 0.763 271 P CB -0.062 31.647 31.700 0.015 0.000 0.835 272 K N -4.526 115.879 120.400 0.008 0.000 2.372 272 K HA 0.060 nan 4.320 nan 0.000 0.200 272 K C 0.160 176.759 176.600 -0.001 0.000 1.022 272 K CA -0.450 55.838 56.287 0.001 0.000 1.125 272 K CB 0.334 32.831 32.500 -0.006 0.000 0.855 272 K HN -0.519 7.655 8.250 0.006 0.079 0.524 273 G N -0.724 108.085 108.800 0.015 0.000 2.712 273 G HA2 -0.394 nan 3.960 nan 0.000 0.683 273 G HA3 -0.394 nan 3.960 nan 0.000 0.683 273 G C -1.767 173.095 174.900 -0.063 0.000 1.320 273 G CA -0.405 44.707 45.100 0.020 0.000 0.847 273 G HN -0.550 7.599 8.290 0.022 0.154 0.553 274 K N 0.078 120.341 120.400 -0.228 0.000 2.306 274 K HA 0.070 nan 4.320 nan 0.000 0.200 274 K C 0.565 177.012 176.600 -0.256 0.000 1.083 274 K CA 0.287 56.397 56.287 -0.294 0.000 0.959 274 K CB 1.058 33.235 32.500 -0.539 0.000 0.994 274 K HN 0.254 8.304 8.250 -0.333 0.000 0.492 275 L N 0.146 121.176 121.223 -0.322 0.000 2.499 275 L HA -0.100 nan 4.340 nan 0.000 0.273 275 L C -0.553 176.239 176.870 -0.129 0.000 1.195 275 L CA 0.241 54.976 54.840 -0.175 0.000 0.882 275 L CB -0.132 41.860 42.059 -0.111 0.000 1.133 275 L HN -0.274 7.675 8.230 -0.467 0.000 0.483 276 R N 2.014 122.427 120.500 -0.145 0.000 2.438 276 R HA 0.056 nan 4.340 nan 0.000 0.287 276 R C 0.688 176.792 176.300 -0.326 0.000 1.077 276 R CA 0.568 56.505 56.100 -0.271 0.000 1.034 276 R CB 0.321 30.362 30.300 -0.432 0.000 0.993 276 R HN 0.299 8.881 8.270 -0.101 -0.373 0.459 277 L N 6.108 127.172 121.223 -0.265 0.000 1.976 277 L HA -0.258 nan 4.340 nan 0.000 0.209 277 L C 0.606 177.359 176.870 -0.195 0.000 1.071 277 L CA 3.668 58.401 54.840 -0.179 0.000 0.746 277 L CB 0.045 42.038 42.059 -0.111 0.000 0.890 277 L HN 0.853 8.835 8.230 -0.229 0.112 0.432 278 L N -3.516 117.543 121.223 -0.274 0.000 2.012 278 L HA -0.371 nan 4.340 nan 0.000 0.210 278 L C 0.923 177.762 176.870 -0.052 0.000 1.073 278 L CA 2.956 57.723 54.840 -0.122 0.000 0.748 278 L CB 0.051 42.078 42.059 -0.052 0.000 0.891 278 L HN 0.004 8.029 8.230 -0.341 0.000 0.431 279 Y N -11.310 109.013 120.300 0.038 0.000 2.481 279 Y HA 0.108 nan 4.550 nan 0.000 0.247 279 Y C -0.718 175.195 175.900 0.021 0.000 1.151 279 Y CA -1.703 56.417 58.100 0.034 0.000 1.238 279 Y CB -0.064 38.404 38.460 0.014 0.000 1.179 279 Y HN -0.504 7.059 8.280 -1.195 0.000 0.524 280 E N -0.681 119.506 120.200 -0.021 0.000 2.629 280 E HA 0.091 nan 4.350 nan 0.000 0.197 280 E C 1.484 178.074 176.600 -0.016 0.000 0.955 280 E CA 1.248 57.657 56.400 0.014 0.000 1.191 280 E CB 1.957 31.663 