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 3bp1_1_A DATA FIRST_RESID 27 DATA SEQUENCE YANQYDPSLL QPVPRSLNRN DLHLSATLPF QGCDIWTLYE LSWLNQKGLP DATA SEQUENCE QVAIGEVSIP ATSANLIESK SFKLYLNSYN QTRFASWDEV QTRLVHDLSA DATA SEQUENCE CAGETVTVNV KSLNEYTAEP IVTXQGECID DQDIEIANYE FDDALLQGAA DATA SEQUENCE QGEEVSEVLH SHLLKSNXXX XXXPDWGSVE IAYHGAKXNR EALLRYLVSF DATA SEQUENCE REHNEFHEQC VERIFTDIXR YCQPQSLTVY ARYTRRGGLD INPFRSSHQS DATA SEQUENCE APNHNQRXAR Q 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 27 Y HA 0.000 nan 4.550 nan 0.000 0.201 27 Y C 0.000 175.907 175.900 0.012 0.000 1.272 27 Y CA 0.000 58.105 58.100 0.008 0.000 1.940 27 Y CB 0.000 38.463 38.460 0.005 0.000 1.050 28 A N 3.743 126.629 122.820 0.110 0.000 2.561 28 A HA 0.121 4.441 4.320 -0.000 0.000 0.234 28 A C 0.549 178.199 177.584 0.110 0.000 1.055 28 A CA -0.062 52.029 52.037 0.090 0.000 0.756 28 A CB 0.090 19.132 19.000 0.069 0.000 0.986 28 A HN 0.773 nan 8.150 nan 0.000 0.505 29 N N 2.916 121.667 118.700 0.084 0.000 2.492 29 N HA 0.056 4.796 4.740 -0.000 0.000 0.260 29 N C -0.177 175.376 175.510 0.071 0.000 1.215 29 N CA 0.159 53.252 53.050 0.070 0.000 0.923 29 N CB 0.674 39.193 38.487 0.053 0.000 1.092 29 N HN 0.752 nan 8.380 nan 0.000 0.448 30 Q N 0.442 120.276 119.800 0.056 0.000 2.293 30 Q HA 0.122 4.462 4.340 -0.000 0.000 0.216 30 Q C -0.786 175.252 176.000 0.064 0.000 1.003 30 Q CA -0.972 54.866 55.803 0.058 0.000 0.995 30 Q CB 0.694 29.449 28.738 0.027 0.000 1.172 30 Q HN 0.642 nan 8.270 nan 0.000 0.518 31 Y N 1.937 122.177 120.300 -0.101 0.000 2.954 31 Y HA -0.190 4.360 4.550 -0.000 0.000 0.351 31 Y C -0.723 175.153 175.900 -0.039 0.000 1.282 31 Y CA 0.985 58.999 58.100 -0.143 0.000 1.614 31 Y CB 0.158 38.486 38.460 -0.220 0.000 1.183 31 Y HN 0.378 nan 8.280 nan 0.000 0.566 32 D N 8.756 128.915 120.400 -0.400 0.000 2.328 32 D HA 0.251 4.891 4.640 -0.000 0.000 0.243 32 D C -2.340 173.845 176.300 -0.193 0.000 1.324 32 D CA -1.866 51.960 54.000 -0.290 0.000 0.966 32 D CB 1.327 42.080 40.800 -0.080 0.000 1.324 32 D HN 0.269 nan 8.370 nan 0.000 0.549 33 P HA -0.092 nan 4.420 nan 0.000 0.225 33 P C 1.277 178.498 177.300 -0.133 0.000 1.148 33 P CA 0.647 63.666 63.100 -0.134 0.000 0.779 33 P CB 0.097 31.704 31.700 -0.155 0.000 0.780 34 S N -0.849 114.790 115.700 -0.101 0.000 2.507 34 S HA -0.055 4.415 4.470 -0.000 0.000 0.235 34 S C 1.826 176.394 174.600 -0.053 0.000 0.988 34 S CA 0.501 58.656 58.200 -0.075 0.000 0.944 34 S CB -1.499 61.669 63.200 -0.054 0.000 0.762 34 S HN 0.095 nan 8.310 nan 0.000 0.526 35 L N 0.399 121.614 121.223 -0.013 0.000 2.201 35 L HA 0.169 4.509 4.340 -0.000 0.000 0.212 35 L C 0.892 177.751 176.870 -0.018 0.000 1.105 35 L CA 0.392 55.248 54.840 0.025 0.000 0.775 35 L CB -0.498 41.628 42.059 0.112 0.000 0.913 35 L HN 0.304 nan 8.230 nan 0.000 0.440 36 L N 1.273 122.420 121.223 -0.126 0.000 2.453 36 L HA 0.015 4.355 4.340 -0.000 0.000 0.272 36 L C 0.039 176.817 176.870 -0.153 0.000 1.182 36 L CA 0.290 54.992 54.840 -0.229 0.000 0.858 36 L CB 0.288 42.061 42.059 -0.477 0.000 1.120 36 L HN 0.194 nan 8.230 nan 0.000 0.474 37 Q N 5.003 124.735 119.800 -0.114 0.000 2.320 37 Q HA 0.382 4.722 4.340 -0.000 0.000 0.268 37 Q C -2.421 173.544 176.000 -0.058 0.000 1.023 37 Q CA -1.949 53.816 55.803 -0.063 0.000 0.744 37 Q CB 1.971 30.703 28.738 -0.009 0.000 1.246 37 Q HN 0.337 nan 8.270 nan 0.000 0.462 38 P HA 0.165 nan 4.420 nan 0.000 0.271 38 P C -0.484 176.817 177.300 0.003 0.000 1.218 38 P CA -0.249 62.820 63.100 -0.051 0.000 0.780 38 P CB 1.104 32.763 31.700 -0.069 0.000 0.901 39 V N 4.290 124.226 119.914 0.037 0.000 2.483 39 V HA 0.289 4.409 4.120 -0.000 0.000 0.297 39 V C -2.353 173.757 176.094 0.026 0.000 1.027 39 V CA -2.240 60.086 62.300 0.043 0.000 0.855 39 V CB 1.757 33.642 31.823 0.103 0.000 0.995 39 V HN 0.462 nan 8.190 nan 0.000 0.424 40 P HA 0.238 nan 4.420 nan 0.000 0.267 40 P C 0.649 177.954 177.300 0.008 0.000 1.205 40 P CA 0.000 63.101 63.100 0.001 0.000 0.765 40 P CB 0.606 32.299 31.700 -0.011 0.000 0.828 41 R N 1.750 122.267 120.500 0.029 0.000 2.148 41 R HA -0.101 4.239 4.340 -0.000 0.000 0.227 41 R C 2.056 178.373 176.300 0.029 0.000 1.103 41 R CA 1.818 57.945 56.100 0.045 0.000 0.983 41 R CB -0.566 29.779 30.300 0.075 0.000 0.874 41 R HN 0.590 nan 8.270 nan 0.000 0.451 42 S N 0.932 116.641 115.700 0.015 0.000 2.419 42 S HA -0.122 4.348 4.470 -0.000 0.000 0.233 42 S C 1.927 176.519 174.600 -0.013 0.000 1.016 42 S CA 0.629 58.833 58.200 0.006 0.000 0.974 42 S CB -0.234 62.967 63.200 0.001 0.000 0.786 42 S HN 0.113 nan 8.310 nan 0.000 0.492 43 L N 2.721 123.928 121.223 -0.027 0.000 1.990 43 L HA -0.019 4.321 4.340 -0.000 0.000 0.213 43 L C 1.832 178.663 176.870 -0.066 0.000 1.072 43 L CA 1.845 56.655 54.840 -0.051 0.000 0.755 43 L CB -1.044 40.973 42.059 -0.070 0.000 0.889 43 L HN 0.304 nan 8.230 nan 0.000 0.432 44 N N -1.090 117.566 118.700 -0.072 0.000 2.336 44 N HA 0.046 4.786 4.740 -0.000 0.000 0.189 44 N C 1.663 177.155 175.510 -0.029 0.000 1.113 44 N CA 0.173 53.179 53.050 -0.074 0.000 0.858 44 N CB 0.173 38.589 38.487 -0.118 0.000 0.970 44 N HN 0.371 nan 8.380 nan 0.000 0.471 45 R N 0.313 120.811 120.500 -0.002 0.000 2.193 45 R HA 0.052 4.392 4.340 -0.000 0.000 0.213 45 R C 1.494 177.774 176.300 -0.033 0.000 1.055 45 R CA 0.536 56.649 56.100 0.022 0.000 0.995 45 R CB -0.025 30.310 30.300 0.058 0.000 0.893 45 R HN 0.098 nan 8.270 nan 0.000 0.459 46 N N 1.056 119.725 118.700 -0.051 0.000 2.223 46 N HA -0.142 4.598 4.740 -0.000 0.000 0.185 46 N C 0.827 176.216 175.510 -0.201 0.000 1.016 46 N CA 1.279 54.285 53.050 -0.073 0.000 0.863 46 N CB -0.016 38.449 38.487 -0.036 0.000 0.983 46 N HN 0.115 nan 8.380 nan 0.000 0.429 47 D N -0.349 119.930 120.400 -0.202 0.000 2.348 47 D HA -0.040 4.600 4.640 -0.000 0.000 0.216 47 D C 1.213 177.209 176.300 -0.507 0.000 0.970 47 D CA 0.463 54.279 54.000 -0.306 0.000 0.889 47 D CB 0.135 40.863 40.800 -0.120 0.000 0.912 47 D HN 0.416 nan 8.370 nan 0.000 0.524 48 L N -0.452 120.571 121.223 -0.334 0.000 2.607 48 L HA 0.106 4.446 4.340 -0.000 0.000 0.228 48 L C -0.315 176.483 176.870 -0.122 0.000 1.123 48 L CA -0.128 54.620 54.840 -0.154 0.000 0.890 48 L CB -0.574 41.516 42.059 0.051 0.000 1.103 48 L HN 0.045 nan 8.230 nan 0.000 0.468 49 H N -0.773 118.332 119.070 0.059 0.000 2.592 49 H HA -0.160 4.396 4.556 -0.000 0.000 0.323 49 H C 0.130 175.474 175.328 0.027 0.000 1.117 49 H CA -0.087 55.982 56.048 0.036 0.000 1.120 49 H CB -2.030 27.751 29.762 0.031 0.000 1.561 49 H HN 0.257 nan 8.280 nan 0.000 0.409 50 L N 0.005 121.270 121.223 0.069 0.000 2.479 50 L HA 0.198 4.538 4.340 -0.000 0.000 0.248 50 L C 1.165 178.042 176.870 0.013 0.000 1.205 50 L CA -0.250 54.605 54.840 0.026 0.000 0.817 50 L CB 0.551 42.589 42.059 -0.034 0.000 1.162 50 L HN 0.371 nan 8.230 nan 0.000 0.486 51 S N 0.006 115.695 115.700 -0.019 0.000 2.625 51 S HA 0.168 4.638 4.470 -0.000 0.000 0.258 51 S C 1.081 175.664 174.600 -0.028 0.000 1.256 51 S CA -0.115 58.074 58.200 -0.019 0.000 0.983 51 S CB 0.593 63.777 63.200 -0.027 0.000 1.032 51 S HN 0.699 nan 8.310 nan 0.000 0.572 52 A N 0.793 123.599 122.820 -0.023 0.000 1.855 52 A HA 0.059 4.379 4.320 -0.000 0.000 0.215 52 A C 1.347 178.907 177.584 -0.038 0.000 1.191 52 A CA 1.438 53.462 52.037 -0.023 0.000 0.613 52 A CB -1.481 17.511 19.000 -0.015 0.000 0.829 52 A HN 0.827 nan 8.150 nan 0.000 0.442 53 T N -0.937 113.589 114.554 -0.047 0.000 2.922 53 T HA 0.585 4.935 4.350 -0.000 0.000 0.285 53 T C 0.038 174.662 174.700 -0.127 0.000 1.005 53 T CA -0.740 61.320 62.100 -0.066 0.000 1.061 53 T CB 1.061 69.901 68.868 -0.047 0.000 1.007 53 T HN 0.203 nan 8.240 nan 0.000 0.502 54 L N 3.287 124.400 121.223 -0.182 0.000 2.456 54 L HA 0.198 4.538 4.340 -0.000 0.000 0.272 54 L C -0.763 175.873 176.870 -0.389 0.000 1.189 54 L CA -1.566 53.038 54.840 -0.394 0.000 0.846 54 L CB 0.456 42.256 42.059 -0.432 0.000 1.111 54 L HN 0.624 nan 8.230 nan 0.000 0.475 55 P HA 0.025 nan 4.420 nan 0.000 0.249 55 P C -0.642 176.553 177.300 -0.175 0.000 1.229 55 P CA 0.508 63.473 63.100 -0.224 0.000 0.788 55 P CB 0.024 31.697 31.700 -0.045 0.000 1.072 56 F N -0.906 118.949 119.950 -0.159 0.000 2.643 56 F HA 0.671 5.198 4.527 0.000 0.000 0.314 56 F C -0.356 175.349 175.800 -0.158 0.000 1.096 56 F CA -1.710 56.096 58.000 -0.324 0.000 0.953 56 F CB 0.669 39.110 39.000 -0.932 0.000 1.345 56 F HN -0.208 nan 8.300 nan 0.000 0.468 57 Q N 0.870 120.788 119.800 0.198 0.000 2.633 57 Q HA 0.938 5.278 4.340 -0.000 0.000 