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 1qj3_1_B DATA FIRST_RESID 1 DATA SEQUENCE MTTDDLAFDQ RHILHPYTSM TSPLPVYPVV SAEGCELILS DGRRLVDGMS DATA SEQUENCE SWWAAIHGYN HPQLNAAMKS QIDAMSHVMF GGITHAPAIE LCRKLVAMTP DATA SEQUENCE QPLECVFLAD SGSVAVEVAM KMALQYWQAK GEARQRFLTF RNGYHGDTFG DATA SEQUENCE AMSVCDPDNX XXXXXXXXLP ENLFAPAPQS RMXXEWDERD MVGFARLMAA DATA SEQUENCE HRHEIAAVII EPIVQGAGGM RMYHPEWLKR IRKICDREGI LLIADEIATG DATA SEQUENCE FGRTGKLFAC EHAEIAPDIL CLGKALTGGT MTLSATLTTR EVAETISNGX DATA SEQUENCE XGCFMHGPTF MGNPLACAAA NASLAILESG DWQQQVADIE VQLREQLAPA DATA SEQUENCE RDAEMVADVR VLGAIGVVET THPVNMAALQ KFFVEQGVWI RPFGKLIYLM DATA SEQUENCE PPYIILPQQL QRLTAAVNRA VQDETFFC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.295 176.300 -0.008 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.009 0.000 1.302 2 T N -3.369 111.183 114.554 -0.003 0.000 2.905 2 T HA 0.493 4.844 4.350 0.001 0.000 0.283 2 T C 0.828 175.534 174.700 0.010 0.000 1.031 2 T CA 0.119 62.220 62.100 0.000 0.000 1.002 2 T CB 1.546 70.413 68.868 -0.002 0.000 1.200 2 T HN 0.828 nan 8.240 nan 0.000 0.560 3 T N -1.708 112.852 114.554 0.011 0.000 2.985 3 T HA -0.091 4.260 4.350 0.001 0.000 0.266 3 T C 1.421 176.140 174.700 0.033 0.000 1.076 3 T CA 1.844 63.953 62.100 0.015 0.000 1.135 3 T CB -0.800 68.073 68.868 0.009 0.000 0.890 3 T HN 0.739 nan 8.240 nan 0.000 0.480 4 D N 0.736 121.159 120.400 0.037 0.000 2.149 4 D HA -0.095 4.546 4.640 0.001 0.000 0.201 4 D C 1.757 178.115 176.300 0.097 0.000 0.972 4 D CA 1.036 55.074 54.000 0.064 0.000 0.835 4 D CB -0.344 40.483 40.800 0.045 0.000 0.966 4 D HN 0.289 nan 8.370 nan 0.000 0.476 5 D N 0.160 120.596 120.400 0.060 0.000 2.092 5 D HA -0.141 4.500 4.640 0.001 0.000 0.193 5 D C 2.230 178.609 176.300 0.131 0.000 0.994 5 D CA 0.873 54.919 54.000 0.077 0.000 0.828 5 D CB -0.290 40.527 40.800 0.027 0.000 0.963 5 D HN 0.340 nan 8.370 nan 0.000 0.450 6 L N 0.486 121.756 121.223 0.078 0.000 2.141 6 L HA -0.079 4.261 4.340 0.001 0.000 0.209 6 L C 2.524 179.436 176.870 0.069 0.000 1.094 6 L CA 0.813 55.689 54.840 0.061 0.000 0.763 6 L CB -0.430 41.634 42.059 0.009 0.000 0.908 6 L HN -0.039 nan 8.230 nan 0.000 0.437 7 A N 0.085 122.955 122.820 0.083 0.000 1.902 7 A HA -0.246 4.075 4.320 0.001 0.000 0.217 7 A C 2.168 179.812 177.584 0.099 0.000 1.181 7 A CA 1.311 53.389 52.037 0.068 0.000 0.623 7 A CB -0.738 18.306 19.000 0.072 0.000 0.818 7 A HN 0.359 nan 8.150 nan 0.000 0.443 8 F N 1.182 121.171 119.950 0.065 0.000 2.102 8 F HA -0.207 4.319 4.527 -0.002 0.000 0.298 8 F C 2.160 178.035 175.800 0.125 0.000 1.105 8 F CA 2.183 60.267 58.000 0.139 0.000 1.239 8 F CB -0.155 38.912 39.000 0.112 0.000 0.991 8 F HN 0.436 nan 8.300 nan 0.000 0.474 9 D N -0.112 120.437 120.400 0.249 0.000 2.106 9 D HA -0.309 4.331 4.640 0.001 0.000 0.191 9 D C 2.096 178.424 176.300 0.047 0.000 0.997 9 D CA 1.861 55.965 54.000 0.174 0.000 0.834 9 D CB -0.427 40.490 40.800 0.195 0.000 0.956 9 D HN 0.517 nan 8.370 nan 0.000 0.448 10 Q N -0.091 119.708 119.800 -0.003 0.000 2.170 10 Q HA -0.188 4.152 4.340 0.001 0.000 0.203 10 Q C 2.288 178.203 176.000 -0.141 0.000 0.976 10 Q CA 1.265 57.036 55.803 -0.052 0.000 0.858 10 Q CB 0.060 28.765 28.738 -0.056 0.000 0.907 10 Q HN 0.088 nan 8.270 nan 0.000 0.433 11 R N -1.303 119.037 120.500 -0.265 0.000 2.112 11 R HA -0.037 4.304 4.340 0.001 0.000 0.216 11 R C 1.582 177.408 176.300 -0.790 0.000 1.080 11 R CA 1.420 57.223 56.100 -0.496 0.000 0.996 11 R CB 0.126 30.100 30.300 -0.544 0.000 0.902 11 R HN 0.344 nan 8.270 nan 0.000 0.449 12 H N -1.084 117.719 119.070 -0.445 0.000 2.729 12 H HA 0.278 4.836 4.556 0.003 0.000 0.263 12 H C -0.004 175.185 175.328 -0.232 0.000 0.961 12 H CA 0.245 56.026 56.048 -0.446 0.000 1.217 12 H CB 0.799 29.972 29.762 -0.983 0.000 1.447 12 H HN 0.098 nan 8.280 nan 0.000 0.496 13 I N 2.303 122.835 120.570 -0.064 0.000 2.339 13 I HA 0.115 4.285 4.170 0.001 0.000 0.290 13 I C -0.497 175.612 176.117 -0.015 0.000 0.994 13 I CA -0.796 60.491 61.300 -0.022 0.000 1.191 13 I CB 1.792 39.793 38.000 0.001 0.000 1.343 13 I HN -0.209 nan 8.210 nan 0.000 0.458 14 L N 7.094 128.290 121.223 -0.047 0.000 2.360 14 L HA 0.208 4.549 4.340 0.001 0.000 0.276 14 L C 0.551 177.369 176.870 -0.088 0.000 1.121 14 L CA 0.432 55.262 54.840 -0.016 0.000 0.845 14 L CB -0.145 41.901 42.059 -0.023 0.000 1.143 14 L HN 0.496 nan 8.230 nan 0.000 0.452 15 H N 3.287 122.366 119.070 0.015 0.000 2.523 15 H HA 0.392 4.949 4.556 0.001 0.000 0.345 15 H C -2.006 173.339 175.328 0.027 0.000 1.261 15 H CA -1.697 54.374 56.048 0.039 0.000 1.343 15 H CB 0.979 30.778 29.762 0.062 0.000 1.650 15 H HN 0.381 nan 8.280 nan 0.000 0.591 16 P HA 0.009 nan 4.420 nan 0.000 0.271 16 P C -0.842 176.529 177.300 0.118 0.000 1.216 16 P CA -0.087 63.007 63.100 -0.010 0.000 0.776 16 P CB -0.013 31.762 31.700 0.124 0.000 0.881 17 Y N -1.225 119.138 120.300 0.106 0.000 3.001 17 Y HA -0.212 4.339 4.550 0.002 0.000 0.207 17 Y C 0.875 176.839 175.900 0.106 0.000 1.231 17 Y CA 1.246 59.398 58.100 0.086 0.000 1.024 17 Y CB -2.648 35.849 38.460 0.062 0.000 1.267 17 Y HN 0.484 nan 8.280 nan 0.000 0.501 18 T N -2.110 112.554 114.554 0.184 0.000 2.681 18 T HA 0.686 5.036 4.350 0.001 0.000 0.296 18 T C -0.506 174.254 174.700 0.100 0.000 1.157 18 T CA -0.128 62.061 62.100 0.148 0.000 1.025 18 T CB 1.823 70.780 68.868 0.149 0.000 1.441 18 T HN 0.309 nan 8.240 nan 0.000 0.504 19 S N 0.771 116.517 115.700 0.077 0.000 2.617 19 S HA 0.458 4.929 4.470 0.001 0.000 0.283 19 S C 1.135 175.757 174.600 0.036 0.000 1.189 19 S CA -0.753 57.478 58.200 0.051 0.000 1.036 19 S CB 0.863 64.088 63.200 0.041 0.000 1.014 19 S HN 0.665 nan 8.310 nan 0.000 0.522 20 M N 2.582 122.194 119.600 0.019 0.000 2.476 20 M HA 0.009 4.489 4.480 0.001 0.000 0.262 20 M C 2.008 178.295 176.300 -0.021 0.000 1.111 20 M CA 1.254 56.553 55.300 -0.003 0.000 1.127 20 M CB -1.032 31.560 32.600 -0.013 0.000 1.376 20 M HN 0.953 