29.700 0.011 0.000 1.175 280 E HN -0.676 7.554 8.360 -0.215 0.000 0.501 281 C N 0.804 120.081 119.300 -0.039 0.000 2.476 281 C HA -0.175 nan 4.460 nan 0.000 0.278 281 C C 1.735 176.735 174.990 0.017 0.000 1.274 281 C CA 4.648 63.665 59.018 -0.001 0.000 1.713 281 C CB -1.089 26.647 27.740 -0.005 0.000 2.039 281 C HN 0.170 8.345 8.230 -0.091 0.000 0.484 282 N N 0.402 119.110 118.700 0.013 0.000 2.043 282 N HA -0.197 nan 4.740 nan 0.000 0.193 282 N C -1.108 174.435 175.510 0.054 0.000 1.037 282 N CA 4.881 57.961 53.050 0.050 0.000 0.851 282 N CB -1.683 36.846 38.487 0.069 0.000 1.027 282 N HN 0.030 8.401 8.380 -0.014 0.000 0.422 283 P HA -0.261 nan 4.420 nan 0.000 0.216 283 P C 1.290 178.619 177.300 0.048 0.000 1.153 283 P CA 3.183 66.261 63.100 -0.037 0.000 0.858 283 P CB -0.222 31.422 31.700 -0.092 0.000 0.789 284 M N -3.798 115.824 119.600 0.037 0.000 2.200 284 M HA -0.202 nan 4.480 nan 0.000 0.265 284 M C 2.185 178.527 176.300 0.070 0.000 1.066 284 M CA 1.610 56.936 55.300 0.044 0.000 1.127 284 M CB -1.266 31.314 32.600 -0.033 0.000 1.379 284 M HN -0.777 7.521 8.290 0.013 0.000 0.420 285 A N 0.040 122.905 122.820 0.074 0.000 1.933 285 A HA -0.270 nan 4.320 nan 0.000 0.218 285 A C 1.745 179.375 177.584 0.078 0.000 1.175 285 A CA 3.134 55.213 52.037 0.070 0.000 0.628 285 A CB -1.040 18.000 19.000 0.067 0.000 0.814 285 A HN 0.583 8.666 8.150 0.065 0.106 0.444 286 Y N -0.781 119.518 120.300 -0.003 0.000 2.220 286 Y HA -0.420 nan 4.550 nan 0.000 0.291 286 Y C 1.989 177.886 175.900 -0.005 0.000 1.129 286 Y CA 4.128 62.223 58.100 -0.008 0.000 1.161 286 Y CB 0.352 38.794 38.460 -0.031 0.000 0.997 286 Y HN 0.154 8.463 8.280 0.212 0.097 0.522 287 V N 0.386 120.422 119.914 0.203 0.000 2.295 287 V HA -0.545 nan 4.120 nan 0.000 0.246 287 V C 2.263 178.377 176.094 0.033 0.000 1.049 287 V CA 4.829 67.205 62.300 0.126 0.000 1.024 287 V CB -0.846 31.075 31.823 0.163 0.000 0.648 287 V HN 0.135 8.463 8.190 0.230 0.000 0.447 288 M N -1.831 117.790 119.600 0.036 0.000 2.065 288 M HA -0.451 nan 4.480 nan 0.000 0.259 288 M C 2.487 178.769 176.300 -0.031 0.000 1.069 288 M CA 2.523 57.831 55.300 0.013 0.000 1.110 288 M CB -1.459 31.158 32.600 0.028 0.000 1.328 288 M HN 0.097 8.424 8.290 0.062 0.000 0.405 289 E N -0.312 119.846 120.200 -0.071 0.000 2.085 289 E HA -0.361 nan 4.350 nan 0.000 0.194 289 E C 2.996 179.514 176.600 -0.138 0.000 0.994 289 E CA 3.130 59.466 56.400 -0.107 0.000 0.801 289 E CB -0.248 29.368 29.700 -0.140 0.000 0.743 289 E HN 0.098 8.420 8.360 -0.062 0.000 0.453 290 K N -1.609 118.669 120.400 -0.203 0.000 2.280 290 K HA -0.219 nan 4.320 nan 0.000 0.202 290 K C 1.605 178.161 176.600 -0.073 0.000 1.047 290 K CA 1.905 58.094 56.287 -0.162 0.000 0.942 290 K CB -0.557 31.838 32.500 -0.175 0.000 0.739 290 K HN -0.164 7.927 8.250 -0.264 0.000 0.457 291 A N -5.254 117.535 122.820 -0.051 0.000 2.251 291 A HA 0.137 nan 4.320 nan 0.000 0.209 291 A C -0.165 177.403 177.584 -0.026 0.000 1.187 291 A CA 0.120 52.141 52.037 -0.027 0.000 0.823 291 A CB 0.105 19.099 19.000 -0.010 0.000 0.846 291 A HN -0.282 7.691 8.150 -0.056 0.143 0.486 292 G N -3.908 104.872 108.800 -0.034 0.000 2.140 292 G HA2 -0.282 nan 3.960 nan 0.000 0.211 292 G HA3 -0.282 nan 3.960 nan 0.000 0.211 292 G C -0.518 174.373 174.900 -0.015 0.000 1.013 292 G CA -0.279 44.806 45.100 -0.025 0.000 0.705 292 G HN -0.211 7.851 8.290 -0.049 0.199 0.508 293 G N -0.722 108.070 108.800 -0.013 0.000 3.175 293 G HA2 0.796 nan 3.960 nan 0.000 0.255 293 G HA3 0.796 nan 3.960 nan 0.000 0.255 293 G C -2.042 172.857 174.900 -0.001 0.000 1.352 293 G CA -1.160 43.941 45.100 0.002 0.000 1.037 293 G HN -0.149 8.030 8.290 -0.022 0.098 0.556 294 L N -2.045 119.185 121.223 0.012 0.000 2.309 294 L HA 0.357 nan 4.340 nan 0.000 0.261 294 L C -2.064 174.818 176.870 0.019 0.000 1.021 294 L CA -1.112 53.732 54.840 0.007 0.000 0.823 294 L CB 3.875 45.936 42.059 0.004 0.000 1.366 294 L HN -0.121 8.124 8.230 0.024 0.000 0.423 295 A N -1.297 121.531 122.820 0.012 0.000 2.476 295 A HA 0.654 nan 4.320 nan 0.000 0.280 295 A C -2.122 175.464 177.584 0.002 0.000 1.081 295 A CA -0.363 51.688 52.037 0.024 0.000 0.753 295 A CB 2.131 21.151 19.000 0.034 0.000 1.248 295 A HN 0.184 8.335 8.150 0.001 0.000 0.424 296 T N 4.401 118.947 114.554 -0.013 0.000 2.883 296 T HA 0.671 nan 4.350 nan 0.000 0.296 296 T C -0.484 174.173 174.700 -0.072 0.000 1.117 296 T CA -1.897 60.172 62.100 -0.051 0.000 1.006 296 T CB 3.381 72.200 68.868 -0.081 0.000 1.191 296 T HN 0.664 8.797 8.240 -0.002 0.106 0.508 297 T N 0.805 115.296 114.554 -0.105 0.000 3.107 297 T HA 0.377 nan 4.350 nan 0.000 0.249 297 T C 1.007 175.552 174.700 -0.258 0.000 1.096 297 T CA -1.044 60.981 62.100 -0.124 0.000 1.012 297 T CB 0.553 69.361 68.868 -0.100 0.000 0.977 297 T HN 0.648 8.827 8.240 -0.102 0.000 0.527 298 G N 1.781 110.372 108.800 -0.348 0.000 2.376 298 G HA2 -0.284 nan 3.960 nan 0.000 0.208 298 G HA3 -0.284 nan 3.960 nan 0.000 0.208 298 G C -0.105 174.475 174.900 -0.533 0.000 1.032 298 G CA 0.417 45.081 45.100 -0.726 0.000 0.641 298 G HN 0.160 8.224 8.290 -0.242 0.081 