0.292 57 Q C -0.444 175.645 176.000 0.149 0.000 1.089 57 Q CA -0.914 54.993 55.803 0.174 0.000 0.811 57 Q CB 2.650 31.461 28.738 0.122 0.000 1.472 57 Q HN 1.587 nan 8.270 nan 0.000 0.464 58 G N -0.674 108.222 108.800 0.160 0.000 2.302 58 G HA2 0.293 4.253 3.960 -0.000 0.000 0.264 58 G HA3 0.293 4.253 3.960 -0.000 0.000 0.264 58 G C -1.083 173.908 174.900 0.151 0.000 1.335 58 G CA -0.351 44.890 45.100 0.234 0.000 0.982 58 G HN 1.540 nan 8.290 nan 0.000 0.473 59 C N -1.640 117.765 119.300 0.174 0.000 3.312 59 C HA 0.801 5.261 4.460 -0.000 0.000 0.332 59 C C -1.824 173.269 174.990 0.172 0.000 1.340 59 C CA -1.170 57.927 59.018 0.130 0.000 1.265 59 C CB 1.600 29.379 27.740 0.065 0.000 1.563 59 C HN 0.828 nan 8.230 nan 0.000 0.471 60 D N 1.868 122.389 120.400 0.202 0.000 2.349 60 D HA 0.522 5.162 4.640 -0.000 0.000 0.232 60 D C -0.379 176.107 176.300 0.310 0.000 1.071 60 D CA -0.031 54.112 54.000 0.237 0.000 0.832 60 D CB 1.564 42.560 40.800 0.325 0.000 1.086 60 D HN 0.469 nan 8.370 nan 0.000 0.504 61 I N 2.275 122.976 120.570 0.218 0.000 2.315 61 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 61 I C -0.338 175.902 176.117 0.204 0.000 1.006 61 I CA -0.627 60.814 61.300 0.234 0.000 1.265 61 I CB 0.427 38.532 38.000 0.175 0.000 1.387 61 I HN 0.196 nan 8.210 nan 0.000 0.475 62 W N 4.637 125.981 121.300 0.074 0.000 2.606 62 W HA 0.490 5.150 4.660 0.000 0.000 0.332 62 W C -0.028 176.454 176.519 -0.062 0.000 1.052 62 W CA -0.461 56.893 57.345 0.016 0.000 1.223 62 W CB 1.598 31.057 29.460 -0.001 0.000 1.383 62 W HN 0.290 nan 8.180 nan 0.000 0.524 63 T N 4.068 118.670 114.554 0.080 0.000 2.779 63 T HA 0.529 4.879 4.350 -0.000 0.000 0.280 63 T C -0.411 174.102 174.700 -0.311 0.000 0.987 63 T CA -0.706 61.276 62.100 -0.198 0.000 0.966 63 T CB 0.499 69.105 68.868 -0.437 0.000 0.933 63 T HN 0.134 nan 8.240 nan 0.000 0.442 64 L N 3.998 125.024 121.223 -0.328 0.000 2.321 64 L HA 0.360 4.700 4.340 -0.000 0.000 0.272 64 L C 0.186 176.904 176.870 -0.254 0.000 1.050 64 L CA -0.762 53.930 54.840 -0.246 0.000 0.893 64 L CB 0.105 42.046 42.059 -0.195 0.000 1.272 64 L HN 0.750 nan 8.230 nan 0.000 0.435 65 Y N 0.262 120.524 120.300 -0.064 0.000 2.516 65 Y HA 0.018 4.568 4.550 -0.000 0.000 0.291 65 Y C 0.921 176.777 175.900 -0.074 0.000 1.131 65 Y CA 0.384 58.433 58.100 -0.085 0.000 1.281 65 Y CB 0.360 38.772 38.460 -0.080 0.000 1.013 65 Y HN 0.508 nan 8.280 nan 0.000 0.554 66 E N 0.966 121.213 120.200 0.077 0.000 2.969 66 E HA 0.264 4.614 4.350 -0.000 0.000 0.213 66 E C -1.449 175.152 176.600 0.002 0.000 1.107 66 E CA -0.382 56.040 56.400 0.037 0.000 1.007 66 E CB 0.563 30.288 29.700 0.043 0.000 1.326 66 E HN 0.006 nan 8.360 nan 0.000 0.432 67 L N 1.470 122.691 121.223 -0.004 0.000 2.372 67 L HA 0.508 4.848 4.340 -0.000 0.000 0.273 67 L C -1.103 175.807 176.870 0.067 0.000 0.989 67 L CA -0.234 54.607 54.840 0.002 0.000 0.841 67 L CB 1.785 43.826 42.059 -0.031 0.000 1.225 67 L HN 0.157 nan 8.230 nan 0.000 0.414 68 S N 4.095 119.880 115.700 0.141 0.000 2.537 68 S HA 0.839 5.309 4.470 -0.000 0.000 0.271 68 S C -1.699 173.080 174.600 0.299 0.000 1.148 68 S CA -0.405 57.822 58.200 0.045 0.000 0.868 68 S CB 0.724 63.899 63.200 -0.042 0.000 1.115 68 S HN 0.715 nan 8.310 nan 0.000 0.461 69 W N 2.969 124.273 121.300 0.007 0.000 2.962 69 W HA 0.774 5.434 4.660 -0.000 0.000 0.405 69 W C -2.413 174.176 176.519 0.117 0.000 1.121 69 W CA -1.214 56.216 57.345 0.142 0.000 1.164 69 W CB 0.345 29.955 29.460 0.250 0.000 1.489 69 W HN 0.579 nan 8.180 nan 0.000 0.599 70 L N 3.098 124.527 121.223 0.343 0.000 2.334 70 L HA 0.409 4.749 4.340 -0.000 0.000 0.276 70 L C 0.299 177.346 176.870 0.294 0.000 1.014 70 L CA -1.130 53.802 54.840 0.153 0.000 0.815 70 L CB 1.124 43.256 42.059 0.121 0.000 1.268 70 L HN 0.609 nan 8.230 nan 0.000 0.428 71 N N 1.222 120.023 118.700 0.167 0.000 2.322 71 N HA -0.026 4.714 4.740 -0.000 0.000 0.270 71 N C 0.527 176.144 175.510 0.178 0.000 1.286 71 N CA -0.335 52.869 53.050 0.256 0.000 0.948 71 N CB 0.379 38.997 38.487 0.218 0.000 1.164 71 N HN 0.513 nan 8.380 nan 0.000 0.551 72 Q N -0.607 119.288 119.800 0.158 0.000 2.170 72 Q HA -0.015 4.325 4.340 -0.000 0.000 0.203 72 Q C 0.792 176.829 176.000 0.062 0.000 0.976 72 Q CA 1.727 57.585 55.803 0.093 0.000 0.858 72 Q CB -0.092 28.696 28.738 0.082 0.000 0.907 72 Q HN 0.680 nan 8.270 nan 0.000 0.433 73 K N -1.658 118.782 120.400 0.067 0.000 2.444 73 K HA 0.198 4.518 4.320 -0.000 0.000 0.193 73 K C 0.640 177.264 176.600 0.040 0.000 1.024 73 K CA 0.515 56.830 56.287 0.046 0.000 1.077 73 K CB 0.370 32.896 32.500 0.044 0.000 0.833 73 K HN 0.349 nan 8.250 nan 0.000 0.517 74 G N 1.661 110.490 108.800 0.048 0.000 2.175 74 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 74 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 74 G C -0.215 174.702 174.900 0.028 0.000 0.982 74 G CA -0.261 44.861 45.100 0.038 0.000 0.641 74 G HN 0.222 nan 8.290 nan 0.000 0.527 75 L N 2.319 123.559 121.223 0.028 0.000 2.319 75 L HA 0.632 4.972 4.340 -0.000 0.000 0.280 75 L C -1.827 175.026 176.870 -0.029 0.000 1.099 75 L CA -2.131 52.712 54.840 0.007 0.000 0.828 75 L CB 0.574 42.643 42.059 0.016 0.000 1.150 75 L HN -0.102 nan 8.230 nan 0.000 0.442 76 P HA 0.083 nan 4.420 nan 0.000 0.267 76 P C -1.345 175.823 177.300 -0.221 0.000 1.200 76 P CA -0.005 63.017 63.100 -0.131 0.000 0.772 76 P CB 0.475 32.121 31.700 -0.091 0.000 0.855 77 Q N 1.039 120.540 119.800 -0.497 0.000 2.365 77 Q HA 0.597 4.937 4.340 -0.000 0.000 0.269 77 Q C -0.739 174.771 176.000 -0.816 0.000 1.061 77 Q CA -0.861 54.518 55.803 -0.707 0.000 0.816 77 Q CB 2.561 30.433 28.738 -1.444 0.000 1.325 77 Q HN 0.309 nan 8.270 nan 0.000 0.446 78 V N -2.054 117.579 119.914 -0.468 0.000 2.789 78 V HA 1.059 5.179 4.120 -0.000 0.000 0.311 78 V C -0.837 175.175 176.094 -0.136 0.000 1.073 78 V CA -0.795 61.326 62.300 -0.299 0.000 0.921 78 V CB 1.633 33.391 31.823 -0.109 0.000 1.009 78 V HN 0.922 nan 8.190 nan 0.000 0.426 79 A N 3.784 126.562 122.820 -0.070 0.000 2.602 79 A HA 0.923 5.243 4.320 -0.000 0.000 0.290 79 A C -1.337 176.284 177.584 0.061 0.000 1.114 79 A CA -0.779 51.317 52.037 0.098 0.000 0.683 79 A CB 1.652 20.693 19.000 0.069 0.000 1.281 79 A HN 0.958 nan 8.150 nan 0.000 0.416 80 I N 1.018 121.647 120.570 0.097 0.000 2.404 80 I HA 0.533 4.703 4.170 -0.000 0.000 0.293 80 I C 0.731 176.874 176.117 0.044 0.000 0.992 80 I CA -0.519 60.764 61.300 -0.027 0.000 1.149 80 I CB 2.031 39.873 38.000 -0.264 0.000 1.315 80 I HN 0.771 nan 8.210 nan 0.000 0.446 81 G N 4.598 113.371 108.800 -0.046 0.000 2.389 81 G HA2 0.572 4.532 3.960 -0.000 0.000 0.317 81 G HA3 0.572 4.532 3.960 -0.000 0.000 0.317 81 G C -0.838 174.055 174.900 -0.012 0.000 1.137 81 G CA -0.342 44.748 45.100 -0.017 0.000 0.870 81 G HN 0.625 nan 8.290 nan 0.000 0.496 82 E N 0.597 120.824 120.200 0.045 0.000 2.218 82 E HA 0.425 4.775 4.350 -0.000 0.000 0.263 82 E C -1.101 175.551 176.600 0.087 0.000 0.879 82 E CA -0.561 55.880 56.400 0.068 0.000 0.762 82 E CB 2.665 32.419 29.700 0.091 0.000 1.166 82 E HN 0.205 nan 8.360 nan 0.000 0.415 83 V N 1.797 121.793 119.914 0.137 0.000 2.628 83 V HA 0.436 4.556 4.120 -0.000 0.000 0.306 83 V C -0.314 175.898 176.094 0.196 0.000 1.045 83 V CA -0.637 61.753 62.300 0.150 0.000 0.905 83 V CB 2.020 33.946 31.823 0.173 0.000 0.997 83 V HN 0.575 nan 8.190 nan 0.000 0.436 84 S N 4.670 120.452 115.700 0.138 0.000 2.605 84 S HA 0.710 5.180 4.470 -0.000 0.000 0.308 84 S C -0.938 173.734 174.600 0.121 0.000 1.113 84 S CA -0.515 57.772 58.200 0.145 0.000 1.049 84 S CB 0.593 63.837 63.200 0.073 0.000 1.001 84 S HN 0.533 nan 8.310 nan 0.000 0.480 85 I N 6.037 126.712 120.570 0.176 0.000 2.362 85 I HA 0.378 4.548 4.170 -0.000 0.000 0.289 85 I C -2.330 173.856 176.117 0.116 0.000 0.994 85 I CA -2.633 58.742 61.300 0.125 0.000 1.158 85 I CB 1.940 40.037 38.000 0.160 0.000 1.315 85 I HN 0.401 nan 8.210 nan 0.000 0.451 86 P HA 0.026 nan 4.420 nan 0.000 0.268 86 P C 0.410 177.764 177.300 0.091 0.000 1.205 86 P CA -0.059 63.084 63.100 0.071 0.000 0.771 86 P CB 0.929 32.657 31.700 0.046 0.000 0.858 87 A N 2.694 125.575 122.820 0.103 0.000 2.172 87 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 87 A C 1.648 179.308 177.584 0.126 0.000 1.154 87 A CA 1.856 53.964 52.037 0.118 0.000 0.701 87 A CB -1.382 17.687 19.000 0.116 0.000 0.789 87 A HN 0.608 nan 8.150 nan 0.000 0.465 88 T N -1.283 113.328 114.554 0.096 0.000 3.100 88 T HA 0.116 4.466 4.350 -0.000 0.000 0.253 88 T C 1.019 175.750 