nan 8.290 nan 0.000 0.465 21 T N -3.199 111.349 114.554 -0.011 0.000 3.057 21 T HA 0.110 4.461 4.350 0.001 0.000 0.254 21 T C 0.769 175.462 174.700 -0.012 0.000 1.094 21 T CA 0.335 62.425 62.100 -0.018 0.000 1.088 21 T CB 0.052 68.914 68.868 -0.009 0.000 0.934 21 T HN 0.115 nan 8.240 nan 0.000 0.497 22 S N 2.886 118.586 115.700 0.000 0.000 2.235 22 S HA 0.428 4.899 4.470 0.001 0.000 0.152 22 S C -2.810 171.797 174.600 0.012 0.000 1.649 22 S CA -1.004 57.199 58.200 0.005 0.000 1.277 22 S CB 1.088 64.296 63.200 0.014 0.000 1.299 22 S HN 0.368 nan 8.310 nan 0.000 0.388 23 P HA 0.213 nan 4.420 nan 0.000 0.271 23 P C -0.390 176.909 177.300 -0.002 0.000 1.233 23 P CA -0.629 62.475 63.100 0.007 0.000 0.789 23 P CB 0.397 32.089 31.700 -0.013 0.000 0.951 24 L N -0.893 120.331 121.223 0.002 0.000 2.334 24 L HA 0.676 5.017 4.340 0.001 0.000 0.272 24 L C -2.671 174.171 176.870 -0.047 0.000 1.020 24 L CA -2.710 52.131 54.840 0.002 0.000 0.812 24 L CB -0.247 41.837 42.059 0.042 0.000 1.264 24 L HN 0.171 nan 8.230 nan 0.000 0.439 25 P HA 0.091 nan 4.420 nan 0.000 0.263 25 P C -0.384 176.788 177.300 -0.214 0.000 1.168 25 P CA 0.124 63.115 63.100 -0.180 0.000 0.759 25 P CB 0.431 32.015 31.700 -0.194 0.000 0.782 26 V N 1.592 121.306 119.914 -0.333 0.000 2.715 26 V HA 0.580 4.701 4.120 0.001 0.000 0.310 26 V C -1.226 174.618 176.094 -0.416 0.000 1.054 26 V CA -0.914 61.226 62.300 -0.266 0.000 0.928 26 V CB 1.630 33.262 31.823 -0.318 0.000 1.007 26 V HN 0.277 nan 8.190 nan 0.000 0.437 27 Y N 3.887 124.150 120.300 -0.061 0.000 2.335 27 Y HA 0.665 5.215 4.550 0.001 0.000 0.338 27 Y C -2.087 173.729 175.900 -0.139 0.000 0.977 27 Y CA -2.435 55.616 58.100 -0.082 0.000 1.114 27 Y CB 1.834 40.256 38.460 -0.064 0.000 1.182 27 Y HN 0.561 nan 8.280 nan 0.000 0.463 28 P HA 0.170 nan 4.420 nan 0.000 0.280 28 P C -0.910 176.353 177.300 -0.062 0.000 1.300 28 P CA -0.089 62.990 63.100 -0.035 0.000 0.785 28 P CB 0.984 32.669 31.700 -0.026 0.000 0.874 29 V N 5.006 124.856 119.914 -0.107 0.000 2.370 29 V HA 0.074 4.195 4.120 0.001 0.000 0.279 29 V C 1.712 177.736 176.094 -0.117 0.000 1.029 29 V CA -0.323 61.887 62.300 -0.151 0.000 0.870 29 V CB 1.493 33.167 31.823 -0.248 0.000 0.984 29 V HN 0.465 nan 8.190 nan 0.000 0.451 30 V N 2.060 121.913 119.914 -0.102 0.000 2.992 30 V HA 0.299 4.419 4.120 0.001 0.000 0.250 30 V C 0.675 176.717 176.094 -0.087 0.000 1.090 30 V CA 1.157 63.409 62.300 -0.079 0.000 1.101 30 V CB 0.122 31.909 31.823 -0.060 0.000 0.743 30 V HN 0.879 nan 8.190 nan 0.000 0.468 31 S N -1.111 114.521 115.700 -0.114 0.000 2.661 31 S HA 0.887 5.357 4.470 0.001 0.000 0.268 31 S C -0.732 173.767 174.600 -0.169 0.000 1.162 31 S CA -0.251 57.882 58.200 -0.111 0.000 0.817 31 S CB 1.365 64.521 63.200 -0.073 0.000 1.141 31 S HN 1.691 nan 8.310 nan 0.000 0.477 32 A N 0.368 123.094 122.820 -0.157 0.000 2.572 32 A HA 0.910 5.230 4.320 0.001 0.000 0.295 32 A C -1.333 176.211 177.584 -0.066 0.000 1.072 32 A CA -0.577 51.318 52.037 -0.238 0.000 0.691 32 A CB 1.575 20.261 19.000 -0.524 0.000 1.291 32 A HN 1.269 nan 8.150 nan 0.000 0.404 33 E N 0.890 121.077 120.200 -0.022 0.000 2.381 33 E HA 0.541 4.891 4.350 0.001 0.000 0.286 33 E C 0.393 177.049 176.600 0.094 0.000 0.960 33 E CA -0.508 55.925 56.400 0.054 0.000 0.793 33 E CB 0.929 30.634 29.700 0.009 0.000 1.225 33 E HN 2.283 nan 8.360 nan 0.000 0.420 34 G N 1.843 110.716 108.800 0.121 0.000 2.602 34 G HA2 -0.399 3.561 3.960 0.001 0.000 0.310 34 G HA3 -0.399 3.561 3.960 0.001 0.000 0.310 34 G C 0.565 175.579 174.900 0.190 0.000 1.183 34 G CA 0.483 45.653 45.100 0.115 0.000 0.979 34 G HN 0.927 nan 8.290 nan 0.000 0.545 35 C N 1.846 121.233 119.300 0.145 0.000 2.994 35 C HA 0.566 5.027 4.460 0.001 0.000 0.284 35 C C 0.477 175.550 174.990 0.139 0.000 1.404 35 C CA -0.372 58.757 59.018 0.184 0.000 1.775 35 C CB -1.072 26.740 27.740 0.119 0.000 2.458 35 C HN 0.484 nan 8.230 nan 0.000 0.593 36 E N 0.819 121.061 120.200 0.069 0.000 2.195 36 E HA 0.583 4.933 4.350 0.001 0.000 0.271 36 E C -1.043 175.446 176.600 -0.185 0.000 0.923 36 E CA -0.369 56.008 56.400 -0.038 0.000 0.790 36 E CB 1.737 31.417 29.700 -0.034 0.000 1.155 36 E HN 0.337 nan 8.360 nan 0.000 0.402 37 L N 3.420 124.498 121.223 -0.241 0.000 2.296 37 L HA 0.479 4.819 4.340 0.001 0.000 0.286 37 L C -0.353 176.377 176.870 -0.233 0.000 1.023 37 L CA -0.689 53.938 54.840 -0.356 0.000 0.812 37 L CB 0.837 42.619 42.059 -0.462 0.000 1.223 37 L HN 0.379 nan 8.230 nan 0.000 0.421 38 I N 3.900 124.348 120.570 -0.204 0.000 2.353 38 I HA 0.308 4.479 4.170 0.001 0.000 0.293 38 I C 0.086 176.124 176.117 -0.132 0.000 0.992 38 I CA -0.148 61.070 61.300 -0.136 0.000 1.268 38 I CB 1.226 39.165 38.000 -0.102 0.000 1.387 38 I HN 0.393 nan 8.210 nan 0.000 0.478 39 L N 3.903 125.067 121.223 -0.099 0.000 2.431 39 L HA 0.315 4.656 4.340 0.001 0.000 0.260 39 L C 1.557 178.397 176.870 -0.051 0.000 1.098 39 L CA -0.300 54.494 54.840 -0.077 0.000 0.800 39 L CB 1.152 43.186 42.059 -0.042 0.000 1.210 39 L HN 0.596 nan 8.230 nan 0.000 0.465 40 S N 0.299 115.977 115.700 -0.037 0.000 2.402 40 S HA -0.189 4.282 4.470 0.001 0.000 0.233 40 S C 1.273 175.861 174.600 -0.019 0.000 1.030 40 S CA 1.929 60.112 58.200 -0.028 0.000 1.003 40 S CB -0.270 62.918 63.200 -0.020 0.000 0.813 40 S HN 0.893 nan 8.310 nan 0.000 0.477 41 D N -1.196 119.198 120.400 -0.011 0.000 2.355 41 D HA 0.217 4.858 4.640 0.001 0.000 0.218 41 D C 1.305 177.597 176.300 -0.013 0.000 1.004 41 D CA 1.053 55.048 54.000 -0.007 0.000 0.880 41 D CB -0.454 40.348 40.800 0.004 0.000 0.911 41 D HN 0.484 nan 8.370 nan 0.000 0.528 42 G N -0.097 108.690 108.800 -0.021 0.000 2.278 42 G HA2 -0.257 3.704 3.960 0.001 0.000 0.210 42 G HA3 -0.257 3.704 3.960 0.001 0.000 0.210 42 G C 0.304 175.187 174.900 -0.029 0.000 1.000 42 G CA -0.279 44.806 45.100 -0.025 0.000 0.635 42 G HN 0.380 nan 8.290 nan 0.000 0.495 43 R N 1.076 121.561 120.500 -0.025 0.000 2.585 43 R HA 