0.503 299 K N 0.665 120.872 120.400 -0.322 0.000 2.240 299 K HA 0.064 nan 4.320 nan 0.000 0.202 299 K C -0.303 176.228 176.600 -0.115 0.000 1.053 299 K CA 1.122 57.299 56.287 -0.183 0.000 0.973 299 K CB 1.514 33.935 32.500 -0.131 0.000 0.924 299 K HN -0.327 7.648 8.250 -0.294 0.099 0.477 300 E N -2.227 117.911 120.200 -0.103 0.000 2.392 300 E HA 0.246 nan 4.350 nan 0.000 0.269 300 E C -2.104 174.463 176.600 -0.055 0.000 0.924 300 E CA -2.125 54.237 56.400 -0.064 0.000 0.784 300 E CB 3.040 32.713 29.700 -0.046 0.000 1.292 300 E HN -0.649 7.638 8.360 -0.122 0.000 0.447 301 A N -0.799 122.000 122.820 -0.034 0.000 2.409 301 A HA 0.154 nan 4.320 nan 0.000 0.262 301 A C 1.292 178.870 177.584 -0.010 0.000 1.113 301 A CA 0.081 52.105 52.037 -0.021 0.000 0.790 301 A CB 0.469 19.462 19.000 -0.011 0.000 1.046 301 A HN 0.389 8.522 8.150 -0.029 0.000 0.496 302 V N 4.713 124.626 119.914 -0.002 0.000 2.392 302 V HA -0.408 nan 4.120 nan 0.000 0.249 302 V C 1.878 177.989 176.094 0.028 0.000 1.059 302 V CA 4.035 66.341 62.300 0.009 0.000 1.051 302 V CB -0.536 31.299 31.823 0.020 0.000 0.658 302 V HN 0.075 8.262 8.190 -0.004 0.000 0.455 303 L N -3.445 117.802 121.223 0.041 0.000 2.265 303 L HA -0.337 nan 4.340 nan 0.000 0.215 303 L C 1.325 178.230 176.870 0.059 0.000 1.117 303 L CA 2.516 57.398 54.840 0.069 0.000 0.782 303 L CB -0.766 41.340 42.059 0.078 0.000 0.914 303 L HN -0.052 8.177 8.230 0.031 0.019 0.441 304 D N -2.855 117.564 120.400 0.032 0.000 2.350 304 D HA -0.040 nan 4.640 nan 0.000 0.213 304 D C 0.182 176.490 176.300 0.013 0.000 1.031 304 D CA 0.956 54.970 54.000 0.023 0.000 0.861 304 D CB 0.333 41.140 40.800 0.012 0.000 0.926 304 D HN -0.652 7.573 8.370 0.021 0.158 0.520 305 I N 1.416 121.991 120.570 0.009 0.000 2.618 305 I HA -0.231 nan 4.170 nan 0.000 0.284 305 I C -0.880 175.235 176.117 -0.002 0.000 1.146 305 I CA 0.856 62.154 61.300 -0.002 0.000 1.425 305 I CB 0.657 38.651 38.000 -0.009 0.000 1.383 305 I HN -0.867 7.307 8.210 0.014 0.044 0.562 306 V N 7.490 127.397 119.914 -0.011 0.000 2.368 306 V HA 0.155 nan 4.120 nan 0.000 0.266 306 V C -1.275 174.802 176.094 -0.029 0.000 1.045 306 V CA -3.162 59.126 62.300 -0.020 0.000 0.899 306 V CB -0.087 31.724 31.823 -0.020 0.000 1.006 306 V HN 0.179 8.362 8.190 -0.012 0.000 0.470 307 P HA 0.255 nan 4.420 nan 0.000 0.269 307 P C -1.224 176.048 177.300 -0.046 0.000 1.215 307 P CA 0.272 63.344 63.100 -0.046 0.000 0.780 307 P CB 0.682 32.346 31.700 -0.061 0.000 0.898 308 T N 0.160 114.689 114.554 -0.041 0.000 3.041 308 T HA 0.147 nan 