174.700 0.051 0.000 1.118 88 T CA 0.472 62.615 62.100 0.072 0.000 1.058 88 T CB -0.815 68.084 68.868 0.052 0.000 0.953 88 T HN 0.582 nan 8.240 nan 0.000 0.515 89 S N 0.960 116.690 115.700 0.051 0.000 2.563 89 S HA 0.498 4.968 4.470 -0.000 0.000 0.284 89 S C 1.738 176.355 174.600 0.028 0.000 1.331 89 S CA -0.287 57.930 58.200 0.028 0.000 1.047 89 S CB 0.935 64.148 63.200 0.022 0.000 0.859 89 S HN 0.452 nan 8.310 nan 0.000 0.514 90 A N 3.524 126.349 122.820 0.009 0.000 1.940 90 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 90 A C 0.715 178.307 177.584 0.013 0.000 1.176 90 A CA 1.269 53.310 52.037 0.007 0.000 0.631 90 A CB -0.950 18.045 19.000 -0.009 0.000 0.814 90 A HN 0.939 nan 8.150 nan 0.000 0.446 91 N N -1.413 117.291 118.700 0.006 0.000 2.240 91 N HA 0.534 5.274 4.740 -0.000 0.000 0.302 91 N C -0.798 174.735 175.510 0.037 0.000 1.106 91 N CA -0.843 52.215 53.050 0.013 0.000 0.778 91 N CB 1.821 40.295 38.487 -0.022 0.000 1.431 91 N HN 0.280 nan 8.380 nan 0.000 0.479 92 L N -1.109 120.164 121.223 0.082 0.000 2.448 92 L HA 0.701 5.041 4.340 -0.000 0.000 0.258 92 L C -0.562 176.361 176.870 0.088 0.000 1.104 92 L CA -0.611 54.312 54.840 0.137 0.000 0.800 92 L CB 0.426 42.630 42.059 0.242 0.000 1.241 92 L HN 0.433 nan 8.230 nan 0.000 0.472 93 I N 0.496 121.124 120.570 0.098 0.000 2.378 93 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 93 I C 0.022 176.215 176.117 0.127 0.000 0.992 93 I CA -0.623 60.646 61.300 -0.052 0.000 1.154 93 I CB 1.548 39.290 38.000 -0.430 0.000 1.315 93 I HN 0.698 nan 8.210 nan 0.000 0.448 94 E N 4.417 124.679 120.200 0.104 0.000 2.376 94 E HA 0.012 4.362 4.350 -0.000 0.000 0.266 94 E C 0.974 177.665 176.600 0.151 0.000 1.009 94 E CA 0.115 56.592 56.400 0.129 0.000 0.902 94 E CB 1.244 31.027 29.700 0.139 0.000 0.972 94 E HN 0.768 nan 8.360 nan 0.000 0.439 95 S N 4.786 120.572 115.700 0.143 0.000 2.383 95 S HA -0.175 4.295 4.470 -0.000 0.000 0.227 95 S C 1.760 176.473 174.600 0.188 0.000 1.026 95 S CA 1.211 59.591 58.200 0.300 0.000 0.981 95 S CB -0.048 63.252 63.200 0.166 0.000 0.818 95 S HN 0.603 nan 8.310 nan 0.000 0.472 96 K N 1.528 121.979 120.400 0.085 0.000 2.057 96 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 96 K C 2.471 179.143 176.600 0.120 0.000 1.049 96 K CA 1.661 57.998 56.287 0.084 0.000 0.931 96 K CB -0.470 32.059 32.500 0.049 0.000 0.714 96 K HN 0.597 nan 8.250 nan 0.000 0.440 97 S N 0.095 115.864 115.700 0.115 0.000 2.382 97 S HA -0.172 4.298 4.470 -0.000 0.000 0.228 97 S C 1.946 176.658 174.600 0.187 0.000 1.027 97 S CA 0.781 59.046 58.200 0.108 0.000 0.991 97 S CB -0.744 62.482 63.200 0.043 0.000 0.823 97 S HN 0.455 nan 8.310 nan 0.000 0.469 98 F N 2.391 122.344 119.950 0.005 0.000 2.102 98 F HA -0.100 4.427 4.527 0.000 0.000 0.298 98 F C 2.709 178.567 175.800 0.097 0.000 1.105 98 F CA 1.525 59.523 58.000 -0.004 0.000 1.239 98 F CB -0.156 38.732 39.000 -0.186 0.000 0.991 98 F HN 0.232 nan 8.300 nan 0.000 0.474 99 K N 0.840 121.408 120.400 0.280 0.000 2.020 99 K HA -0.229 4.091 4.320 -0.000 0.000 0.212 99 K C 1.986 178.693 176.600 0.178 0.000 1.050 99 K CA 1.912 58.296 56.287 0.161 0.000 0.929 99 K CB -0.413 32.152 32.500 0.107 0.000 0.714 99 K HN 0.356 nan 8.250 nan 0.000 0.443 100 L N 0.041 121.374 121.223 0.183 0.000 2.083 100 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 100 L C 2.619 179.610 176.870 0.202 0.000 1.083 100 L CA 1.303 56.237 54.840 0.157 0.000 0.752 100 L CB -0.652 41.482 42.059 0.125 0.000 0.899 100 L HN 0.308 nan 8.230 nan 0.000 0.433 101 Y N 0.950 121.327 120.300 0.128 0.000 2.145 101 Y HA -0.243 4.307 4.550 -0.000 0.000 0.286 101 Y C 2.312 178.378 175.900 0.277 0.000 1.145 101 Y CA 1.510 59.700 58.100 0.150 0.000 1.148 101 Y CB -0.322 38.196 38.460 0.097 0.000 0.981 101 Y HN -0.017 nan 8.280 nan 0.000 0.507 102 L N 0.292 121.572 121.223 0.094 0.000 2.083 102 L HA -0.254 4.085 4.340 -0.000 0.000 0.209 102 L C 2.090 179.002 176.870 0.070 0.000 1.083 102 L CA 1.887 56.694 54.840 -0.056 0.000 0.752 102 L CB -0.761 41.292 42.059 -0.010 0.000 0.899 102 L HN 0.332 nan 8.230 nan 0.000 0.433 103 N N -0.389 118.373 118.700 0.103 0.000 2.205 103 N HA -0.194 4.546 4.740 -0.000 0.000 0.186 103 N C 1.945 177.544 175.510 0.148 0.000 1.015 103 N CA 1.288 54.406 53.050 0.114 0.000 0.862 103 N CB -0.054 38.490 38.487 0.095 0.000 0.986 103 N HN 0.343 nan 8.380 nan 0.000 0.429 104 S N -0.202 115.586 115.700 0.146 0.000 2.469 104 S HA -0.126 4.344 4.470 -0.000 0.000 0.238 104 S C 1.459 176.181 174.600 0.203 0.000 0.998 104 S CA 0.627 58.907 58.200 0.134 0.000 0.957 104 S CB -0.442 62.798 63.200 0.066 0.000 0.764 104 S HN 0.333 nan 8.310 nan 0.000 0.514 105 Y N 2.501 122.862 120.300 0.103 0.000 2.439 105 Y HA 0.141 4.691 4.550 0.000 0.000 0.292 105 Y C 2.288 178.360 175.900 0.286 0.000 1.130 105 Y CA 0.466 58.720 58.100 0.258 0.000 1.254 105 Y CB -0.578 37.952 38.460 0.117 0.000 1.000 105 Y HN 0.290 nan 8.280 nan 0.000 0.554 106 N N 0.067 118.958 118.700 0.318 0.000 2.166 106 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 106 N C 0.966 176.588 175.510 0.187 0.000 1.019 106 N CA 1.236 54.423 53.050 0.228 0.000 0.856 106 N CB -0.262 38.307 38.487 0.137 0.000 0.993 106 N HN 0.358 nan 8.380 nan 0.000 0.426 107 Q N -0.575 119.321 119.800 0.159 0.000 2.175 107 Q HA 0.277 4.617 4.340 -0.000 0.000 0.225 107 Q C -0.807 175.242 176.000 0.081 0.000 0.837 107 Q CA 0.037 55.904 55.803 0.108 0.000 1.032 107 Q CB 0.883 29.673 28.738 0.087 0.000 1.137 107 Q HN 0.048 nan 8.270 nan 0.000 0.483 108 T N 0.469 115.086 114.554 0.105 0.000 2.797 108 T HA 0.474 4.824 4.350 -0.000 0.000 0.279 108 T C -0.165 174.446 174.700 -0.148 0.000 0.991 108 T CA -0.717 61.323 62.100 -0.100 0.000 0.979 108 T CB 1.222 69.931 68.868 -0.266 0.000 0.943 108 T HN 0.060 nan 8.240 nan 0.000 0.444 109 R N 2.038 122.381 120.500 -0.263 0.000 2.340 109 R HA 0.508 4.848 4.340 -0.000 0.000 0.300 109 R C -0.978 175.058 176.300 -0.439 0.000 1.069 109 R CA -0.211 55.800 56.100 -0.148 0.000 0.984 109 R CB 0.535 30.792 30.300 -0.072 0.000 1.003 109 R HN 0.483 nan 8.270 nan 0.000 0.459 110 F N -0.234 119.781 119.950 0.108 0.000 2.551 110 F HA 0.343 4.870 4.527 0.000 0.000 0.316 110 F C 0.996 176.854 175.800 0.097 0.000 1.089 110 F CA -0.823 57.188 58.000 0.019 0.000 0.915 110 F CB 1.829 40.754 39.000 -0.125 0.000 1.186 110 F HN 0.569 nan 8.300 nan 0.000 0.456 111 A N 1.416 124.368 122.820 0.220 0.000 2.019 111 A HA 0.168 4.488 4.320 -0.000 0.000 0.219 111 A C 0.667 178.387 177.584 0.228 0.000 1.164 111 A CA 1.538 53.678 52.037 0.173 0.000 0.644 111 A CB -0.463 18.597 19.000 0.100 0.000 0.805 111 A HN 0.785 nan 8.150 nan 0.000 0.449 112 S N -5.278 110.584 115.700 0.270 0.000 2.595 112 S HA 0.341 4.811 4.470 -0.000 0.000 0.270 112 S C -0.250 174.555 174.600 0.341 0.000 1.145 112 S CA -0.440 57.954 58.200 0.323 0.000 0.825 112 S CB -0.336 62.989 63.200 0.208 0.000 1.107 112 S HN 0.209 nan 8.310 nan 0.000 0.461 113 W N 1.248 122.641 121.300 0.156 0.000 2.425 113 W HA 0.088 4.748 4.660 -0.000 0.000 0.277 113 W C 1.429 177.906 176.519 -0.070 0.000 1.231 113 W CA 1.274 58.675 57.345 0.094 0.000 1.248 113 W CB -0.641 28.943 29.460 0.206 0.000 1.117 113 W HN 0.767 nan 8.180 nan 0.000 0.568 114 D N -0.038 120.475 120.400 0.188 0.000 2.117 114 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 114 D C 1.941 178.225 176.300 -0.027 0.000 0.982 114 D CA 1.424 55.463 54.000 0.066 0.000 0.828 114 D CB -0.502 40.343 40.800 0.074 0.000 0.967 114 D HN 0.175 nan 8.370 nan 0.000 0.464 115 E N 0.619 120.802 120.200 -0.028 0.000 2.118 115 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 115 E C 2.381 178.825 176.600 -0.261 0.000 0.992 115 E CA 0.481 56.836 56.400 -0.075 0.000 0.804 115 E CB -0.383 29.335 29.700 0.030 0.000 0.741 115 E HN 0.221 nan 8.360 nan 0.000 0.458 116 V N 1.277 120.896 119.914 -0.491 0.000 2.283 116 V HA -0.226 3.894 4.120 -0.000 0.000 0.243 116 V C 2.662 178.482 176.094 -0.456 0.000 1.039 116 V CA 1.829 63.642 62.300 -0.811 0.000 1.016 116 V CB -0.539 30.354 31.823 -1.549 0.000 0.650 116 V HN 0.224 nan 8.190 nan 0.000 0.449 117 Q N -0.378 119.234 119.800 -0.313 0.000 2.124 117 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 117 Q C 2.230 178.181 176.000 -0.081 0.000 0.977 117 Q CA 2.159 57.867 55.803 -0.159 0.000 0.850 117 Q CB -0.130 28.573 28.738 -0.059 0.000 0.901 117 Q HN 0.647 nan 8.270 nan 0.000 0.429 118 T N 0.346 114.859 114.554 -0.068 0.000 2.746 118 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 