0.412 4.752 4.340 0.001 0.000 0.275 43 R C 0.472 176.744 176.300 -0.047 0.000 1.018 43 R CA 0.382 56.465 56.100 -0.029 0.000 1.072 43 R CB 0.302 30.589 30.300 -0.021 0.000 0.953 43 R HN 0.353 nan 8.270 nan 0.000 0.419 44 R N 2.623 123.096 120.500 -0.046 0.000 2.604 44 R HA 0.507 4.847 4.340 0.001 0.000 0.287 44 R C -0.568 175.699 176.300 -0.055 0.000 0.970 44 R CA -0.704 55.361 56.100 -0.057 0.000 0.946 44 R CB 1.198 31.471 30.300 -0.045 0.000 1.127 44 R HN 0.352 nan 8.270 nan 0.000 0.473 45 L N 2.105 123.289 121.223 -0.066 0.000 2.409 45 L HA 0.418 4.758 4.340 0.001 0.000 0.272 45 L C -0.525 176.334 176.870 -0.018 0.000 0.980 45 L CA -1.270 53.547 54.840 -0.038 0.000 0.826 45 L CB 2.200 44.243 42.059 -0.027 0.000 1.268 45 L HN 0.311 nan 8.230 nan 0.000 0.407 46 V N 1.411 121.325 119.914 -0.001 0.000 2.521 46 V HA -0.009 4.112 4.120 0.001 0.000 0.286 46 V C 0.025 176.151 176.094 0.053 0.000 1.034 46 V CA 0.102 62.412 62.300 0.017 0.000 1.045 46 V CB 1.185 33.008 31.823 0.001 0.000 0.974 46 V HN 0.668 nan 8.190 nan 0.000 0.480 47 D N 4.120 124.575 120.400 0.091 0.000 2.316 47 D HA 0.383 5.023 4.640 0.001 0.000 0.245 47 D C 0.965 177.333 176.300 0.113 0.000 1.171 47 D CA 0.197 54.293 54.000 0.160 0.000 0.856 47 D CB 1.506 42.446 40.800 0.233 0.000 1.090 47 D HN 0.566 nan 8.370 nan 0.000 0.476 48 G N 3.159 111.988 108.800 0.049 0.000 3.088 48 G HA2 -0.026 3.935 3.960 0.001 0.000 0.217 48 G HA3 -0.026 3.935 3.960 0.001 0.000 0.217 48 G C 0.938 175.845 174.900 0.013 0.000 1.159 48 G CA -0.007 45.080 45.100 -0.021 0.000 0.760 48 G HN 0.449 nan 8.290 nan 0.000 0.550 49 M N -0.120 119.538 119.600 0.096 0.000 2.367 49 M HA 0.281 4.762 4.480 0.001 0.000 0.256 49 M C 1.312 177.784 176.300 0.288 0.000 1.091 49 M CA -0.126 55.287 55.300 0.187 0.000 1.049 49 M CB -0.253 32.421 32.600 0.123 0.000 1.406 49 M HN 0.070 nan 8.290 nan 0.000 0.498 50 S N 1.341 117.172 115.700 0.218 0.000 3.587 50 S HA -0.144 4.326 4.470 0.001 0.000 0.337 50 S C 0.327 175.024 174.600 0.162 0.000 1.119 50 S CA 0.737 59.026 58.200 0.149 0.000 0.976 50 S CB -1.655 61.617 63.200 0.120 0.000 0.922 50 S HN 0.601 nan 8.310 nan 0.000 0.503 51 S N -0.463 115.362 115.700 0.208 0.000 3.572 51 S HA -0.191 4.279 4.470 0.001 0.000 0.394 51 S C 0.079 174.771 174.600 0.153 0.000 0.923 51 S CA 0.841 59.123 58.200 0.136 0.000 1.291 51 S CB -1.381 61.928 63.200 0.182 0.000 0.914 51 S HN 0.854 nan 8.310 nan 0.000 0.545 52 W N 1.614 122.921 121.300 0.011 0.000 6.199 52 W HA -0.237 4.422 4.660 -0.000 0.000 0.416 52 W C 0.448 176.740 176.519 -0.379 0.000 1.636 52 W CA 1.363 58.465 57.345 -0.405 0.000 1.040 52 W CB -2.604 26.553 29.460 -0.505 0.000 2.854 52 W HN 1.041 nan 8.180 nan 0.000 1.467 53 W N -3.358 118.099 121.300 0.262 0.000 3.572 53 W HA -0.370 4.291 4.660 0.002 0.000 0.298 53 W C 1.294 177.845 176.519 0.052 0.000 1.113 53 W CA 1.078 58.509 57.345 0.145 0.000 0.657 53 W CB -2.346 27.221 29.460 0.179 0.000 2.150 53 W HN 0.328 nan 8.180 nan 0.000 1.471 54 A N 0.194 123.105 122.820 0.151 0.000 1.943 54 A HA 0.515 4.835 4.320 0.001 0.000 0.213 54 A C 1.727 179.253 177.584 -0.098 0.000 1.181 54 A CA 1.120 53.179 52.037 0.037 0.000 0.653 54 A CB -0.456 18.562 19.000 0.030 0.000 0.833 54 A HN 0.672 nan 8.150 nan 0.000 0.451 55 A N 1.007 123.740 122.820 -0.144 0.000 3.037 55 A HA 0.446 4.766 4.320 0.001 0.000 0.272 55 A C 1.185 178.528 177.584 -0.403 0.000 1.723 55 A CA -0.021 51.822 52.037 -0.323 0.000 1.413 55 A CB -1.310 17.351 19.000 -0.565 0.000 1.112 55 A HN 0.743 nan 8.150 nan 0.000 0.606 56 I N -2.254 117.986 120.570 -0.549 0.000 2.493 56 I HA -0.147 4.024 4.170 0.001 0.000 0.254 56 I C 1.141 176.739 176.117 -0.865 0.000 1.160 56 I CA 1.204 61.928 61.300 -0.960 0.000 1.445 56 I CB -0.414 36.767 38.000 -1.365 0.000 1.086 56 I HN 0.542 nan 8.210 nan 0.000 0.433 57 H N 1.658 120.534 119.070 -0.322 0.000 2.520 57 H HA 0.450 5.006 4.556 0.001 0.000 0.284 57 H C 1.321 176.593 175.328 -0.094 0.000 1.037 57 H CA 0.458 56.404 56.048 -0.171 0.000 1.168 57 H CB -0.033 29.572 29.762 -0.263 0.000 1.497 57 H HN 0.537 nan 8.280 nan 0.000 0.547 58 G N 0.874 109.567 108.800 -0.178 0.000 2.632 58 G HA2 -0.260 3.701 3.960 0.001 0.000 0.224 58 G HA3 -0.260 3.701 3.960 0.001 0.000 0.224 58 G C -1.163 173.519 174.900 -0.363 0.000 1.341 58 G CA -0.615 44.353 45.100 -0.219 0.000 0.880 58 G HN 0.319 nan 8.290 nan 0.000 0.566 59 Y N 0.025 120.361 120.300 0.060 0.000 2.509 59 Y HA 0.655 5.205 4.550 0.000 0.000 0.341 59 Y C 1.169 177.098 175.900 0.048 0.000 1.038 59 Y CA -0.216 57.909 58.100 0.041 0.000 1.089 59 Y CB 1.667 40.126 38.460 -0.001 0.000 1.241 59 Y HN 0.731 nan 8.280 nan 0.000 0.468 60 N N 1.532 120.349 118.700 0.196 0.000 2.725 60 N HA -0.257 4.484 4.740 0.001 0.000 0.251 60 N C -0.908 174.651 175.510 0.081 0.000 1.031 60 N CA 0.458 53.576 53.050 0.112 0.000 0.720 60 N CB -1.072 37.461 38.487 0.076 0.000 0.930 60 N HN 0.700 nan 8.380 nan 0.000 0.543 61 H N 1.094 120.176 119.070 0.021 0.000 2.742 61 H HA 0.129 4.686 4.556 0.001 0.000 0.302 61 H C -1.288 174.030 175.328 -0.016 0.000 1.069 61 H CA -1.196 54.850 56.048 -0.002 0.000 1.446 61 H CB 1.247 30.995 29.762 -0.023 0.000 1.462 61 H HN 0.131 nan 8.280 nan 0.000 0.499 62 P HA -0.179 nan 4.420 nan 0.000 0.216 62 P C 1.149 178.503 177.300 0.089 0.000 1.150 62 P CA 1.096 64.190 63.100 -0.010 0.000 0.843 62 P CB 0.606 32.255 31.700 -0.083 0.000 0.787 63 Q N -0.438 119.508 119.800 0.243 0.000 2.046 63 Q HA -0.048 4.293 4.340 0.001 0.000 0.200 63 Q C 2.423 178.461 176.000 0.064 0.000 0.975 63 Q CA 1.279 57.168 55.803 0.144 0.000 0.836 63 Q CB -1.111 27.703 28.738 0.125 0.000 0.896 63 Q HN 0.239 nan 8.270 nan 0.000 0.428 64 L N 0.219 121.487 121.223 0.075 0.000 2.017 64 L HA -0.198 4.143 4.340 0.001 0.000 0.208 64 L C 1.848 178.729 176.870 0.018 0.000 1.073 64 L CA 1.023 55.859 54.840 -0.008 0.000 0.745 64 L CB -0.585 41.456 42.059 -0.030 0.000 0.894 64 L HN 0.266 nan 