4.350 nan 0.000 0.276 308 T C -1.308 173.371 174.700 -0.034 0.000 0.948 308 T CA 0.616 62.695 62.100 -0.035 0.000 0.885 308 T CB 1.360 70.214 68.868 -0.024 0.000 1.175 308 T HN 0.452 9.043 8.240 -0.040 -0.375 0.529 309 D N 0.201 120.576 120.400 -0.042 0.000 2.927 309 D HA 0.285 nan 4.640 nan 0.000 0.219 309 D C -0.024 176.228 176.300 -0.081 0.000 1.248 309 D CA -0.786 53.190 54.000 -0.041 0.000 0.861 309 D CB 2.473 43.267 40.800 -0.011 0.000 1.677 309 D HN -0.769 7.693 8.370 -0.049 -0.121 0.511 310 I N -1.103 119.387 120.570 -0.135 0.000 2.454 310 I HA -0.186 nan 4.170 nan 0.000 0.254 310 I C 0.135 176.048 176.117 -0.340 0.000 1.156 310 I CA 2.020 63.174 61.300 -0.243 0.000 1.433 310 I CB 0.126 37.941 38.000 -0.309 0.000 1.082 310 I HN 0.689 8.833 8.210 -0.111 0.000 0.432 311 H N -2.304 116.786 119.070 0.034 0.000 2.488 311 H HA 0.225 nan 4.556 nan 0.000 0.294 311 H C -1.006 174.300 175.328 -0.037 0.000 1.088 311 H CA -1.124 54.944 56.048 0.033 0.000 1.086 311 H CB -1.323 28.488 29.762 0.081 0.000 1.569 311 H HN -0.582 7.893 8.280 -0.081 -0.244 0.548 312 Q N 1.178 120.971 119.800 -0.011 0.000 2.364 312 Q HA -0.098 nan 4.340 nan 0.000 0.267 312 Q C -1.279 174.685 176.000 -0.061 0.000 0.999 312 Q CA 0.263 56.049 55.803 -0.027 0.000 0.886 312 Q CB 1.186 29.897 28.738 -0.044 0.000 1.243 312 Q HN -0.750 7.323 8.270 -0.060 0.161 0.415 313 R N 3.347 123.820 120.500 -0.044 0.000 2.691 313 R HA 0.848 nan 4.340 nan 0.000 0.259 313 R C -1.294 174.974 176.300 -0.054 0.000 1.048 313 R CA -1.016 55.047 56.100 -0.063 0.000 1.086 313 R CB 2.931 33.200 30.300 -0.051 0.000 1.166 313 R HN 0.277 8.533 8.270 -0.025 0.000 0.526 314 A N -0.023 122.764 122.820 -0.055 0.000 2.577 314 A HA 0.313 nan 4.320 nan 0.000 0.297 314 A C -3.048 174.525 177.584 -0.017 0.000 1.060 314 A CA -1.768 50.248 52.037 -0.035 0.000 0.697 314 A CB 1.383 20.362 19.000 -0.035 0.000 1.281 314 A HN 0.377 8.485 8.150 -0.069 0.000 0.402 315 P HA 0.142 nan 4.420 nan 0.000 0.272 315 P C -1.856 175.458 177.300 0.023 0.000 1.230 315 P CA -0.495 62.620 63.100 0.026 0.000 0.788 315 P CB 0.773 32.473 31.700 -0.000 0.000 0.949 316 I N 0.405 121.011 120.570 0.062 0.000 2.775 316 I HA 0.366 nan 4.170 nan 0.000 0.295 316 I C -2.365 173.793 176.117 0.067 0.000 1.287 316 I CA -0.954 60.388 61.300 0.070 0.000 1.029 316 I CB 4.150 42.225 38.000 0.125 0.000 1.282 316 I HN 0.034 8.304 8.210 0.100 0.000 0.426 317 I N 5.608 126.206 120.570 0.047 0.000 2.569 317 I HA 0.837 nan 4.170 nan 0.000 0.290 317 I C -2.173 173.994 176.117 0.083 0.000 1.088 