118 T C 1.673 176.386 174.700 0.022 0.000 1.039 118 T CA 1.232 63.321 62.100 -0.017 0.000 1.142 118 T CB -0.088 68.767 68.868 -0.020 0.000 0.866 118 T HN 0.318 nan 8.240 nan 0.000 0.444 119 R N 0.412 120.907 120.500 -0.007 0.000 2.075 119 R HA 0.096 4.436 4.340 -0.000 0.000 0.232 119 R C 2.487 178.924 176.300 0.227 0.000 1.126 119 R CA 0.896 57.059 56.100 0.104 0.000 0.963 119 R CB -0.524 29.800 30.300 0.040 0.000 0.858 119 R HN 0.353 nan 8.270 nan 0.000 0.435 120 L N 0.254 121.557 121.223 0.133 0.000 2.017 120 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 120 L C 2.432 179.346 176.870 0.073 0.000 1.073 120 L CA 1.097 56.019 54.840 0.136 0.000 0.745 120 L CB -0.500 41.549 42.059 -0.017 0.000 0.894 120 L HN 0.023 nan 8.230 nan 0.000 0.432 121 V N -0.604 119.336 119.914 0.045 0.000 2.287 121 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 121 V C 2.546 178.659 176.094 0.032 0.000 1.053 121 V CA 2.131 64.446 62.300 0.024 0.000 1.027 121 V CB -0.867 30.972 31.823 0.026 0.000 0.646 121 V HN 0.564 nan 8.190 nan 0.000 0.447 122 H N 0.240 119.311 119.070 0.001 0.000 2.321 122 H HA -0.162 4.394 4.556 -0.000 0.000 0.300 122 H C 2.049 177.362 175.328 -0.026 0.000 1.087 122 H CA 2.130 58.177 56.048 -0.001 0.000 1.319 122 H CB -0.040 29.739 29.762 0.028 0.000 1.379 122 H HN 0.413 nan 8.280 nan 0.000 0.501 123 D N 0.605 121.057 120.400 0.087 0.000 2.123 123 D HA -0.072 4.568 4.640 -0.000 0.000 0.200 123 D C 2.642 178.770 176.300 -0.287 0.000 0.976 123 D CA 0.566 54.526 54.000 -0.066 0.000 0.831 123 D CB -0.170 40.656 40.800 0.043 0.000 0.974 123 D HN 0.376 nan 8.370 nan 0.000 0.469 124 L N 0.518 121.583 121.223 -0.264 0.000 2.109 124 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 124 L C 2.421 179.122 176.870 -0.281 0.000 1.086 124 L CA 0.669 55.285 54.840 -0.373 0.000 0.760 124 L CB -0.254 41.597 42.059 -0.347 0.000 0.910 124 L HN -0.078 nan 8.230 nan 0.000 0.437 125 S N 0.253 115.828 115.700 -0.209 0.000 2.368 125 S HA -0.154 4.316 4.470 -0.000 0.000 0.225 125 S C 2.240 176.717 174.600 -0.206 0.000 1.030 125 S CA 1.214 59.309 58.200 -0.175 0.000 0.999 125 S CB -0.287 62.830 63.200 -0.139 0.000 0.844 125 S HN 0.485 nan 8.310 nan 0.000 0.459 126 A N 0.281 122.932 122.820 -0.280 0.000 1.902 126 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 126 A C 2.435 179.894 177.584 -0.209 0.000 1.181 126 A CA 1.644 53.525 52.037 -0.261 0.000 0.623 126 A CB -1.358 17.442 19.000 -0.333 0.000 0.818 126 A HN 0.619 nan 8.150 nan 0.000 0.443 127 C N -0.870 118.282 119.300 -0.247 0.000 2.462 127 C HA 0.122 4.582 4.460 -0.000 0.000 0.278 127 C C 3.183 178.065 174.990 -0.179 0.000 1.253 127 C CA 1.297 60.173 59.018 -0.236 0.000 1.713 127 C CB -1.236 26.300 27.740 -0.341 0.000 2.049 127 C HN 0.669 nan 8.230 nan 0.000 0.477 128 A N -1.080 121.631 122.820 -0.182 0.000 2.015 128 A HA 0.302 4.622 4.320 -0.000 0.000 0.219 128 A C 2.059 179.596 177.584 -0.079 0.000 1.163 128 A CA 1.986 53.953 52.037 -0.116 0.000 0.646 128 A CB -1.013 17.923 19.000 -0.107 0.000 0.806 128 A HN 1.682 nan 8.150 nan 0.000 0.448 129 G N -1.685 107.059 108.800 -0.093 0.000 2.157 129 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.239 129 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.239 129 G C -0.044 174.824 174.900 -0.053 0.000 0.982 129 G CA 0.577 45.636 45.100 -0.068 0.000 0.650 129 G HN 0.859 nan 8.290 nan 0.000 0.527 130 E N -0.429 119.737 120.200 -0.056 0.000 2.392 130 E HA 0.480 4.830 4.350 -0.000 0.000 0.279 130 E C -0.333 176.239 176.600 -0.047 0.000 0.964 130 E CA -0.460 55.916 56.400 -0.038 0.000 0.777 130 E CB 0.900 30.590 29.700 -0.016 0.000 1.249 130 E HN 0.053 nan 8.360 nan 0.000 0.449 131 T N 1.993 116.526 114.554 -0.036 0.000 2.822 131 T HA 0.171 4.521 4.350 -0.000 0.000 0.288 131 T C 0.273 174.957 174.700 -0.026 0.000 0.991 131 T CA 0.077 62.157 62.100 -0.034 0.000 1.176 131 T CB -0.150 68.707 68.868 -0.018 0.000 0.951 131 T HN 0.335 nan 8.240 nan 0.000 0.526 132 V N 1.847 121.739 119.914 -0.037 0.000 3.096 132 V HA 0.784 4.904 4.120 -0.000 0.000 0.319 132 V C 0.196 176.285 176.094 -0.007 0.000 1.082 132 V CA -0.893 61.394 62.300 -0.021 0.000 1.022 132 V CB 1.788 33.583 31.823 -0.047 0.000 1.103 132 V HN 0.751 nan 8.190 nan 0.000 0.455 133 T N 1.880 116.441 114.554 0.011 0.000 2.859 133 T HA 0.734 5.084 4.350 -0.000 0.000 0.281 133 T C -0.551 174.165 174.700 0.027 0.000 1.005 133 T CA -0.369 61.742 62.100 0.018 0.000 1.025 133 T CB 1.430 70.311 68.868 0.021 0.000 0.977 133 T HN 0.785 nan 8.240 nan 0.000 0.458 134 V N 3.258 123.186 119.914 0.023 0.000 2.733 134 V HA 0.566 4.686 4.120 -0.000 0.000 0.306 134 V C -0.754 175.357 176.094 0.030 0.000 1.084 134 V CA -0.972 61.344 62.300 0.026 0.000 0.905 134 V CB 2.122 33.949 31.823 0.007 0.000 1.010 134 V HN 0.829 nan 8.190 nan 0.000 0.424 135 N N 3.204 121.930 118.700 0.043 0.000 2.491 135 N HA 0.461 5.201 4.740 -0.000 0.000 0.274 135 N C -1.221 174.339 175.510 0.083 0.000 1.023 135 N CA -0.262 52.825 53.050 0.061 0.000 0.902 135 N CB 2.014 40.539 38.487 0.062 0.000 1.267 135 N HN 0.375 nan 8.380 nan 0.000 0.503 136 V N 4.339 124.314 119.914 0.102 0.000 2.368 136 V HA 0.346 4.466 4.120 -0.000 0.000 0.266 136 V C 0.198 176.480 176.094 0.313 0.000 1.045 136 V CA -0.392 61.995 62.300 0.145 0.000 0.899 136 V CB 0.370 32.226 31.823 0.054 0.000 1.006 136 V HN 0.471 nan 8.190 nan 0.000 0.470 137 K N 3.141 123.745 120.400 0.341 0.000 2.221 137 K HA 0.525 4.845 4.320 -0.000 0.000 0.258 137 K C 0.257 177.173 176.600 0.528 0.000 0.944 137 K CA -0.375 56.143 56.287 0.384 0.000 0.823 137 K CB 1.845 34.534 32.500 0.315 0.000 1.113 137 K HN 0.758 nan 8.250 nan 0.000 0.431 138 S N 2.235 118.215 115.700 0.467 0.000 2.579 138 S HA 0.092 4.562 4.470 -0.000 0.000 0.275 138 S C 1.392 176.212 174.600 0.366 0.000 1.345 138 S CA -0.604 57.850 58.200 0.424 0.000 1.031 138 S CB 0.410 63.671 63.200 0.101 0.000 0.892 138 S HN 0.564 nan 8.310 nan 0.000 0.529 139 L N 1.325 122.731 121.223 0.305 0.000 2.131 139 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 139 L C 2.458 179.497 176.870 0.282 0.000 1.092 139 L CA 1.434 56.442 54.840 0.280 0.000 0.759 139 L CB -1.055 41.094 42.059 0.151 0.000 0.903 139 L HN 0.837 nan 8.230 nan 0.000 0.435 140 N N -0.271 118.533 118.700 0.173 0.000 2.453 140 N HA -0.204 4.536 4.740 -0.000 0.000 0.183 140 N C 1.330 176.892 175.510 0.087 0.000 1.041 140 N CA 0.956 54.072 53.050 0.110 0.000 0.900 140 N CB -0.413 38.104 38.487 0.050 0.000 0.961 140 N HN 0.341 nan 8.380 nan 0.000 0.443 141 E N 0.146 120.395 120.200 0.081 0.000 2.209 141 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 141 E C 0.958 177.432 176.600 -0.209 0.000 0.993 141 E CA 0.944 57.287 56.400 -0.095 0.000 0.819 141 E CB -0.423 29.161 29.700 -0.193 0.000 0.745 141 E HN 0.632 nan 8.360 nan 0.000 0.477 142 Y N 1.014 121.342 120.300 0.047 0.000 2.523 142 Y HA 0.046 4.596 4.550 -0.000 0.000 0.279 142 Y C 1.001 176.921 175.900 0.034 0.000 1.139 142 Y CA 0.237 58.365 58.100 0.048 0.000 1.296 142 Y CB 0.129 38.630 38.460 0.068 0.000 1.045 142 Y HN -0.222 nan 8.280 nan 0.000 0.538 143 T N 1.255 115.892 114.554 0.139 0.000 2.871 143 T HA 0.244 4.594 4.350 -0.000 0.000 0.296 143 T C 1.092 175.822 174.700 0.050 0.000 0.998 143 T CA 0.824 62.976 62.100 0.087 0.000 1.162 143 T CB 0.422 69.325 68.868 0.059 0.000 0.947 143 T HN 0.466 nan 8.240 nan 0.000 0.536 144 A N 2.853 125.702 122.820 0.047 0.000 3.396 144 A HA -0.160 4.160 4.320 -0.000 0.000 0.267 144 A C 0.670 178.267 177.584 0.022 0.000 1.139 144 A CA 0.719 52.772 52.037 0.026 0.000 1.115 144 A CB -1.596 17.411 19.000 0.011 0.000 1.133 144 A HN 0.702 nan 8.150 nan 0.000 0.920 145 E N 0.840 121.064 120.200 0.041 0.000 2.398 145 E HA 0.398 4.748 4.350 -0.000 0.000 0.263 145 E C -1.805 174.819 176.600 0.041 0.000 1.046 145 E CA -0.718 55.702 56.400 0.034 0.000 0.908 145 E CB 0.235 29.974 29.700 0.065 0.000 0.963 145 E HN 0.635 nan 8.360 nan 0.000 0.431 146 P HA 0.350 nan 4.420 nan 0.000 0.284 146 P C -0.162 177.149 177.300 0.020 0.000 1.258 146 P CA -0.444 62.660 63.100 0.006 0.000 0.824 146 P CB 0.904 32.589 31.700 -0.024 0.000 1.038 147 I N 1.556 122.135 120.570 0.015 0.000 2.474 147 I HA 0.207 4.377 4.170 -0.000 0.000 0.287 147 I C 0.770 176.888 176.117 0.002 0.000 1.048 147 I CA -0.599 60.709 61.300 0.015 0.000 1.383 147 I CB 1.239 39.240 38.000 0.002 0.000 1.412 147 I HN 0.171 nan 8.210 nan 0.000 0.531 148 V N 1.890 121.811 119.914 0.011 0.000 2.960 