8.230 nan 0.000 0.432 65 N N 0.495 119.223 118.700 0.047 0.000 2.104 65 N HA -0.177 4.563 4.740 0.001 0.000 0.190 65 N C 1.847 177.366 175.510 0.016 0.000 1.024 65 N CA 1.661 54.728 53.050 0.028 0.000 0.853 65 N CB -0.387 38.117 38.487 0.030 0.000 1.008 65 N HN 0.329 nan 8.380 nan 0.000 0.424 66 A N 0.688 123.519 122.820 0.019 0.000 1.902 66 A HA 0.049 4.370 4.320 0.001 0.000 0.217 66 A C 2.343 179.929 177.584 0.005 0.000 1.181 66 A CA 1.900 53.943 52.037 0.011 0.000 0.623 66 A CB -0.868 18.140 19.000 0.013 0.000 0.818 66 A HN 0.323 nan 8.150 nan 0.000 0.443 67 A N -0.234 122.587 122.820 0.001 0.000 1.845 67 A HA -0.147 4.174 4.320 0.001 0.000 0.215 67 A C 2.285 179.866 177.584 -0.005 0.000 1.195 67 A CA 1.899 53.933 52.037 -0.005 0.000 0.616 67 A CB -0.641 18.349 19.000 -0.017 0.000 0.832 67 A HN 0.519 nan 8.150 nan 0.000 0.443 68 M N -0.677 118.918 119.600 -0.007 0.000 2.082 68 M HA -0.228 4.253 4.480 0.001 0.000 0.258 68 M C 2.190 178.488 176.300 -0.004 0.000 1.069 68 M CA 2.084 57.379 55.300 -0.008 0.000 1.102 68 M CB -0.515 32.079 32.600 -0.009 0.000 1.336 68 M HN 0.342 nan 8.290 nan 0.000 0.404 69 K N -0.371 120.028 120.400 -0.002 0.000 2.097 69 K HA -0.069 4.251 4.320 0.001 0.000 0.205 69 K C 2.226 178.826 176.600 -0.000 0.000 1.050 69 K CA 1.377 57.663 56.287 -0.001 0.000 0.938 69 K CB -0.158 32.342 32.500 0.000 0.000 0.718 69 K HN 0.172 nan 8.250 nan 0.000 0.442 70 S N 0.969 116.670 115.700 0.001 0.000 2.356 70 S HA -0.194 4.276 4.470 0.001 0.000 0.223 70 S C 1.974 176.575 174.600 0.001 0.000 1.032 70 S CA 1.380 59.582 58.200 0.002 0.000 1.005 70 S CB -0.151 63.051 63.200 0.004 0.000 0.867 70 S HN 0.243 nan 8.310 nan 0.000 0.449 71 Q N 1.160 120.960 119.800 -0.000 0.000 2.119 71 Q HA 0.067 4.408 4.340 0.001 0.000 0.201 71 Q C 1.807 177.804 176.000 -0.005 0.000 0.972 71 Q CA 1.392 57.193 55.803 -0.003 0.000 0.847 71 Q CB -0.507 28.229 28.738 -0.004 0.000 0.903 71 Q HN 0.588 nan 8.270 nan 0.000 0.433 72 I N 0.612 121.181 120.570 -0.003 0.000 2.264 72 I HA -0.278 3.893 4.170 0.001 0.000 0.248 72 I C 1.410 177.527 176.117 0.001 0.000 1.111 72 I CA 1.350 62.650 61.300 -0.000 0.000 1.382 72 I CB -0.261 37.739 38.000 -0.001 0.000 1.060 72 I HN 0.181 nan 8.210 nan 0.000 0.418 73 D N 0.699 121.099 120.400 0.000 0.000 2.218 73 D HA -0.123 4.518 4.640 0.001 0.000 0.204 73 D C 2.102 178.402 176.300 0.000 0.000 0.976 73 D CA 1.429 55.429 54.000 0.001 0.000 0.853 73 D CB 0.029 40.829 40.800 0.001 0.000 0.939 73 D HN 0.405 nan 8.370 nan 0.000 0.481 74 A N 0.026 122.845 122.820 -0.002 0.000 1.887 74 A HA 0.296 4.616 4.320 0.001 0.000 0.210 74 A C 0.967 178.546 177.584 -0.009 0.000 1.221 74 A CA 0.923 52.958 52.037 -0.004 0.000 0.635 74 A CB 0.078 19.075 19.000 -0.004 0.000 0.881 74 A HN 0.310 nan 8.150 nan 0.000 0.456 75 M N -3.020 116.573 119.600 -0.013 0.000 2.405 75 M HA 0.207 4.688 4.480 0.001 0.000 0.262 75 M C -0.449 175.847 176.300 -0.007 0.000 0.966 75 M CA -0.001 55.292 55.300 -0.013 0.000 0.840 75 M CB 0.436 33.015 32.600 -0.035 0.000 2.036 75 M HN -0.078 nan 8.290 nan 0.000 0.520 76 S N 0.163 115.880 115.700 0.028 0.000 2.387 76 S HA 0.002 4.472 4.470 0.001 0.000 0.226 76 S C 0.272 174.943 174.600 0.120 0.000 1.026 76 S CA 1.586 59.816 58.200 0.049 0.000 0.972 76 S CB -0.357 62.875 63.200 0.053 0.000 0.814 76 S HN 0.856 nan 8.310 nan 0.000 0.477 77 H N -1.076 117.996 119.070 0.003 0.000 3.012 77 H HA 0.729 5.285 4.556 0.000 0.000 0.367 77 H C -1.475 173.860 175.328 0.012 0.000 1.211 77 H CA -0.665 55.403 56.048 0.032 0.000 1.139 77 H CB 1.822 31.691 29.762 0.178 0.000 1.838 77 H HN -0.023 nan 8.280 nan 0.000 0.550 78 V N 5.108 124.530 119.914 -0.820 0.000 3.120 78 V HA 0.376 4.497 4.120 0.001 0.000 0.303 78 V C -0.318 175.391 176.094 -0.641 0.000 1.238 78 V CA -0.847 61.129 62.300 -0.539 0.000 1.008 78 V CB 2.018 33.713 31.823 -0.213 0.000 1.064 78 V HN 1.005 nan 8.190 nan 0.000 0.434 79 M N 2.912 122.342 119.600 -0.283 0.000 2.167 79 M HA 0.410 4.891 4.480 0.001 0.000 0.300 79 M C -0.154 176.227 176.300 0.136 0.000 1.171 79 M CA 0.625 55.883 55.300 -0.069 0.000 1.171 79 M CB 0.245 32.831 32.600 -0.024 0.000 1.396 79 M HN 0.567 nan 8.290 nan 0.000 0.466 80 F N -0.046 119.894 119.950 -0.017 0.000 2.706 80 F HA 0.431 4.959 4.527 0.000 0.000 0.308 80 F C 1.050 176.838 175.800 -0.021 0.000 1.095 80 F CA -0.743 57.257 58.000 0.000 0.000 1.244 80 F CB 0.306 39.310 39.000 0.006 0.000 1.063 80 F HN 0.757 nan 8.300 nan 0.000 0.582 81 G N -0.119 108.719 108.800 0.062 0.000 2.389 81 G HA2 0.393 4.354 3.960 0.001 0.000 0.287 81 G HA3 0.393 4.354 3.960 0.001 0.000 0.287 81 G C 1.089 175.956 174.900 -0.054 0.000 1.126 81 G CA 0.218 45.310 45.100 -0.012 0.000 1.073 81 G HN 0.734 nan 8.290 nan 0.000 0.429 82 G N 1.632 110.370 108.800 -0.104 0.000 2.155 82 G HA2 -0.272 3.688 3.960 0.001 0.000 0.257 82 G HA3 -0.272 3.688 3.960 0.001 0.000 0.257 82 G C 0.249 175.085 174.900 -0.107 0.000 0.983 82 G CA 0.618 45.660 45.100 -0.097 0.000 0.676 82 G HN 0.791 nan 8.290 nan 0.000 0.528 83 I N -0.450 120.034 120.570 -0.143 0.000 2.730 83 I HA 0.684 4.855 4.170 0.001 0.000 0.298 83 I C 0.007 175.995 176.117 -0.216 0.000 1.089 83 I CA -0.742 60.497 61.300 -0.101 0.000 1.041 83 I CB 2.622 40.623 38.000 0.001 0.000 1.235 83 I HN 0.109 nan 8.210 nan 0.000 0.423 84 T N 2.795 117.272 114.554 -0.128 0.000 2.883 84 T HA 0.735 5.086 4.350 0.001 0.000 0.296 84 T C -1.502 173.230 174.700 0.053 0.000 1.117 84 T CA -0.462 61.541 62.100 -0.162 0.000 1.006 84 T CB 1.316 70.029 68.868 -0.259 0.000 1.191 84 T HN 0.837 nan 8.240 nan 0.000 0.508 85 H N -0.816 118.340 119.070 0.143 0.000 2.990 85 H HA 0.794 5.350 4.556 0.001 0.000 0.336 85 H C 0.945 176.328 175.328 0.092 0.000 1.306 85 H CA -0.394 55.714 56.048 0.099 0.000 1.118 85 H CB 0.707 30.527 29.762 0.096 0.000 1.856 85 H HN 0.593 nan 8.280 nan 0.000 0.538 86 A N 0.240 123.184 122.820 0.206 0.000 1.865 86 A HA -0.028 4.293 4.320 