317 I CA -1.011 60.308 61.300 0.030 0.000 1.047 317 I CB 2.982 40.952 38.000 -0.049 0.000 1.237 317 I HN 0.606 8.837 8.210 0.034 0.000 0.421 318 L N 1.254 122.569 121.223 0.155 0.000 2.469 318 L HA 0.957 nan 4.340 nan 0.000 0.256 318 L C -1.655 175.305 176.870 0.149 0.000 1.006 318 L CA -1.564 53.360 54.840 0.140 0.000 0.832 318 L CB 2.923 45.077 42.059 0.158 0.000 1.421 318 L HN 0.722 9.071 8.230 0.198 0.000 0.410 319 G N -2.420 106.442 108.800 0.103 0.000 2.302 319 G HA2 -0.097 nan 3.960 nan 0.000 0.264 319 G HA3 -0.097 nan 3.960 nan 0.000 0.264 319 G C -1.874 173.069 174.900 0.072 0.000 1.335 319 G CA 0.311 45.473 45.100 0.104 0.000 0.982 319 G HN 0.018 8.353 8.290 0.076 0.000 0.473 320 S N 2.218 117.964 115.700 0.076 0.000 2.563 320 S HA 0.127 nan 4.470 nan 0.000 0.294 320 S C -0.244 174.390 174.600 0.057 0.000 1.279 320 S CA -0.366 57.867 58.200 0.055 0.000 1.069 320 S CB -0.550 62.685 63.200 0.058 0.000 0.828 320 S HN 0.129 8.496 8.310 0.095 0.000 0.497 321 P HA -0.233 nan 4.420 nan 0.000 0.216 321 P C 1.511 178.837 177.300 0.043 0.000 1.153 321 P CA 2.676 65.795 63.100 0.031 0.000 0.858 321 P CB 0.249 31.959 31.700 0.017 0.000 0.789 322 E N -2.279 117.953 120.200 0.053 0.000 2.153 322 E HA -0.329 nan 4.350 nan 0.000 0.194 322 E C 2.596 179.257 176.600 0.102 0.000 0.988 322 E CA 3.128 59.569 56.400 0.068 0.000 0.811 322 E CB -0.544 29.197 29.700 0.068 0.000 0.746 322 E HN -0.070 8.319 8.360 0.047 0.000 0.466 323 D N 0.102 120.581 120.400 0.132 0.000 2.162 323 D HA -0.077 nan 4.640 nan 0.000 0.203 323 D C 2.327 178.681 176.300 0.090 0.000 0.967 323 D CA 3.117 57.234 54.000 0.194 0.000 0.840 323 D CB 0.132 41.103 40.800 0.284 0.000 0.972 323 D HN -0.557 7.760 8.370 0.115 0.122 0.482 324 V N -0.337 119.606 119.914 0.048 0.000 2.427 324 V HA -0.327 nan 4.120 nan 0.000 0.248 324 V C 2.205 178.289 176.094 -0.017 0.000 1.051 324 V CA 4.286 66.578 62.300 -0.014 0.000 1.048 324 V CB -0.841 30.984 31.823 0.004 0.000 0.666 324 V HN 0.172 8.402 8.190 0.068 0.000 0.456 325 T N -1.835 112.729 114.554 0.017 0.000 2.821 325 T HA -0.392 nan 4.350 nan 0.000 0.267 325 T C 1.381 176.100 174.700 0.032 0.000 1.046 325 T CA 4.423 66.535 62.100 0.021 0.000 1.139 325 T CB -0.613 68.272 68.868 0.028 0.000 0.871 325 T HN 0.371 8.630 8.240 0.032 0.000 0.454 326 E N 2.745 122.978 120.200 0.055 0.000 2.085 326 E HA -0.364 nan 4.350 nan 0.000 0.194 326 E C 1.769 178.407 176.600 0.062 0.000 0.994 326 E CA 2.888 59.341 56.400 0.089 0.000 0.801 326 E CB -0.142 29.658 29.700 0.167 0.000 0.743 326 E