148 V HA 0.637 4.757 4.120 -0.000 0.000 0.315 148 V C -0.244 175.862 176.094 0.019 0.000 1.087 148 V CA -0.497 61.808 62.300 0.009 0.000 0.982 148 V CB 1.706 33.532 31.823 0.006 0.000 1.039 148 V HN 0.732 nan 8.190 nan 0.000 0.437 152 G N 0.967 109.894 108.800 0.211 0.000 2.598 152 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 152 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 152 G C -0.916 174.095 174.900 0.185 0.000 1.302 152 G CA -0.179 45.033 45.100 0.188 0.000 0.903 152 G HN 0.568 nan 8.290 nan 0.000 0.575 153 E N -0.791 119.426 120.200 0.029 0.000 2.227 153 E HA 0.412 4.762 4.350 -0.000 0.000 0.282 153 E C 0.240 176.571 176.600 -0.448 0.000 1.015 153 E CA -0.462 55.875 56.400 -0.105 0.000 0.823 153 E CB 1.692 31.358 29.700 -0.056 0.000 1.081 153 E HN 0.671 nan 8.360 nan 0.000 0.396 154 C N 4.606 123.563 119.300 -0.572 0.000 2.632 154 C HA 0.153 4.613 4.460 -0.000 0.000 0.415 154 C C 1.600 176.437 174.990 -0.255 0.000 1.332 154 C CA -0.293 58.349 59.018 -0.628 0.000 1.874 154 C CB -1.236 26.369 27.740 -0.226 0.000 2.596 154 C HN 0.851 nan 8.230 nan 0.000 0.590 155 I N 1.724 122.171 120.570 -0.205 0.000 3.875 155 I HA 0.262 4.432 4.170 -0.000 0.000 0.329 155 I C 0.778 176.873 176.117 -0.036 0.000 1.295 155 I CA 0.436 61.684 61.300 -0.087 0.000 1.129 155 I CB -0.303 37.661 38.000 -0.059 0.000 1.008 155 I HN 0.456 nan 8.210 nan 0.000 0.413 156 D N 1.375 121.762 120.400 -0.021 0.000 2.317 156 D HA -0.087 4.553 4.640 -0.000 0.000 0.211 156 D C 0.531 176.850 176.300 0.031 0.000 0.966 156 D CA 1.006 55.022 54.000 0.026 0.000 0.876 156 D CB -0.052 40.791 40.800 0.073 0.000 0.927 156 D HN 0.396 nan 8.370 nan 0.000 0.519 157 D N 1.449 121.861 120.400 0.019 0.000 2.558 157 D HA 0.071 4.710 4.640 -0.000 0.000 0.221 157 D C -0.533 175.776 176.300 0.014 0.000 1.143 157 D CA -0.045 53.968 54.000 0.021 0.000 1.010 157 D CB -0.224 40.587 40.800 0.019 0.000 1.068 157 D HN 0.020 nan 8.370 nan 0.000 0.511 158 Q N 0.957 120.767 119.800 0.017 0.000 2.387 158 Q HA 0.327 4.667 4.340 -0.000 0.000 0.273 158 Q C -0.843 175.166 176.000 0.014 0.000 1.089 158 Q CA -0.930 54.880 55.803 0.012 0.000 0.824 158 Q CB 1.973 30.718 28.738 0.010 0.000 1.367 158 Q HN 0.244 nan 8.270 nan 0.000 0.443 159 D N 3.124 123.529 120.400 0.009 0.000 2.638 159 D HA 0.257 4.897 4.640 -0.000 0.000 0.245 159 D C -0.260 176.043 176.300 0.005 0.000 1.176 159 D CA 0.177 54.182 54.000 0.009 0.000 0.996 159 D CB -0.001 40.802 40.800 0.006 0.000 1.012 159 D HN 0.417 nan 8.370 nan 0.000 0.515 160 I N -2.630 117.945 120.570 0.008 0.000 2.934 160 I HA 0.616 4.786 4.170 -0.000 0.000 0.306 160 I C -0.726 175.394 176.117 0.004 0.000 1.110 160 I CA -1.269 60.032 61.300 0.001 0.000 1.019 160 I CB 2.830 40.828 38.000 -0.004 0.000 1.227 160 I HN -0.286 nan 8.210 nan 0.000 0.434 161 E N 4.002 124.198 120.200 -0.007 0.000 2.151 161 E HA 0.638 4.988 4.350 -0.000 0.000 0.275 161 E C -1.572 175.006 176.600 -0.037 0.000 0.936 161 E CA -0.501 55.894 56.400 -0.008 0.000 0.777 161 E CB 1.501 31.194 29.700 -0.011 0.000 1.108 161 E HN 0.633 nan 8.360 nan 0.000 0.401 162 I N 3.905 124.452 120.570 -0.038 0.000 2.433 162 I HA 0.524 4.694 4.170 -0.000 0.000 0.292 162 I C 0.204 176.199 176.117 -0.204 0.000 1.001 162 I CA -0.624 60.587 61.300 -0.149 0.000 1.119 162 I CB 1.990 39.903 38.000 -0.145 0.000 1.289 162 I HN 0.741 nan 8.210 nan 0.000 0.438 163 A N 4.225 126.853 122.820 -0.320 0.000 2.377 163 A HA 0.208 4.528 4.320 -0.000 0.000 0.209 163 A C 0.370 177.722 177.584 -0.387 0.000 1.359 163 A CA 0.045 51.935 52.037 -0.244 0.000 1.026 163 A CB 0.251 19.207 19.000 -0.072 0.000 1.224 163 A HN 0.619 nan 8.150 nan 0.000 0.528 164 N N -0.053 118.349 118.700 -0.496 0.000 2.469 164 N HA 0.427 5.167 4.740 -0.000 0.000 0.253 164 N C -0.945 174.268 175.510 -0.494 0.000 0.970 164 N CA -0.366 52.478 53.050 -0.343 0.000 0.940 164 N CB 0.467 38.838 38.487 -0.193 0.000 1.128 164 N HN 0.219 nan 8.380 nan 0.000 0.503 165 Y N 0.607 120.908 120.300 0.001 0.000 2.607 165 Y HA 0.208 4.757 4.550 -0.000 0.000 0.266 165 Y C 0.107 176.012 175.900 0.009 0.000 1.178 165 Y CA -0.659 57.446 58.100 0.009 0.000 1.226 165 Y CB -0.020 38.457 38.460 0.028 0.000 1.144 165 Y HN 0.480 nan 8.280 nan 0.000 0.528 166 E N -0.263 119.978 120.200 0.068 0.000 2.313 166 E HA 0.179 4.529 4.350 -0.000 0.000 0.272 166 E C -0.673 175.920 176.600 -0.011 0.000 1.038 166 E CA -0.969 55.467 56.400 0.061 0.000 0.863 166 E CB 0.637 30.366 29.700 0.049 0.000 1.060 166 E HN 0.120 nan 8.360 nan 0.000 0.402 167 F N 2.193 122.043 119.950 -0.166 0.000 2.607 167 F HA 0.182 4.709 4.527 -0.000 0.000 0.374 167 F C -0.287 175.369 175.800 -0.240 0.000 1.104 167 F CA 0.432 58.213 58.000 -0.364 0.000 1.296 167 F CB 0.555 39.168 39.000 -0.645 0.000 1.085 167 F HN 0.531 nan 8.300 nan 0.000 0.584 168 D N 5.194 124.862 120.400 -1.221 0.000 2.337 168 D HA 0.085 4.725 4.640 -0.000 0.000 0.238 168 D C 0.393 176.209 176.300 -0.807 0.000 1.331 168 D CA -0.358 53.161 54.000 -0.802 0.000 0.967 168 D CB 0.380 40.946 40.800 -0.390 0.000 1.382 168 D HN 0.614 nan 8.370 nan 0.000 0.549 169 D N 1.701 121.591 120.400 -0.850 0.000 2.263 169 D HA -0.172 4.468 4.640 -0.000 0.000 0.208 169 D C 1.464 177.493 176.300 -0.452 0.000 0.971 169 D CA 0.597 54.408 54.000 -0.316 0.000 0.867 169 D CB -0.050 40.825 40.800 0.125 0.000 0.929 169 D HN 0.307 nan 8.370 nan 0.000 0.492 170 A N 0.682 123.289 122.820 -0.355 0.000 2.172 170 A HA 0.019 4.339 4.320 -0.000 0.000 0.216 170 A C 2.412 179.750 177.584 -0.409 0.000 1.154 170 A CA 0.216 52.029 52.037 -0.373 0.000 0.701 170 A CB -0.836 18.068 19.000 -0.160 0.000 0.789 170 A HN 0.265 nan 8.150 nan 0.000 0.465 171 L N -0.908 120.106 121.223 -0.349 0.000 2.265 171 L HA -0.116 4.224 4.340 -0.000 0.000 0.215 171 L C 1.895 178.567 176.870 -0.331 0.000 1.117 171 L CA 0.719 55.405 54.840 -0.256 0.000 0.782 171 L CB -0.271 41.708 42.059 -0.132 0.000 0.914 171 L HN 0.406 nan 8.230 nan 0.000 0.441 172 L N -0.857 120.012 121.223 -0.591 0.000 2.558 172 L HA 0.008 4.348 4.340 -0.000 0.000 0.225 172 L C 0.975 177.518 176.870 -0.545 0.000 1.128 172 L CA -0.345 54.122 54.840 -0.621 0.000 0.868 172 L CB -0.161 41.416 42.059 -0.803 0.000 1.006 172 L HN 0.200 nan 8.230 nan 0.000 0.454 173 Q N 1.394 120.855 119.800 -0.565 0.000 2.247 173 Q HA 0.123 4.463 4.340 -0.000 0.000 0.288 173 Q C 1.145 177.086 176.000 -0.097 0.000 1.079 173 Q CA 1.043 56.734 55.803 -0.186 0.000 0.932 173 Q CB 0.295 28.968 28.738 -0.108 0.000 1.133 173 Q HN 0.356 nan 8.270 nan 0.000 0.377 174 G N 2.938 111.726 108.800 -0.021 0.000 2.168 174 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.257 174 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.257 174 G C 0.689 175.553 174.900 -0.060 0.000 0.997 174 G CA 0.582 45.662 45.100 -0.032 0.000 0.708 174 G HN 1.169 nan 8.290 nan 0.000 0.520 175 A N -0.847 121.918 122.820 -0.092 0.000 2.168 175 A HA 0.613 4.933 4.320 -0.000 0.000 0.215 175 A C 1.600 179.128 177.584 -0.094 0.000 1.152 175 A CA 1.927 53.899 52.037 -0.107 0.000 0.716 175 A CB 0.061 18.965 19.000 -0.159 0.000 0.794 175 A HN 2.036 nan 8.150 nan 0.000 0.465 176 A N -0.303 122.470 122.820 -0.079 0.000 2.536 176 A HA 0.620 4.940 4.320 -0.000 0.000 0.329 176 A C 0.079 177.639 177.584 -0.040 0.000 1.321 176 A CA -0.369 51.624 52.037 -0.073 0.000 0.804 176 A CB 0.321 19.260 19.000 -0.102 0.000 1.126 176 A HN 0.355 nan 8.150 nan 0.000 0.480 177 Q N 1.375 121.158 119.800 -0.029 0.000 2.103 177 Q HA 0.185 4.525 4.340 -0.000 0.000 0.219 177 Q C 0.956 176.948 176.000 -0.012 0.000 0.784 177 Q CA 0.030 55.822 55.803 -0.019 0.000 1.014 177 Q CB 1.466 30.191 28.738 -0.021 0.000 1.183 177 Q HN 0.833 nan 8.270 nan 0.000 0.469 178 G N 1.375 110.171 108.800 -0.007 0.000 2.535 178 G HA2 0.206 4.166 3.960 -0.000 0.000 0.282 178 G HA3 0.206 4.166 3.960 -0.000 0.000 0.282 178 G C -0.159 174.738 174.900 -0.004 0.000 1.350 178 G CA -0.491 44.608 45.100 -0.001 0.000 1.039 178 G HN 0.263 nan 8.290 nan 0.000 0.509 179 E N -0.793 119.403 120.200 -0.007 0.000 2.408 179 E HA 0.147 4.497 4.350 -0.000 0.000 0.259 179 E C 0.084 176.662 176.600 -0.038 0.000 1.110 179 E CA -0.383 56.007 56.400 -0.017 0.000 0.929 179 E CB 0.790 30.482 29.700 -0.015 0.000 0.971 179 E HN 0.540 nan 8.360 nan 0.000 0.438 180 E N 1.660 121.826 120.200 -0.057 0.000 2.406 180 E HA 0.114 4.464 4.350 -0.000 0.000 0.258 180 E C -0.543 175.945 176.600 -0.186 0.000 1.043 180 E CA -0.565 55.748 56.400 -0.145 0.000 0.929 180 E CB 0.451 30.087 29.700 -0.106 0.000 0.969 180 E HN 0.448 nan 8.360 nan 0.000 0.462 181 V N 1.080 120.825 119.914 -0.281 0.000 3.040 181 V HA 0.619 4.739 4.120 -0.000 0.000 0.312 181 V C -0.406 175.464 176.094 -0.373 0.000 1.115 181 V CA -1.050 61.111 62.300 -0.232 0.000 0.998 181 V CB 2.119 33.853 31.823 -0.148 0.000 1.042 181 V HN 0.533 nan 8.190 nan 0.000 0.433 182 S N 2.412 118.018 115.700 -0.156 0.000 2.442 182 S HA 0.693 5.163 4.470 -0.000 0.000 0.297 182 S C -0.424 174.023 174.600 -0.256 0.000 1.131 182 S CA -0.536 57.579 58.200 -0.141 0.000 1.092 182 S CB 0.544 63.789 63.200 0.075 0.000 0.998 182 S HN 1.062 nan 8.310 nan 0.000 0.478 183 E N 1.060 120.977 120.200 -0.473 0.000 2.445 183 E HA 0.689 5.039 4.350 -0.000 0.000 0.279 183 E C -1.808 174.679 176.600 -0.189 0.000 1.018 183 E CA -1.039 55.190 56.400 -0.284 0.000 0.816 183 E CB 1.209 30.779 29.700 -0.218 0.000 1.356 183 E HN 0.293 nan 8.360 nan 0.000 0.462 184 V N 1.612 121.513 119.914 -0.022 0.000 2.588 184 V HA 0.480 4.600 4.120 -0.000 0.000 0.304 184 V C -0.456 175.702 176.094 0.107 0.000 1.042 184 V CA -0.661 61.687 62.300 0.080 0.000 0.877 184 V CB 1.225 33.111 31.823 0.105 0.000 0.996 184 V HN 0.565 nan 8.190 nan 0.000 0.425 185 L N 5.067 126.374 121.223 0.140 0.000 2.341 185 L HA 0.774 5.114 4.340 -0.000 0.000 0.267 185 L C -0.572 176.353 176.870 0.092 0.000 1.009 185 L CA -0.636 54.248 54.840 0.075 0.000 0.819 185 L CB 2.286 44.398 42.059 0.088 0.000 1.323 185 L HN 0.866 nan 8.230 nan 0.000 0.425 186 H N 0.007 119.068 119.070 -0.016 0.000 2.985 186 H HA 0.676 5.232 4.556 -0.000 0.000 0.360 186 H C -1.782 173.449 175.328 -0.163 0.000 1.221 186 H CA -0.776 55.215 56.048 -0.096 0.000 1.121 186 H CB 2.142 31.828 29.762 -0.127 0.000 1.854 186 H HN 0.472 nan 8.280 nan 0.000 0.551 187 S N -0.197 115.444 115.700 -0.099 0.000 2.546 187 S HA 0.264 4.734 4.470 -0.000 0.000 0.274 187 S C -0.518 173.922 174.600 -0.266 0.000 1.121 187 S CA -0.645 57.458 58.200 -0.161 0.000 0.887 187 S CB 1.148 64.310 63.200 -0.063 0.000 1.094 187 S HN 0.743 nan 8.310 nan 0.000 0.474 188 H N 4.444 123.559 119.070 0.074 0.000 2.520 188 H HA 0.325 4.881 4.556 -0.000 0.000 0.284 188 H C 0.487 175.840 175.328 0.041 0.000 1.037 188 H CA 0.203 56.273 56.048 0.037 0.000 1.168 188 H CB 0.205 29.991 29.762 0.041 0.000 1.497 188 H HN 0.390 nan 8.280 nan 0.000 0.547 189 L N 1.070 122.355 121.223 0.104 0.000 2.818 189 L HA 0.133 4.473 4.340 -0.000 0.000 0.243 189 L C 0.179 177.107 176.870 0.097 0.000 1.185 189 L CA -0.292 54.625 54.840 0.128 0.000 0.988 189 L CB 0.308 42.438 42.059 0.119 0.000 1.292 189 L HN 0.025 nan 8.230 nan 0.000 0.519 190 L N 1.990 123.223 121.223 0.017 0.000 2.418 190 L HA 0.191 4.531 4.340 -0.000 0.000 0.274 190 L C 0.072 176.940 176.870 -0.002 0.000 1.135 190 L CA 0.747 55.556 54.840 -0.051 0.000 0.870 190 L CB 0.233 42.162 42.059 -0.217 0.000 1.154 190 L HN 0.057 nan 8.230 nan 0.000 0.462 191 K N 3.602 123.992 120.400 -0.016 0.000 2.468 191 K HA 0.774 5.094 4.320 -0.000 0.000 0.252 191 K C -1.387 175.172 176.600 -0.068 0.000 0.932 191 K CA -0.387 55.796 56.287 -0.174 0.000 0.794 191 K CB 1.583 33.867 32.500 -0.360 0.000 1.241 191 K HN 0.785 nan 8.250 nan 0.000 0.428 192 S N 1.515 117.158 115.700 -0.096 0.000 2.625 192 S HA 0.585 5.055 4.470 -0.000 0.000 0.271 192 S C -1.318 173.251 174.600 -0.052 0.000 1.161 192 S CA -1.025 57.198 58.200 0.038 0.000 0.820 192 S CB 1.199 64.504 63.200 0.175 0.000 1.137 192 S HN 0.787 nan 8.310 nan 0.000 0.470 201 D N 0.752 120.893 120.400 -0.432 0.000 2.252 201 D HA 0.535 5.175 4.640 -0.000 0.000 0.245 201 D C -0.855 175.185 176.300 -0.434 0.000 1.009 201 D CA 0.296 54.148 54.000 -0.247 0.000 0.870 201 D CB 1.552 42.389 40.800 0.062 0.000 1.251 201 D HN 0.266 nan 8.370 nan 0.000 0.460 202 W N 0.355 121.731 121.300 0.127 0.000 2.839 202 W HA 0.613 5.273 4.660 0.000 0.000 0.334 202 W C 0.275 176.771 176.519 -0.037 0.000 1.064 202 W CA -0.732 56.640 57.345 0.044 0.000 1.236 202 W CB 2.392 31.859 29.460 0.012 0.000 1.405 202 W HN 0.418 nan 8.180 nan 0.000 0.478 203 G N 0.626 109.420 108.800 -0.010 0.000 2.684 203 G HA2 0.659 4.619 3.960 -0.000 0.000 0.290 203 G HA3 0.659 4.619 3.960 -0.000 0.000 0.290 203 G C -1.497 173.242 174.900 -0.269 0.000 1.425 203 G CA -0.855 43.999 45.100 -0.409 0.000 0.822 203 G HN 0.240 nan 8.290 nan 0.000 0.482 204 S N -1.397 114.115 115.700 -0.313 0.000 2.578 204 S HA 0.778 5.248 4.470 -0.000 0.000 0.301 204 S C -0.881 173.520 174.600 -0.331 0.000 1.091 204 S CA -0.681 57.385 58.200 -0.223 0.000 1.032 204 S CB 1.916 65.072 63.200 -0.074 0.000 1.064 204 S HN 1.050 nan 8.310 nan 0.000 0.508 205 V N 1.966 121.733 119.914 -0.245 0.000 2.760 205 V HA 0.573 4.693 4.120 -0.000 0.000 0.309 205 V C -1.261 174.788 176.094 -0.075 0.000 1.077 205 V CA -0.550 61.629 62.300 -0.201 0.000 0.910 205 V CB 1.864 33.575 31.823 -0.187 0.000 1.008 205 V HN 0.964 nan 8.190 nan 0.000 0.424 206 E N 5.622 125.812 120.200 -0.018 0.000 2.176 206 E HA 0.606 4.956 4.350 -0.000 0.000 0.267 206 E C -1.564 175.106 176.600 0.117 0.000 0.893 206 E CA -0.667 55.790 56.400 0.096 0.000 0.761 206 E CB 1.775 31.560 29.700 0.141 0.000 1.133 206 E HN 0.714 nan 8.360 nan 0.000 0.409 207 I N 3.493 124.143 120.570 0.134 0.000 2.439 207 I HA 0.447 4.617 4.170 -0.000 0.000 0.283 207 I C -0.638 175.608 176.117 0.216 0.000 1.023 207 I CA -0.549 60.838 61.300 0.145 0.000 1.100 207 I CB 1.828 39.895 38.000 0.112 0.000 1.238 207 I HN 0.499 nan 8.210 nan 0.000 0.445 208 A N 6.909 129.857 122.820 0.212 0.000 2.331 208 A HA 0.884 5.204 4.320 -0.000 0.000 0.320 208 A C -1.238 176.512 177.584 0.277 0.000 1.138 208 A CA -0.371 51.791 52.037 0.207 0.000 0.790 208 A CB 0.845 19.945 19.000 0.167 0.000 1.206 208 A HN 0.725 nan 8.150 nan 0.000 0.470 209 Y N -0.451 119.897 120.300 0.080 0.000 2.638 209 Y HA 0.733 5.283 4.550 -0.000 0.000 0.335 209 Y C -1.011 174.941 175.900 0.086 0.000 1.155 209 Y CA -1.087 57.053 58.100 0.066 0.000 1.046 209 Y CB 1.042 39.504 38.460 0.003 0.000 1.303 209 Y HN 0.776 nan 8.280 nan 0.000 0.460 210 H N 0.671 119.760 119.070 0.031 0.000 2.658 210 H HA 0.792 5.348 4.556 -0.000 0.000 0.337 210 H C -0.320 175.084 175.328 0.126 0.000 1.009 210 H CA 0.188 56.208 56.048 -0.046 0.000 1.231 210 H CB 1.398 31.124 29.762 -0.060 0.000 1.508 210 H HN 1.237 nan 8.280 nan 0.000 0.517 211 G N 1.851 110.511 108.800 -0.233 0.000 2.321 211 G HA2 0.436 4.396 3.960 -0.000 0.000 0.296 211 G HA3 0.436 4.396 3.960 -0.000 0.000 0.296 211 G C -1.186 173.708 174.900 -0.009 0.000 1.287 211 G CA -0.427 44.652 45.100 -0.036 0.000 0.846 211 G HN 0.800 nan 8.290 nan 0.000 0.508 212 A N 0.196 123.024 122.820 0.012 0.000 2.546 212 A HA 0.494 4.814 4.320 -0.000 0.000 0.243 212 A C 0.923 178.561 177.584 0.090 0.000 1.063 212 A CA 0.979 53.026 52.037 0.016 0.000 0.757 212 A CB 0.042 19.038 19.000 -0.007 0.000 0.991 212 A HN 0.902 nan 8.150 nan 0.000 0.503 216 R N 1.354 121.845 120.500 -0.016 0.000 2.148 216 R HA -0.071 4.269 4.340 -0.000 0.000 0.223 216 R C 1.615 177.909 176.300 -0.009 0.000 1.088 216 R CA 1.163 57.258 56.100 -0.009 0.000 0.985 216 R CB 0.193 30.491 30.300 -0.003 0.000 0.880 216 R HN 0.659 nan 8.270 nan 0.000 0.451 217 E N 0.949 121.141 120.200 -0.014 0.000 2.072 217 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 217 E C 1.910 178.501 176.600 -0.016 0.000 0.985 217 E CA 1.108 57.500 56.400 -0.013 0.000 0.801 217 E CB -0.007 29.681 29.700 -0.019 0.000 0.750 217 E HN 0.332 nan 8.360 nan 0.000 0.452 218 A N 1.205 124.006 122.820 -0.033 0.000 1.902 218 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 218 A C 2.152 179.731 177.584 -0.009 0.000 1.181 218 A CA 1.341 53.350 52.037 -0.048 0.000 0.623 218 A CB -0.699 18.247 19.000 -0.089 0.000 0.818 218 A HN 0.399 nan 8.150 nan 0.000 0.443 219 L N -0.814 120.406 121.223 -0.006 0.000 2.046 219 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 219 L C 2.229 179.171 176.870 0.121 0.000 1.077 219 L CA 2.062 56.932 54.840 0.050 0.000 0.747 219 L CB -0.667 41.395 42.059 0.005 0.000 0.896 219 L HN 0.349 nan 8.230 nan 0.000 0.432 220 L N -0.488 120.774 121.223 0.065 0.000 2.056 220 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 220 L C 2.677 179.593 176.870 0.077 0.000 1.078 220 L CA 1.570 56.450 54.840 0.067 0.000 0.749 220 L CB -0.608 41.474 42.059 0.038 0.000 0.901 220 L HN 0.222 nan 8.230 nan 0.000 0.433 221 R N -1.783 118.747 120.500 0.051 0.000 2.091 221 R HA -0.239 4.101 4.340 -0.000 0.000 0.238 221 R C 2.270 178.602 176.300 0.053 