0.001 0.000 0.217 86 A C -0.551 177.115 177.584 0.138 0.000 1.191 86 A CA 2.035 54.148 52.037 0.128 0.000 0.623 86 A CB -1.918 17.139 19.000 0.094 0.000 0.826 86 A HN 0.696 nan 8.150 nan 0.000 0.444 87 P HA -0.146 nan 4.420 nan 0.000 0.216 87 P C 1.697 179.079 177.300 0.136 0.000 1.153 87 P CA 2.082 65.281 63.100 0.166 0.000 0.858 87 P CB -0.141 31.667 31.700 0.179 0.000 0.789 88 A N -1.032 121.871 122.820 0.138 0.000 1.930 88 A HA -0.132 4.188 4.320 0.001 0.000 0.217 88 A C 2.228 179.831 177.584 0.032 0.000 1.175 88 A CA 1.230 53.271 52.037 0.007 0.000 0.627 88 A CB -1.513 17.378 19.000 -0.182 0.000 0.815 88 A HN 0.104 nan 8.150 nan 0.000 0.443 89 I N -0.767 119.822 120.570 0.032 0.000 2.202 89 I HA -0.193 3.978 4.170 0.001 0.000 0.242 89 I C 2.626 178.768 176.117 0.042 0.000 1.091 89 I CA 1.148 62.469 61.300 0.036 0.000 1.368 89 I CB -0.286 37.729 38.000 0.026 0.000 1.058 89 I HN 0.316 nan 8.210 nan 0.000 0.410 90 E N 0.712 120.940 120.200 0.047 0.000 2.038 90 E HA -0.267 4.083 4.350 0.001 0.000 0.195 90 E C 2.163 178.790 176.600 0.046 0.000 1.000 90 E CA 1.498 57.925 56.400 0.045 0.000 0.803 90 E CB -0.423 29.305 29.700 0.046 0.000 0.750 90 E HN 0.277 nan 8.360 nan 0.000 0.448 91 L N 0.702 121.952 121.223 0.045 0.000 2.012 91 L HA -0.192 4.149 4.340 0.001 0.000 0.210 91 L C 2.465 179.370 176.870 0.057 0.000 1.073 91 L CA 1.776 56.643 54.840 0.045 0.000 0.748 91 L CB -0.705 41.375 42.059 0.034 0.000 0.891 91 L HN 0.145 nan 8.230 nan 0.000 0.431 92 C N -0.684 118.649 119.300 0.054 0.000 2.446 92 C HA -0.043 4.418 4.460 0.001 0.000 0.279 92 C C 2.746 177.769 174.990 0.055 0.000 1.366 92 C CA 0.404 59.457 59.018 0.058 0.000 1.763 92 C CB -1.117 26.659 27.740 0.060 0.000 1.929 92 C HN 0.496 nan 8.230 nan 0.000 0.509 93 R N 1.145 121.676 120.500 0.051 0.000 2.073 93 R HA -0.110 4.230 4.340 0.001 0.000 0.234 93 R C 2.266 178.602 176.300 0.062 0.000 1.134 93 R CA 1.300 57.429 56.100 0.049 0.000 0.952 93 R CB -0.200 30.127 30.300 0.044 0.000 0.850 93 R HN 0.574 nan 8.270 nan 0.000 0.433 94 K N 0.540 120.983 120.400 0.071 0.000 2.026 94 K HA -0.103 4.218 4.320 0.001 0.000 0.208 94 K C 2.158 178.832 176.600 0.124 0.000 1.048 94 K CA 1.179 57.523 56.287 0.095 0.000 0.929 94 K CB -0.148 32.407 32.500 0.092 0.000 0.713 94 K HN 0.119 nan 8.250 nan 0.000 0.439 95 L N 0.595 121.889 121.223 0.118 0.000 2.046 95 L HA -0.194 4.146 4.340 0.001 0.000 0.208 95 L C 2.363 179.268 176.870 0.058 0.000 1.077 95 L CA 0.895 55.808 54.840 0.122 0.000 0.747 95 L CB -0.502 41.625 42.059 0.114 0.000 0.896 95 L HN 0.001 nan 8.230 nan 0.000 0.432 96 V N 0.127 120.068 119.914 0.046 0.000 2.295 96 V HA -0.287 3.833 4.120 0.001 0.000 0.246 96 V C 2.707 178.819 176.094 0.030 0.000 1.049 96 V CA 1.921 64.235 62.300 0.023 0.000 1.024 96 V CB -0.862 30.976 31.823 0.026 0.000 0.648 96 V HN 0.489 nan 8.190 nan 0.000 0.447 97 A N 0.465 123.318 122.820 0.055 0.000 2.015 97 A HA -0.140 4.180 4.320 0.001 0.000 0.219 97 A C 2.162 179.804 177.584 0.096 0.000 1.163 97 A CA 1.889 53.967 52.037 0.067 0.000 0.646 97 A CB -0.431 18.613 19.000 0.073 0.000 0.806 97 A HN 0.689 nan 8.150 nan 0.000 0.448 98 M N -0.844 118.836 119.600 0.134 0.000 2.428 98 M HA 0.148 4.628 4.480 0.001 0.000 0.239 98 M C 0.402 176.820 176.300 0.197 0.000 1.121 98 M CA 0.765 56.198 55.300 0.222 0.000 1.019 98 M CB -0.333 32.474 32.600 0.346 0.000 1.485 98 M HN 0.250 nan 8.290 nan 0.000 0.484 99 T N -1.008 113.550 114.554 0.005 0.000 2.950 99 T HA 0.687 5.038 4.350 0.001 0.000 0.288 99 T C -2.851 171.806 174.700 -0.071 0.000 1.035 99 T CA -1.857 60.138 62.100 -0.174 0.000 1.028 99 T CB 1.114 69.792 68.868 -0.317 0.000 1.109 99 T HN -0.042 nan 8.240 nan 0.000 0.514 100 P HA 0.004 nan 4.420 nan 0.000 0.266 100 P C 1.045 178.325 177.300 -0.033 0.000 1.186 100 P CA -0.132 62.947 63.100 -0.035 0.000 0.767 100 P CB 0.449 32.124 31.700 -0.042 0.000 0.820 101 Q N 3.791 123.584 119.800 -0.012 0.000 2.096 101 Q HA -0.191 4.150 4.340 0.001 0.000 0.208 101 Q C -0.866 175.124 176.000 -0.016 0.000 0.993 101 Q CA 2.618 58.416 55.803 -0.008 0.000 0.862 101 Q CB -1.941 26.797 28.738 0.001 0.000 0.915 101 Q HN 0.375 nan 8.270 nan 0.000 0.416 102 P HA -0.122 nan 4.420 nan 0.000 0.216 102 P C 0.049 177.328 177.300 -0.036 0.000 1.150 102 P CA 0.995 64.079 63.100 -0.027 0.000 0.843 102 P CB -0.186 31.496 31.700 -0.030 0.000 0.787 103 L N 0.938 122.132 121.223 -0.049 0.000 2.448 103 L HA 0.062 4.402 4.340 0.001 0.000 0.278 103 L C 1.113 177.959 176.870 -0.040 0.000 1.201 103 L CA 0.276 55.081 54.840 -0.058 0.000 1.036 103 L CB -0.594 41.409 42.059 -0.093 0.000 1.325 103 L HN 0.175 nan 8.230 nan 0.000 0.441 104 E N -0.055 120.130 120.200 -0.025 0.000 2.660 104 E HA 0.173 4.523 4.350 0.001 0.000 0.216 104 E C -0.302 176.299 176.600 0.001 0.000 0.986 104 E CA -0.388 56.007 56.400 -0.009 0.000 1.037 104 E CB 0.456 30.153 29.700 -0.005 0.000 1.041 104 E HN 0.363 nan 8.360 nan 0.000 0.480 105 C N 1.815 121.114 119.300 -0.002 0.000 2.271 105 C HA 0.530 4.990 4.460 0.001 0.000 0.323 105 C C -0.010 175.003 174.990 0.039 0.000 1.245 105 C CA -0.714 58.314 59.018 0.017 0.000 1.548 105 C CB 0.651 28.392 27.740 0.002 0.000 2.214 105 C HN 0.234 nan 8.230 nan 0.000 0.477 106 V N 4.076 124.032 119.914 0.070 0.000 2.398 106 V HA 0.414 4.534 4.120 0.001 0.000 0.286 106 V C -0.483 175.717 176.094 0.177 0.000 1.026 106 V CA -0.384 61.978 62.300 0.102 0.000 0.868 106 V CB 1.319 33.190 31.823 0.081 0.000 0.982 106 V HN 0.708 nan 8.190 nan 0.000 0.443 107 F N 6.032 126.011 119.950 0.049 0.000 2.359 107 F HA 0.576 5.103 4.527 0.000 0.000 0.369 107 F C -0.135 175.717 175.800 0.086 0.000 1.084 107 F CA -0.774 57.284 58.000 0.095 0.000 1.096 107 F CB 0.661 39.721 39.000 0.101 0.000 1.335 107 F HN 0.338 nan 8.300 nan 0.000 0.457 108 L N 5.609 126.838 121.223 0.009 0.000 2.456 108 L HA 0.506 4.846 4.340 0.001 0.000 0.272 108 L C 0.408 177.307 176.870 0.048 0.000 1.189 108 L