HN -0.627 7.773 8.360 0.067 0.000 0.453 327 L N -0.473 120.709 121.223 -0.069 0.000 2.141 327 L HA -0.219 nan 4.340 nan 0.000 0.209 327 L C 1.664 178.550 176.870 0.026 0.000 1.094 327 L CA 2.802 57.519 54.840 -0.205 0.000 0.763 327 L CB -0.134 41.559 42.059 -0.609 0.000 0.908 327 L HN -0.580 7.592 8.230 -0.097 0.000 0.437 328 L N -1.311 119.941 121.223 0.048 0.000 2.083 328 L HA -0.524 nan 4.340 nan 0.000 0.209 328 L C 2.199 179.139 176.870 0.117 0.000 1.083 328 L CA 3.437 58.339 54.840 0.103 0.000 0.752 328 L CB -0.600 41.475 42.059 0.028 0.000 0.899 328 L HN -0.047 8.094 8.230 -0.002 0.088 0.433 329 E N -0.272 119.973 120.200 0.076 0.000 2.077 329 E HA -0.380 nan 4.350 nan 0.000 0.193 329 E C 2.587 179.239 176.600 0.087 0.000 0.989 329 E CA 3.342 59.785 56.400 0.071 0.000 0.800 329 E CB -0.198 29.535 29.700 0.055 0.000 0.746 329 E HN -0.092 8.210 8.360 0.058 0.092 0.452 330 I N -0.057 120.557 120.570 0.072 0.000 2.286 330 I HA -0.490 nan 4.170 nan 0.000 0.248 330 I C 2.061 178.217 176.117 0.066 0.000 1.115 330 I CA 3.994 65.331 61.300 0.061 0.000 1.392 330 I CB -0.123 37.862 38.000 -0.024 0.000 1.065 330 I HN -0.637 7.536 8.210 0.060 0.073 0.418 331 Y N -0.759 119.547 120.300 0.010 0.000 2.274 331 Y HA -0.438 nan 4.550 nan 0.000 0.290 331 Y C 1.840 177.771 175.900 0.052 0.000 1.145 331 Y CA 3.610 61.709 58.100 -0.002 0.000 1.203 331 Y CB -0.335 38.097 38.460 -0.046 0.000 0.984 331 Y HN -0.209 8.068 8.280 0.136 0.084 0.533 332 Q N -1.643 118.275 119.800 0.196 0.000 2.049 332 Q HA -0.311 nan 4.340 nan 0.000 0.198 332 Q C 1.948 178.012 176.000 0.106 0.000 0.971 332 Q CA 2.588 58.466 55.803 0.126 0.000 0.833 332 Q CB 0.185 28.973 28.738 0.083 0.000 0.896 332 Q HN -0.168 8.095 8.270 0.182 0.117 0.434 333 K N 1.396 121.859 120.400 0.106 0.000 2.113 333 K HA -0.313 nan 4.320 nan 0.000 0.208 333 K C 1.697 178.292 176.600 -0.010 0.000 1.047 333 K CA 2.686 58.998 56.287 0.041 0.000 0.928 333 K CB -0.092 32.432 32.500 0.040 0.000 0.716 333 K HN -0.025 8.229 8.250 0.121 0.068 0.446 334 H N -3.042 116.026 119.070 -0.004 0.000 2.538 334 H HA 0.096 nan 4.556 nan 0.000 0.286 334 H C -0.728 174.616 175.328 0.027 0.000 1.035 334 H CA -0.450 55.596 56.048 -0.004 0.000 1.169 334 H CB -0.148 29.591 29.762 -0.039 0.000 1.417 334 H HN -0.317 8.154 8.280 0.338 0.012 0.567 335 A N 0.000 122.897 122.820 0.129 0.000 2.254 335 A HA 0.000 nan 4.320 nan 0.000 0.244 335 A CA 0.000 52.096 52.037 0.098 0.000 0.836 335 A CB 0.000 19.047 19.000 0.079 0.000 0.831 335 A HN 0.000 8.004 8.150 0.104 0.209 0.486