0.000 1.136 221 R CA 1.913 58.027 56.100 0.024 0.000 0.959 221 R CB -0.807 29.481 30.300 -0.021 0.000 0.856 221 R HN 0.466 nan 8.270 nan 0.000 0.437 222 Y N 1.662 121.943 120.300 -0.033 0.000 2.114 222 Y HA -0.206 4.344 4.550 -0.000 0.000 0.284 222 Y C 1.929 177.946 175.900 0.194 0.000 1.143 222 Y CA 1.523 59.614 58.100 -0.015 0.000 1.135 222 Y CB -0.390 38.054 38.460 -0.027 0.000 0.980 222 Y HN -0.064 nan 8.280 nan 0.000 0.499 223 L N -0.948 120.348 121.223 0.123 0.000 2.046 223 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 223 L C 2.346 179.330 176.870 0.189 0.000 1.077 223 L CA 1.194 56.108 54.840 0.124 0.000 0.747 223 L CB -0.772 41.341 42.059 0.089 0.000 0.896 223 L HN 0.129 nan 8.230 nan 0.000 0.432 224 V N -0.213 119.784 119.914 0.138 0.000 2.759 224 V HA -0.218 3.902 4.120 -0.000 0.000 0.256 224 V C 2.568 178.777 176.094 0.191 0.000 1.080 224 V CA 1.754 64.158 62.300 0.173 0.000 1.101 224 V CB -0.439 31.483 31.823 0.165 0.000 0.698 224 V HN 0.634 nan 8.190 nan 0.000 0.477 225 S N -0.635 115.114 115.700 0.081 0.000 2.555 225 S HA -0.065 4.405 4.470 -0.000 0.000 0.230 225 S C 1.599 176.224 174.600 0.042 0.000 0.978 225 S CA 0.822 59.022 58.200 -0.000 0.000 0.934 225 S CB -0.712 62.364 63.200 -0.207 0.000 0.766 225 S HN 0.520 nan 8.310 nan 0.000 0.533 226 F N 1.821 121.800 119.950 0.047 0.000 2.661 226 F HA 0.289 4.816 4.527 -0.000 0.000 0.298 226 F C 2.507 178.365 175.800 0.096 0.000 1.137 226 F CA 0.299 58.332 58.000 0.056 0.000 1.454 226 F CB -0.213 38.784 39.000 -0.005 0.000 1.103 226 F HN 0.189 nan 8.300 nan 0.000 0.577 227 R N 1.108 121.753 120.500 0.241 0.000 2.127 227 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 227 R C 0.040 176.384 176.300 0.073 0.000 1.134 227 R CA 1.347 57.522 56.100 0.125 0.000 0.975 227 R CB -0.055 30.316 30.300 0.117 0.000 0.865 227 R HN 0.149 nan 8.270 nan 0.000 0.447 228 E N 0.199 120.478 120.200 0.133 0.000 2.751 228 E HA 0.123 4.473 4.350 -0.000 0.000 0.219 228 E C -1.284 175.420 176.600 0.173 0.000 1.060 228 E CA -0.305 56.158 56.400 0.106 0.000 0.893 228 E CB 0.879 30.639 29.700 0.100 0.000 1.300 228 E HN 0.291 nan 8.360 nan 0.000 0.433 229 H N 1.003 120.090 119.070 0.028 0.000 3.129 229 H HA 0.279 4.835 4.556 -0.000 0.000 0.342 229 H C -1.604 173.730 175.328 0.011 0.000 1.092 229 H CA -0.619 55.431 56.048 0.003 0.000 1.310 229 H CB 0.882 30.619 29.762 -0.043 0.000 1.932 229 H HN 0.157 nan 8.280 nan 0.000 0.507 230 N N 3.705 122.126 118.700 -0.466 0.000 2.457 230 N HA 0.384 5.124 4.740 -0.000 0.000 0.250 230 N C -1.093 174.198 175.510 -0.365 0.000 0.982 230 N CA -0.723 52.153 53.050 -0.290 0.000 0.941 230 N CB 1.906 40.291 38.487 -0.170 0.000 1.120 230 N HN 0.580 nan 8.380 nan 0.000 0.505 231 E N 1.422 121.536 120.200 -0.144 0.000 2.372 231 E HA 0.324 4.674 4.350 -0.000 0.000 0.279 231 E C -1.168 175.532 176.600 0.167 0.000 0.946 231 E CA -0.705 55.677 56.400 -0.031 0.000 0.769 231 E CB 1.377 31.107 29.700 0.050 0.000 1.230 231 E HN 0.130 nan 8.360 nan 0.000 0.442 232 F N 2.472 122.361 119.950 -0.102 0.000 2.450 232 F HA 0.114 4.641 4.527 -0.000 0.000 0.339 232 F C 1.805 177.538 175.800 -0.111 0.000 1.146 232 F CA -0.166 57.733 58.000 -0.168 0.000 1.267 232 F CB 0.390 39.315 39.000 -0.126 0.000 1.178 232 F HN 0.625 nan 8.300 nan 0.000 0.585 233 H N 1.349 120.293 119.070 -0.209 0.000 2.319 233 H HA -0.144 4.412 4.556 0.000 0.000 0.297 233 H C 1.787 177.058 175.328 -0.095 0.000 1.097 233 H CA 2.109 57.904 56.048 -0.421 0.000 1.285 233 H CB -0.303 28.915 29.762 -0.906 0.000 1.368 233 H HN 0.584 nan 8.280 nan 0.000 0.495 234 E N 0.650 120.907 120.200 0.096 0.000 2.110 234 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 234 E C 2.371 179.023 176.600 0.087 0.000 0.988 234 E CA 1.068 57.524 56.400 0.094 0.000 0.804 234 E CB -0.080 29.698 29.700 0.129 0.000 0.745 234 E HN 0.587 nan 8.360 nan 0.000 0.458 235 Q N -0.418 119.459 119.800 0.127 0.000 2.083 235 Q HA -0.093 4.247 4.340 -0.000 0.000 0.198 235 Q C 2.313 178.392 176.000 0.131 0.000 0.969 235 Q CA 1.242 57.110 55.803 0.108 0.000 0.838 235 Q CB -0.225 28.562 28.738 0.081 0.000 0.900 235 Q HN 0.323 nan 8.270 nan 0.000 0.436 236 C N 0.110 119.496 119.300 0.144 0.000 2.413 236 C HA -0.126 4.334 4.460 -0.000 0.000 0.276 236 C C 2.710 177.743 174.990 0.073 0.000 1.236 236 C CA 0.624 59.719 59.018 0.128 0.000 1.735 236 C CB -0.820 26.952 27.740 0.053 0.000 2.031 236 C HN 0.350 nan 8.230 nan 0.000 0.474 237 V N 0.716 120.670 119.914 0.067 0.000 2.332 237 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 237 V C 2.333 178.458 176.094 0.052 0.000 1.055 237 V CA 2.082 64.408 62.300 0.044 0.000 1.038 237 V CB -0.731 31.113 31.823 0.035 0.000 0.651 237 V HN 0.624 nan 8.190 nan 0.000 0.450 238 E N -0.354 119.851 120.200 0.007 0.000 2.150 238 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 238 E C 2.407 179.158 176.600 0.253 0.000 0.985 238 E CA 1.016 57.419 56.400 0.005 0.000 0.814 238 E CB -0.160 29.529 29.700 -0.018 0.000 0.752 238 E HN 0.476 nan 8.360 nan 0.000 0.466 239 R N 0.977 121.635 120.500 0.263 0.000 2.075 239 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 239 R C 2.271 178.852 176.300 0.468 0.000 1.126 239 R CA 1.036 57.351 56.100 0.359 0.000 0.963 239 R CB -0.139 30.381 30.300 0.366 0.000 0.858 239 R HN 0.112 nan 8.270 nan 0.000 0.435 240 I N 0.202 121.038 120.570 0.442 0.000 2.163 240 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 240 I C 2.177 178.496 176.117 0.336 0.000 1.085 240 I CA 1.363 62.946 61.300 0.472 0.000 1.347 240 I CB -0.368 37.801 38.000 0.282 0.000 1.044 240 I HN 0.192 nan 8.210 nan 0.000 0.408 241 F N 1.898 121.942 119.950 0.158 0.000 2.069 241 F HA -0.322 4.205 4.527 -0.000 0.000 0.298 241 F C 2.876 178.786 175.800 0.184 0.000 1.113 241 F CA 2.386 60.466 58.000 0.134 0.000 1.214 241 F CB -0.438 38.616 39.000 0.089 0.000 0.978 241 F HN 0.149 nan 8.300 nan 0.000 0.474 242 T N -2.734 112.140 114.554 0.533 0.000 2.904 242 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 242 T C 1.631 176.459 174.700 0.213 0.000 1.059 242 T CA 1.357 63.696 62.100 0.398 0.000 1.137 242 T CB -0.605 68.505 68.868 0.404 0.000 0.879 242 T HN 0.207 nan 8.240 nan 0.000 0.467 243 D N 1.374 121.927 120.400 0.255 0.000 2.097 243 D HA 0.135 4.775 4.640 -0.000 0.000 0.197 243 D C 1.270 177.634 176.300 0.107 0.000 0.984 243 D CA 0.448 54.588 54.000 0.234 0.000 0.826 243 D CB -0.367 40.615 40.800 0.304 0.000 0.973 243 D HN 0.461 nan 8.370 nan 0.000 0.460 247 Y N 1.165 121.409 120.300 -0.093 0.000 2.365 247 Y HA 0.177 4.727 4.550 0.000 0.000 0.293 247 Y C 2.033 177.859 175.900 -0.124 0.000 1.119 247 Y CA 1.199 59.231 58.100 -0.113 0.000 1.203 247 Y CB 0.488 38.855 38.460 -0.155 0.000 1.026 247 Y HN 0.204 nan 8.280 nan 0.000 0.549 248 C N -1.214 118.083 119.300 -0.005 0.000 3.019 248 C HA 0.093 4.553 4.460 -0.000 0.000 0.295 248 C C 0.535 175.480 174.990 -0.076 0.000 1.256 248 C CA -0.289 58.684 59.018 -0.077 0.000 1.706 248 C CB -0.595 27.038 27.740 -0.179 0.000 2.153 248 C HN 0.468 nan 8.230 nan 0.000 0.618 249 Q N 0.649 120.409 119.800 -0.067 0.000 2.443 249 Q HA -0.159 4.181 4.340 -0.000 0.000 0.337 249 Q C -2.244 173.741 176.000 -0.024 0.000 1.401 249 Q CA 0.176 55.952 55.803 -0.044 0.000 0.943 249 Q CB -1.393 27.327 28.738 -0.029 0.000 1.177 249 Q HN 0.549 nan 8.270 nan 0.000 0.394 250 P HA -0.066 nan 4.420 nan 0.000 0.274 250 P C 0.191 177.529 177.300 0.064 0.000 1.237 250 P CA -0.102 63.025 63.100 0.044 0.000 0.793 250 P CB 0.900 32.642 31.700 0.070 0.000 0.977 251 Q N 0.901 120.772 119.800 0.118 0.000 2.167 251 Q HA -0.030 4.310 4.340 -0.000 0.000 0.202 251 Q C 0.099 176.142 176.000 0.072 0.000 0.970 251 Q CA 0.898 56.764 55.803 0.105 0.000 0.855 251 Q CB 0.159 28.995 28.738 0.164 0.000 0.911 251 Q HN 0.643 nan 8.270 nan 0.000 0.438 252 S N -0.818 114.937 115.700 0.091 0.000 2.556 252 S HA 0.649 5.119 4.470 -0.000 0.000 0.271 252 S C -1.330 173.362 174.600 0.154 0.000 1.135 252 S CA -1.064 57.165 58.200 0.049 0.000 0.858 252 S CB 2.146 65.209 63.200 -0.229 0.000 1.114 252 S HN 0.177 nan 8.310 nan 0.000 0.468 253 L N 0.763 122.137 121.223 0.252 0.000 2.549 253 L HA 0.797 5.137 4.340 -0.000 0.000 0.259 253 L C -1.463 175.599 176.870 0.321 0.000 0.934 253 L CA 0.216 55.173 54.840 0.194 0.000 0.865 253 L CB 2.155 44.123 42.059 -0.151 0.000 1.352 253 L HN 0.965 nan 8.230 nan 0.000 0.410 254 T N 3.550 118.234 114.554 0.217 0.000 2.881 254 T HA 0.745 5.095 4.350 -0.000 0.000 0.290 254 T C -1.306 173.425 