CA 0.079 54.914 54.840 -0.007 0.000 0.846 108 L CB 0.442 42.402 42.059 -0.165 0.000 1.111 108 L HN 0.775 nan 8.230 nan 0.000 0.475 109 A N 1.876 124.784 122.820 0.146 0.000 2.525 109 A HA 0.562 4.882 4.320 0.001 0.000 0.291 109 A C -0.491 177.167 177.584 0.125 0.000 1.268 109 A CA -0.362 51.800 52.037 0.208 0.000 0.712 109 A CB 1.026 20.219 19.000 0.320 0.000 1.320 109 A HN 0.722 nan 8.150 nan 0.000 0.456 110 D N -0.485 119.995 120.400 0.132 0.000 2.380 110 D HA 0.259 4.900 4.640 0.001 0.000 0.212 110 D C 0.717 177.054 176.300 0.060 0.000 1.021 110 D CA 1.025 55.074 54.000 0.082 0.000 0.884 110 D CB 0.235 41.087 40.800 0.087 0.000 1.001 110 D HN 0.686 nan 8.370 nan 0.000 0.506 111 S N -1.528 114.216 115.700 0.073 0.000 2.607 111 S HA 0.568 5.039 4.470 0.001 0.000 0.273 111 S C 1.257 175.889 174.600 0.054 0.000 1.148 111 S CA -0.484 57.746 58.200 0.051 0.000 0.833 111 S CB 1.422 64.643 63.200 0.035 0.000 1.130 111 S HN 0.026 nan 8.310 nan 0.000 0.470 112 G N 1.689 110.514 108.800 0.041 0.000 2.553 112 G HA2 -0.197 3.763 3.960 0.001 0.000 0.218 112 G HA3 -0.197 3.763 3.960 0.001 0.000 0.218 112 G C 1.380 176.294 174.900 0.022 0.000 1.195 112 G CA 1.403 46.526 45.100 0.040 0.000 0.779 112 G HN 0.852 nan 8.290 nan 0.000 0.577 113 S N -0.093 115.611 115.700 0.006 0.000 2.383 113 S HA -0.117 4.354 4.470 0.001 0.000 0.229 113 S C 2.498 177.105 174.600 0.012 0.000 1.030 113 S CA 1.241 59.435 58.200 -0.010 0.000 1.002 113 S CB -0.265 62.928 63.200 -0.012 0.000 0.829 113 S HN 0.208 nan 8.310 nan 0.000 0.467 114 V N 2.039 121.979 119.914 0.044 0.000 2.358 114 V HA -0.177 3.943 4.120 0.001 0.000 0.246 114 V C 2.660 178.762 176.094 0.013 0.000 1.047 114 V CA 1.516 63.855 62.300 0.064 0.000 1.035 114 V CB -1.317 30.588 31.823 0.138 0.000 0.658 114 V HN 0.534 nan 8.190 nan 0.000 0.452 115 A N 0.084 122.924 122.820 0.033 0.000 1.917 115 A HA -0.200 4.121 4.320 0.001 0.000 0.219 115 A C 2.410 179.974 177.584 -0.032 0.000 1.182 115 A CA 2.383 54.431 52.037 0.018 0.000 0.633 115 A CB -0.761 18.270 19.000 0.052 0.000 0.819 115 A HN 0.354 nan 8.150 nan 0.000 0.448 116 V N 0.273 120.167 119.914 -0.034 0.000 2.307 116 V HA -0.225 3.896 4.120 0.001 0.000 0.245 116 V C 2.506 178.537 176.094 -0.105 0.000 1.045 116 V CA 2.077 64.333 62.300 -0.073 0.000 1.024 116 V CB -0.800 30.979 31.823 -0.073 0.000 0.651 116 V HN 0.568 nan 8.190 nan 0.000 0.449 117 E N 0.044 120.196 120.200 -0.079 0.000 2.118 117 E HA -0.181 4.169 4.350 0.001 0.000 0.195 117 E C 2.325 178.871 176.600 -0.091 0.000 0.992 117 E CA 1.417 57.779 56.400 -0.064 0.000 0.804 117 E CB -0.382 29.321 29.700 0.005 0.000 0.741 117 E HN 0.486 nan 8.360 nan 0.000 0.458 118 V N 1.607 121.412 119.914 -0.181 0.000 2.358 118 V HA -0.249 3.871 4.120 0.001 0.000 0.246 118 V C 2.466 178.491 176.094 -0.115 0.000 1.047 118 V CA 1.753 63.906 62.300 -0.246 0.000 1.035 118 V CB -0.778 30.789 31.823 -0.428 0.000 0.658 118 V HN 0.259 nan 8.190 nan 0.000 0.452 119 A N -0.368 122.383 122.820 -0.115 0.000 1.883 119 A HA -0.271 4.049 4.320 0.001 0.000 0.217 119 A C 2.245 179.822 177.584 -0.010 0.000 1.186 119 A CA 2.387 54.373 52.037 -0.085 0.000 0.624 119 A CB -0.509 18.446 19.000 -0.076 0.000 0.822 119 A HN 0.495 nan 8.150 nan 0.000 0.444 120 M N -0.900 118.678 119.600 -0.036 0.000 2.065 120 M HA -0.223 4.257 4.480 0.001 0.000 0.259 120 M C 2.243 178.674 176.300 0.217 0.000 1.069 120 M CA 2.135 57.455 55.300 0.034 0.000 1.110 120 M CB -0.495 31.950 32.600 -0.259 0.000 1.328 120 M HN 0.324 nan 8.290 nan 0.000 0.405 121 K N 0.134 120.629 120.400 0.158 0.000 2.063 121 K HA -0.129 4.192 4.320 0.001 0.000 0.208 121 K C 1.937 178.710 176.600 0.288 0.000 1.048 121 K CA 1.592 58.030 56.287 0.253 0.000 0.928 121 K CB -0.177 32.484 32.500 0.268 0.000 0.713 121 K HN 0.299 nan 8.250 nan 0.000 0.442 122 M N 0.088 119.766 119.600 0.130 0.000 2.080 122 M HA -0.229 4.251 4.480 0.001 0.000 0.260 122 M C 2.372 178.715 176.300 0.072 0.000 1.068 122 M CA 1.792 57.056 55.300 -0.059 0.000 1.109 122 M CB -0.408 32.030 32.600 -0.270 0.000 1.342 122 M HN 0.253 nan 8.290 nan 0.000 0.405 123 A N 0.651 123.549 122.820 0.129 0.000 1.859 123 A HA -0.198 4.122 4.320 0.001 0.000 0.217 123 A C 2.085 179.853 177.584 0.307 0.000 1.198 123 A CA 1.834 53.991 52.037 0.200 0.000 0.629 123 A CB -1.138 18.050 19.000 0.312 0.000 0.830 123 A HN 0.469 nan 8.150 nan 0.000 0.446 124 L N -1.227 120.180 121.223 0.308 0.000 2.046 124 L HA -0.234 4.107 4.340 0.001 0.000 0.208 124 L C 2.912 179.934 176.870 0.254 0.000 1.077 124 L CA 1.685 56.695 54.840 0.284 0.000 0.747 124 L CB -0.567 41.641 42.059 0.249 0.000 0.896 124 L HN 0.482 nan 8.230 nan 0.000 0.432 125 Q N -1.096 118.839 119.800 0.225 0.000 2.124 125 Q HA -0.260 4.080 4.340 0.001 0.000 0.202 125 Q C 2.136 178.202 176.000 0.109 0.000 0.977 125 Q CA 1.771 57.679 55.803 0.175 0.000 0.850 125 Q CB -0.224 28.644 28.738 0.217 0.000 0.901 125 Q HN 0.460 nan 8.270 nan 0.000 0.429 126 Y N -0.388 119.879 120.300 -0.054 0.000 2.069 126 Y HA -0.327 4.224 4.550 0.000 0.000 0.278 126 Y C 1.523 177.246 175.900 -0.296 0.000 1.175 126 Y CA 2.154 60.106 58.100 -0.247 0.000 1.134 126 Y CB -0.508 37.718 38.460 -0.390 0.000 0.965 126 Y HN 0.169 nan 8.280 nan 0.000 0.498 127 W N 0.252 121.603 121.300 0.084 0.000 2.381 127 W HA -0.183 4.478 4.660 0.000 0.000 0.301 127 W C 2.716 179.198 176.519 -0.061 0.000 1.205 127 W CA 1.158 58.497 57.345 -0.010 0.000 1.285 127 W CB -0.659 28.840 29.460 0.065 0.000 1.133 127 W HN 0.092 nan 8.180 nan 0.000 0.521 128 Q N 1.063 120.967 119.800 0.174 0.000 2.096 128 Q HA -0.219 4.122 4.340 0.001 0.000 0.204 128 Q C 2.224 178.235 176.000 0.019 0.000 0.982 128 Q CA 2.186 58.044 55.803 0.092 0.000 0.850 128 Q CB -0.677 28.117 28.738 0.093 0.000 0.901 128 Q HN 0.294 nan 8.270 nan 0.000 0.422 129 A N 0.773 123.566 122.820 -0.046 0.000 1.972 129 A HA -0.155 4.165 4.320 0.001 0.000 0.219 129 A C 1.830 179.339 177.584 -0.124 0.000 1.169 129 A CA 1.569 53.549 52.037 -0.096 0.000 0.635 129 A CB -0.224 18.684 19.000 -0.153 0.000 0.810 129 A HN 0.385 nan 8.150 nan 0.000 0.446 130 K N -1.513 118.792 120.400 -0.159 0.000 2.404 130 K HA 0.293 4.613 4.320 0.001 0.000 0.194 130 K C 1.088 177.688 176.600 0.001 0.000 1.023 130 K CA 0.440 56.657 56.287 -0.117 0.000 1.094 130 K CB 0.122 32.504 32.500 -0.197 0.000 0.841 130 K HN 0.593 nan 8.250 nan 0.000 0.523 131 G N 1.613 110.427 108.800 0.024 0.000 2.205 131 G HA2 -0.305 3.656 3.960 0.001 0.000 0.261 131 G HA3 -0.305 3.656 3.960 0.001 0.000 0.261 131 G C -0.168 174.777 174.900 0.075 0.000 0.980 131 G CA 0.017 45.142 45.100 0.042 0.000 0.632 131 G HN 0.399 nan 8.290 nan 0.000 0.533 132 E N 0.444 120.732 120.200 0.147 0.000 2.343 132 E HA 0.566 4.917 4.350 0.001 0.000 0.269 132 E C 0.471 177.127 176.600 0.093 0.000 1.047 132 E CA 0.161 56.643 56.400 0.137 0.000 0.874 132 E CB 1.063 30.896 29.700 0.221 0.000 1.033 132 E HN 0.601 nan 8.360 nan 0.000 0.409 133 A N 4.548 127.365 122.820 -0.005 0.000 2.736 133 A HA 0.285 4.606 4.320 0.001 0.000 0.335 133 A C -0.386 177.120 177.584 -0.130 0.000 1.446 133 A CA -0.394 51.620 52.037 -0.038 0.000 1.028 133 A CB 0.004 18.974 19.000 -0.049 0.000 1.154 133 A HN 0.509 nan 8.150 nan 0.000 0.507 134 R N 1.424 121.837 120.500 -0.146 0.000 2.360 134 R HA 0.430 4.771 4.340 0.001 0.000 0.318 134 R C -0.197 175.974 176.300 -0.215 0.000 0.950 134 R CA -0.223 55.686 56.100 -0.318 0.000 0.837 134 R CB 1.499 31.358 30.300 -0.734 0.000 1.165 134 R HN 0.778 nan 8.270 nan 0.000 0.458 135 Q N 1.231 120.902 119.800 -0.215 0.000 2.157 135 Q HA 0.183 4.523 4.340 0.001 0.000 0.235 135 Q C -0.081 175.797 176.000 -0.204 0.000 0.803 135 Q CA 0.046 55.756 55.803 -0.155 0.000 0.967 135 Q CB 1.240 29.944 28.738 -0.057 0.000 1.150 135 Q HN 0.335 nan 8.270 nan 0.000 0.482 136 R N -0.232 120.101 120.500 -0.278 0.000 2.674 136 R HA 0.504 4.845 4.340 0.001 0.000 0.266 136 R C -0.929 175.087 176.300 -0.473 0.000 1.016 136 R CA -0.400 55.575 56.100 -0.209 0.000 1.062 136 R CB 1.036 31.270 30.300 -0.110 0.000 1.142 136 R HN -0.142 nan 8.270 nan 0.000 0.517 137 F N 0.982 120.859 119.950 -0.122 0.000 2.495 137 F HA 0.326 4.853 4.527 0.001 0.000 0.327 137 F C -0.313 175.357 175.800 -0.217 0.000 1.103 137 F CA -1.083 56.835 58.000 -0.137 0.000 0.949 137 F CB 1.529 40.449 39.000 -0.133 0.000 1.142 137 F HN 0.145 nan 8.300 nan 0.000 0.457 138 L N 3.215 124.415 121.223 -0.039 0.000 2.265 138 L HA 0.604 4.944 4.340 0.001 0.000 0.289 138 L C -0.164 176.681 176.870 -0.043 0.000 1.033 138 L CA 0.329 55.072 54.840 -0.162 0.000 0.814 138 L CB 0.723 42.622 42.059 -0.266 0.000 1.203 138 L HN 0.700 nan 8.230 nan 0.000 0.423 139 T N 3.489 117.976 114.554 -0.111 0.000 2.718 139 T HA 0.651 5.001 4.350 0.001 0.000 0.267 139 T C -0.878 173.939 174.700 0.195 0.000 0.957 139 T CA -0.342 61.830 62.100 0.120 0.000 1.025 139 T CB 0.603 69.530 68.868 0.098 0.000 1.355 139 T HN 0.234 nan 8.240 nan 0.000 0.572 140 F N 1.178 121.208 119.950 0.134 0.000 2.556 140 F HA 0.622 5.149 4.527 0.001 0.000 0.327 140 F C 1.017 176.941 175.800 0.207 0.000 1.059 140 F CA -1.048 57.026 58.000 0.124 0.000 0.953 140 F CB 1.402 40.400 39.000 -0.003 0.000 1.227 140 F HN 0.389 nan 8.300 nan 0.000 0.478 141 R N 1.499 122.187 120.500 0.312 0.000 2.694 141 R HA 0.111 4.452 4.340 0.001 0.000 0.268 141 R C 0.200 176.608 176.300 0.180 0.000 1.061 141 R CA 0.049 56.270 56.100 0.201 0.000 1.133 141 R CB 0.089 30.440 30.300 0.085 0.000 1.020 141 R HN 0.770 nan 8.270 nan 0.000 0.475 142 N N -1.271 117.499 118.700 0.116 0.000 2.850 142 N HA -0.134 4.607 4.740 0.001 0.000 0.249 142 N C 0.036 175.612 175.510 0.110 0.000 1.060 142 N CA 1.287 54.392 53.050 0.091 0.000 0.825 142 N CB -0.968 37.557 38.487 0.063 0.000 1.132 142 N HN 0.849 nan 8.380 nan 0.000 0.564 143 G N -0.133 108.766 108.800 0.165 0.000 2.395 143 G HA2 0.436 4.396 3.960 0.001 0.000 0.283 143 G HA3 0.436 4.396 3.960 0.001 0.000 0.283 143 G C -1.093 173.866 174.900 0.098 0.000 1.178 143 G CA -0.183 44.987 45.100 0.116 0.000 0.837 143 G HN 0.239 nan 8.290 nan 0.000 0.518 144 Y N 0.857 121.025 120.300 -0.221 0.000 2.338 144 Y HA 0.498 5.048 4.550 0.000 0.000 0.333 144 Y C 0.092 175.734 175.900 -0.430 0.000 0.968 144 Y CA -0.937 57.047 58.100 -0.192 0.000 1.123 144 Y CB 1.784 40.179 38.460 -0.108 0.000 1.165 144 Y HN 0.686 nan 8.280 nan 0.000 0.452 145 H N 3.436 122.090 119.070 -0.693 0.000 2.916 145 H HA 0.531 5.087 4.556 0.000 0.000 0.262 145 H C 0.494 175.445 175.328 -0.628 0.000 1.178 145 H CA 0.139 55.892 56.048 -0.493 0.000 1.090 145 H CB 0.923 30.539 29.762 -0.243 0.000 1.657 145 H HN 0.963 nan 8.280 nan 0.000 0.601 146 G N 0.252 108.354 108.800 -1.162 0.000 2.462 146 G HA2 -0.185 3.776 3.960 0.001 0.000 0.685 146 G HA3 -0.185 3.776 3.960 0.001 0.000 0.685 146 G C -0.646 174.089 174.900 -0.275 0.000 1.295 146 G CA -0.174 44.609 45.100 -0.528 0.000 0.941 146 G HN 0.194 nan 8.290 nan 0.000 0.554 147 D N -0.132 120.234 120.400 -0.056 0.000 2.417 147 D HA 0.156 4.796 4.640 0.001 0.000 0.207 147 D C 1.841 178.111 176.300 -0.050 0.000 1.075 147 D CA 1.163 55.157 54.000 -0.010 0.000 0.851 147 D CB 0.256 41.097 40.800 0.069 0.000 0.976 147 D HN 0.866 nan 8.370 nan 0.000 0.505 148 T N -1.887 112.653 114.554 -0.024 0.000 2.802 148 T HA 0.058 4.408 4.350 0.001 0.000 0.305 148 T C 1.367 176.061 174.700 -0.010 0.000 1.053 148 T CA -0.508 61.612 62.100 0.033 0.000 1.058 148 T CB 0.692 69.606 68.868 0.077 0.000 0.988 148 T HN -0.203 nan 8.240 nan 0.000 0.539 149 F N 1.716 121.670 119.950 0.007 0.000 2.063 149 F HA -0.040 4.488 4.527 0.000 0.000 0.298 149 F C 2.780 178.575 175.800 -0.008 0.000 1.109 149 F CA 2.529 60.534 58.000 0.009 0.000 1.212 149 F CB -1.052 37.958 39.000 0.016 0.000 0.973 149 F HN 0.840 nan 8.300 nan 0.000 0.480 150 G N -1.023 107.875 108.800 0.162 0.000 2.433 150 G HA2 -0.237 3.724 3.960 0.001 0.000 0.216 150 