174.700 0.051 0.000 1.000 254 T CA -0.474 61.671 62.100 0.076 0.000 0.978 254 T CB 1.851 70.675 68.868 -0.072 0.000 0.997 254 T HN 0.377 nan 8.240 nan 0.000 0.443 255 V N 4.064 123.992 119.914 0.024 0.000 2.444 255 V HA 0.558 4.678 4.120 -0.000 0.000 0.294 255 V C -1.460 174.623 176.094 -0.019 0.000 1.022 255 V CA -0.843 61.487 62.300 0.051 0.000 0.850 255 V CB 1.450 33.364 31.823 0.152 0.000 0.992 255 V HN 0.839 nan 8.190 nan 0.000 0.426 256 Y N 4.226 124.454 120.300 -0.119 0.000 2.354 256 Y HA 0.805 5.355 4.550 -0.000 0.000 0.330 256 Y C -0.264 175.608 175.900 -0.047 0.000 1.011 256 Y CA -1.208 56.853 58.100 -0.065 0.000 1.099 256 Y CB 1.664 40.151 38.460 0.045 0.000 1.179 256 Y HN 0.764 nan 8.280 nan 0.000 0.442 257 A N 6.575 129.287 122.820 -0.181 0.000 2.355 257 A HA 0.906 5.226 4.320 -0.000 0.000 0.324 257 A C -1.063 176.204 177.584 -0.527 0.000 1.117 257 A CA -1.036 50.747 52.037 -0.423 0.000 0.785 257 A CB 1.243 20.017 19.000 -0.377 0.000 1.254 257 A HN 0.784 nan 8.150 nan 0.000 0.453 258 R N 1.318 121.458 120.500 -0.600 0.000 2.435 258 R HA 0.425 4.765 4.340 -0.000 0.000 0.308 258 R C -1.814 174.263 176.300 -0.372 0.000 0.975 258 R CA -0.214 55.651 56.100 -0.393 0.000 0.867 258 R CB 1.417 31.509 30.300 -0.347 0.000 1.171 258 R HN 0.746 nan 8.270 nan 0.000 0.470 259 Y N 0.586 120.762 120.300 -0.206 0.000 2.419 259 Y HA 0.188 4.738 4.550 0.000 0.000 0.328 259 Y C 1.336 177.192 175.900 -0.073 0.000 1.162 259 Y CA -0.395 57.578 58.100 -0.211 0.000 1.174 259 Y CB 1.632 39.809 38.460 -0.472 0.000 1.228 259 Y HN 0.503 nan 8.280 nan 0.000 0.473 260 T N 0.125 114.780 114.554 0.168 0.000 2.898 260 T HA 0.266 4.616 4.350 -0.000 0.000 0.301 260 T C 0.091 174.878 174.700 0.145 0.000 1.049 260 T CA -1.073 61.107 62.100 0.133 0.000 1.095 260 T CB 0.487 69.437 68.868 0.137 0.000 0.976 260 T HN 0.744 nan 8.240 nan 0.000 0.539 261 R N 1.508 122.067 120.500 0.097 0.000 2.694 261 R HA 0.362 4.702 4.340 -0.000 0.000 0.268 261 R C -0.392 175.961 176.300 0.090 0.000 1.061 261 R CA -0.698 55.464 56.100 0.103 0.000 1.133 261 R CB 0.459 30.814 30.300 0.092 0.000 1.020 261 R HN 0.564 nan 8.270 nan 0.000 0.475 262 R N 1.232 121.778 120.500 0.076 0.000 2.532 262 R HA 0.244 4.584 4.340 -0.000 0.000 0.297 262 R C -0.065 176.265 176.300 0.050 0.000 0.984 262 R CA -0.200 55.934 56.100 0.056 0.000 0.884 262 R CB 1.900 32.217 30.300 0.028 0.000 1.182 262 R HN 1.086 nan 8.270 nan 0.000 0.442 263 G N 1.020 109.847 108.800 0.045 0.000 2.249 263 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.273 263 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.273 263 G C 0.825 175.756 174.900 0.053 0.000 1.036 263 G CA 1.012 46.139 45.100 0.046 0.000 0.824 263 G HN 1.212 nan 8.290 nan 0.000 0.504 264 G N -2.724 106.113 108.800 0.062 0.000 2.175 264 G HA2 0.097 4.057 3.960 -0.000 0.000 0.244 264 G HA3 0.097 4.057 3.960 -0.000 0.000 0.244 264 G C 0.166 175.165 174.900 0.165 0.000 0.982 264 G CA 0.745 45.901 45.100 0.094 0.000 0.641 264 G HN 2.064 nan 8.290 nan 0.000 0.527 265 L N -0.805 120.495 121.223 0.129 0.000 2.409 265 L HA 0.945 5.285 4.340 -0.000 0.000 0.262 265 L C -0.695 176.259 176.870 0.140 0.000 0.992 265 L CA -1.983 52.940 54.840 0.137 0.000 0.817 265 L CB 1.296 43.350 42.059 -0.009 0.000 1.350 265 L HN 0.226 nan 8.230 nan 0.000 0.411 266 D N 0.491 120.977 120.400 0.143 0.000 2.350 266 D HA 0.750 5.390 4.640 -0.000 0.000 0.238 266 D C -0.599 175.586 176.300 -0.192 0.000 0.989 266 D CA -0.378 53.650 54.000 0.045 0.000 0.921 266 D CB 1.759 42.656 40.800 0.161 0.000 1.297 266 D HN 0.584 nan 8.370 nan 0.000 0.490 267 I N 0.415 120.800 120.570 -0.308 0.000 2.474 267 I HA 0.357 4.527 4.170 -0.000 0.000 0.294 267 I C -0.523 175.512 176.117 -0.136 0.000 1.005 267 I CA -0.966 59.979 61.300 -0.592 0.000 1.113 267 I CB 1.610 39.144 38.000 -0.777 0.000 1.289 267 I HN 0.272 nan 8.210 nan 0.000 0.436 268 N N 6.377 125.023 118.700 -0.090 0.000 2.727 268 N HA 0.292 5.032 4.740 -0.000 0.000 0.252 268 N C -2.837 172.807 175.510 0.224 0.000 1.283 268 N CA -1.176 51.929 53.050 0.092 0.000 0.782 268 N CB 1.848 40.424 38.487 0.147 0.000 1.199 268 N HN 0.202 nan 8.380 nan 0.000 0.520 269 P HA 0.249 nan 4.420 nan 0.000 0.280 269 P C -0.955 176.564 177.300 0.365 0.000 1.244 269 P CA -0.149 63.083 63.100 0.220 0.000 0.784 269 P CB 0.409 32.185 31.700 0.127 0.000 0.913 270 F N 4.268 124.298 119.950 0.134 0.000 2.477 270 F HA 0.556 5.083 4.527 -0.000 0.000 0.335 270 F C -0.405 175.355 175.800 -0.067 0.000 1.130 270 F CA -0.633 57.403 58.000 0.060 0.000 0.948 270 F CB 1.307 40.208 39.000 -0.165 0.000 1.154 270 F HN 0.071 nan 8.300 nan 0.000 0.439 271 R N 4.120 124.325 120.500 -0.491 0.000 2.575 271 R HA 0.565 4.905 4.340 -0.000 0.000 0.293 271 R C -1.361 174.667 176.300 -0.454 0.000 0.983 271 R CA -0.872 54.933 56.100 -0.492 0.000 0.887 271 R CB 1.660 31.514 30.300 -0.744 0.000 1.184 271 R HN 0.672 nan 8.270 nan 0.000 0.445 272 S N -0.256 115.292 115.700 -0.254 0.000 2.556 272 S HA 0.232 4.702 4.470 -0.000 0.000 0.271 272 S C 0.770 175.513 174.600 0.238 0.000 1.135 272 S CA -0.279 57.950 58.200 0.047 0.000 0.858 272 S CB 1.425 64.561 63.200 -0.106 0.000 1.114 272 S HN 0.587 nan 8.310 nan 0.000 0.468 273 S N 1.916 117.930 115.700 0.523 0.000 2.461 273 S HA -0.021 4.449 4.470 -0.000 0.000 0.228 273 S C 1.031 175.860 174.600 0.382 0.000 1.005 273 S CA 1.477 59.965 58.200 0.479 0.000 0.942 273 S CB -0.704 62.796 63.200 0.500 0.000 0.776 273 S HN 1.007 nan 8.310 nan 0.000 0.514 274 H N -1.519 117.658 119.070 0.178 0.000 3.207 274 H HA 0.441 4.997 4.556 -0.000 0.000 0.237 274 H C 0.495 175.906 175.328 0.140 0.000 0.959 274 H CA -0.646 55.483 56.048 0.135 0.000 1.091 274 H CB -0.126 29.703 29.762 0.112 0.000 1.447 274 H HN 0.257 nan 8.280 nan 0.000 0.477 275 Q N 0.883 120.501 119.800 -0.303 0.000 2.221 275 Q HA 0.422 4.762 4.340 -0.000 0.000 0.242 275 Q C 0.110 176.183 176.000 0.122 0.000 0.940 275 Q CA -0.184 55.557 55.803 -0.103 0.000 0.896 275 Q CB 2.117 30.805 28.738 -0.083 0.000 1.226 275 Q HN 0.228 nan 8.270 nan 0.000 0.463 276 S N -0.165 115.554 115.700 0.032 0.000 2.475 276 S HA 0.322 4.792 4.470 -0.000 0.000 0.224 276 S C -0.023 174.441 174.600 -0.227 0.000 1.042 276 S CA 0.314 58.510 58.200 -0.007 0.000 0.935 276 S CB 0.650 63.823 63.200 -0.044 0.000 0.801 276 S HN 0.685 nan 8.310 nan 0.000 0.509 277 A N 1.412 123.847 122.820 -0.641 0.000 2.608 277 A HA 0.670 4.990 4.320 -0.000 0.000 0.292 277 A C -3.140 173.615 177.584 -1.382 0.000 1.066 277 A CA -1.352 50.006 52.037 -1.132 0.000 0.676 277 A CB 0.373 19.070 19.000 -0.505 0.000 1.277 277 A HN 0.036 nan 8.150 nan 0.000 0.413 278 P HA 0.282 nan 4.420 nan 0.000 0.274 278 P C 0.100 177.088 177.300 -0.521 0.000 1.256 278 P CA -0.285 62.281 63.100 -0.891 0.000 0.795 278 P CB 0.497 31.628 31.700 -0.948 0.000 1.038 279 N N -0.809 117.660 118.700 -0.385 0.000 2.309 279 N HA -0.098 4.642 4.740 -0.000 0.000 0.182 279 N C 0.832 176.289 175.510 -0.088 0.000 1.018 279 N CA 0.720 53.659 53.050 -0.184 0.000 0.876 279 N CB -0.215 38.261 38.487 -0.018 0.000 0.972 279 N HN 0.643 nan 8.380 nan 0.000 0.434 280 H N -1.822 117.223 119.070 -0.043 0.000 2.943 280 H HA 0.328 4.884 4.556 0.000 0.000 0.323 280 H C -1.348 174.001 175.328 0.034 0.000 1.296 280 H CA -0.850 55.197 56.048 -0.002 0.000 1.155 280 H CB 1.108 30.883 29.762 0.022 0.000 1.882 280 H HN -0.209 nan 8.280 nan 0.000 0.553 281 N N 0.666 119.511 118.700 0.242 0.000 2.818 281 N HA 0.106 4.846 4.740 -0.000 0.000 0.301 281 N C -1.266 174.419 175.510 0.291 0.000 1.821 281 N CA -0.187 53.002 53.050 0.232 0.000 0.930 281 N CB 0.402 38.981 38.487 0.153 0.000 1.263 281 N HN 0.454 nan 8.380 nan 0.000 0.487 282 Q N 0.814 120.877 119.800 0.437 0.000 2.243 282 Q HA 0.310 4.650 4.340 -0.000 0.000 0.252 282 Q C 0.468 176.598 176.000 0.216 0.000 0.909 282 Q CA -0.682 55.265 55.803 0.239 0.000 0.922 282 Q CB 1.944 30.689 28.738 0.012 0.000 1.215 282 Q HN 0.475 nan 8.270 nan 0.000 0.427 286 R N 0.734 121.188 120.500 -0.076 0.000 2.297 286 R HA 0.200 4.540 4.340 -0.000 0.000 0.197 286 R C 0.736 176.992 176.300 -0.073 0.000 0.943 286 R CA 0.299 56.346 56.100 -0.089 0.000 1.038 286 R CB 0.088 30.331 30.300 -0.094 0.000 0.957 286 R HN 0.631 nan 8.270 nan 0.000 0.484 287 Q N 0.000 119.771 119.800 -0.048 0.000 2.315 287 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 287 Q CA 0.000 55.778 55.803 -0.042 0.000 1.022 287 Q CB 0.000 28.765 28.738 0.045 0.000 1.108 287 Q HN 0.000 nan 8.270 nan 0.000 0.481