G HA3 -0.237 3.724 3.960 0.001 0.000 0.216 150 G C 1.850 176.711 174.900 -0.065 0.000 1.186 150 G CA 0.975 46.096 45.100 0.036 0.000 0.779 150 G HN 0.533 nan 8.290 nan 0.000 0.543 151 A N 0.511 123.286 122.820 -0.074 0.000 1.917 151 A HA -0.077 4.243 4.320 0.001 0.000 0.219 151 A C 2.478 180.001 177.584 -0.102 0.000 1.182 151 A CA 2.076 54.045 52.037 -0.113 0.000 0.633 151 A CB -0.428 18.500 19.000 -0.121 0.000 0.819 151 A HN 0.394 nan 8.150 nan 0.000 0.448 152 M N 0.451 119.985 119.600 -0.111 0.000 2.149 152 M HA -0.172 4.309 4.480 0.001 0.000 0.261 152 M C 2.359 178.647 176.300 -0.020 0.000 1.064 152 M CA 1.792 57.029 55.300 -0.105 0.000 1.102 152 M CB -0.345 32.114 32.600 -0.234 0.000 1.369 152 M HN 0.664 nan 8.290 nan 0.000 0.408 153 S N -0.302 115.397 115.700 -0.001 0.000 2.469 153 S HA -0.061 4.410 4.470 0.001 0.000 0.238 153 S C 1.347 176.002 174.600 0.091 0.000 0.998 153 S CA 1.068 59.308 58.200 0.067 0.000 0.957 153 S CB -0.820 62.418 63.200 0.064 0.000 0.764 153 S HN 0.479 nan 8.310 nan 0.000 0.514 154 V N -2.732 117.204 119.914 0.038 0.000 3.477 154 V HA 0.456 4.576 4.120 0.001 0.000 0.297 154 V C 0.829 177.095 176.094 0.286 0.000 1.433 154 V CA -1.057 61.279 62.300 0.060 0.000 1.052 154 V CB -1.365 30.356 31.823 -0.170 0.000 0.895 154 V HN 0.479 nan 8.190 nan 0.000 0.438 155 C N 1.581 121.023 119.300 0.235 0.000 2.580 155 C HA 0.342 4.802 4.460 0.001 0.000 0.371 155 C C 0.691 175.837 174.990 0.259 0.000 1.308 155 C CA -0.084 59.065 59.018 0.218 0.000 2.428 155 C CB 0.463 28.259 27.740 0.093 0.000 2.529 155 C HN 0.603 nan 8.230 nan 0.000 0.657 156 D N 1.804 122.296 120.400 0.154 0.000 2.458 156 D HA 0.047 4.687 4.640 0.001 0.000 0.243 156 D C -1.329 174.870 176.300 -0.168 0.000 1.146 156 D CA -0.966 53.002 54.000 -0.054 0.000 0.877 156 D CB 1.021 41.813 40.800 -0.014 0.000 1.176 156 D HN 0.265 nan 8.370 nan 0.000 0.461 157 P HA -0.098 nan 4.420 nan 0.000 0.221 157 P C 0.472 177.681 177.300 -0.152 0.000 1.145 157 P CA 0.923 63.851 63.100 -0.286 0.000 0.795 157 P CB 0.464 31.914 31.700 -0.417 0.000 0.775 158 D N -1.322 118.997 120.400 -0.134 0.000 2.255 158 D HA -0.017 4.623 4.640 0.001 0.000 0.224 158 D C 0.869 177.151 176.300 -0.030 0.000 0.997 158 D CA 0.493 54.451 54.000 -0.070 0.000 0.906 158 D CB -1.054 39.707 40.800 -0.065 0.000 1.047 158 D HN 0.043 nan 8.370 nan 0.000 0.458 170 P HA 0.104 nan 4.420 nan 0.000 0.264 170 P C -0.681 176.695 177.300 0.126 0.000 1.183 170 P CA 0.023 63.194 63.100 0.120 0.000 0.763 170 P CB 0.532 32.303 31.700 0.120 0.000 0.807 171 E N 2.543 122.811 120.200 0.112 0.000 2.129 171 E HA 0.120 4.470 4.350 0.001 0.000 0.283 171 E C 0.285 176.938 176.600 0.089 0.000 1.080 171 E CA -0.322 56.157 56.400 0.130 0.000 0.867 171 E CB 0.393 30.162 29.700 0.115 0.000 1.056 171 E HN 0.389 nan 8.360 nan 0.000 0.404 172 N N 2.246 120.977 118.700 0.052 0.000 2.531 172 N HA 0.436 5.176 4.740 0.001 0.000 0.301 172 N C -0.400 174.952 175.510 -0.264 0.000 1.310 172 N CA -0.363 52.610 53.050 -0.129 0.000 0.949 172 N CB 0.611 38.982 38.487 -0.192 0.000 1.111 172 N HN 0.246 nan 8.380 nan 0.000 0.565 173 L N 0.735 121.689 121.223 -0.448 0.000 2.341 173 L HA 0.469 4.809 4.340 0.001 0.000 0.278 173 L C -1.110 175.437 176.870 -0.539 0.000 1.005 173 L CA -0.540 54.072 54.840 -0.381 0.000 0.818 173 L CB 0.966 42.797 42.059 -0.379 0.000 1.259 173 L HN 0.324 nan 8.230 nan 0.000 0.418 174 F N 2.067 121.956 119.950 -0.101 0.000 2.430 174 F HA 0.545 5.072 4.527 0.000 0.000 0.362 174 F C 0.644 176.368 175.800 -0.127 0.000 1.103 174 F CA -0.620 57.336 58.000 -0.075 0.000 1.045 174 F CB 1.378 40.365 39.000 -0.022 0.000 1.276 174 F HN 0.458 nan 8.300 nan 0.000 0.444 175 A N 4.315 127.079 122.820 -0.093 0.000 2.407 175 A HA 0.573 4.893 4.320 0.001 0.000 0.248 175 A C -2.414 175.092 177.584 -0.130 0.000 1.082 175 A CA -1.458 50.479 52.037 -0.168 0.000 0.785 175 A CB -0.121 18.715 19.000 -0.274 0.000 1.020 175 A HN 0.401 nan 8.150 nan 0.000 0.489 176 P HA 0.175 nan 4.420 nan 0.000 0.265 176 P C -0.007 177.248 177.300 -0.075 0.000 1.187 176 P CA 0.567 63.651 63.100 -0.028 0.000 0.766 176 P CB 0.392 32.102 31.700 0.017 0.000 0.820 177 A N 5.571 128.405 122.820 0.022 0.000 2.555 177 A HA 0.241 4.561 4.320 0.001 0.000 0.233 177 A C -1.932 175.641 177.584 -0.019 0.000 1.060 177 A CA -0.754 51.332 52.037 0.082 0.000 0.759 177 A CB -1.336 17.704 19.000 0.067 0.000 0.995 177 A HN 0.414 nan 8.150 nan 0.000 0.506 178 P HA 0.153 nan 4.420 nan 0.000 0.267 178 P C -0.302 177.003 177.300 0.009 0.000 1.209 178 P CA 0.217 63.047 63.100 -0.449 0.000 0.763 178 P CB 0.807 31.642 31.700 -1.442 0.000 0.816 179 Q N 1.135 121.075 119.800 0.233 0.000 2.178 179 Q HA 0.035 4.376 4.340 0.001 0.000 0.195 179 Q C 0.777 176.941 176.000 0.273 0.000 0.960 179 Q CA 0.465 56.385 55.803 0.196 0.000 0.843 179 Q CB -0.449 28.370 28.738 0.135 0.000 0.927 179 Q HN 0.383 nan 8.270 nan 0.000 0.487 180 S N 1.831 117.758 115.700 0.378 0.000 3.448 180 S HA -0.100 4.371 4.470 0.001 0.000 0.408 180 S C -0.152 174.714 174.600 0.443 0.000 1.128 180 S CA 0.087 58.513 58.200 0.376 0.000 1.339 180 S CB -0.216 63.271 63.200 0.478 0.000 0.915 180 S HN 0.141 nan 8.310 nan 0.000 0.546 181 R N 2.534 123.213 120.500 0.298 0.000 2.640 181 R HA 0.040 4.380 4.340 0.001 0.000 0.270 181 R C 0.912 177.375 176.300 0.271 0.000 1.024 181 R CA -0.045 56.203 56.100 0.247 0.000 1.085 181 R CB 0.271 30.666 30.300 0.157 0.000 0.963 181 R HN 0.635 nan 8.270 nan 0.000 0.426 186 W N 4.131 125.248 121.300 -0.305 0.000 2.496 186 W HA 0.570 5.231 4.660 0.001 0.000 0.327 186 W C -1.411 174.954 176.519 -0.257 0.000 1.086 186 W CA -0.269 56.752 57.345 -0.540 0.000 1.222 186 W CB 1.401 30.355 29.460 -0.843 0.000 1.304 186 W HN 0.551 nan 8.180 nan 0.000 0.547 187 D N 3.834 123.368 120.400 -1.444 0.000 2.936 187 D HA 0.035 4.675 4.640 0.001 0.000 0.238 187 D C 0.609 175.959 176.300 -1.584 0.000 1.248 187 D CA -0.169 53.139 54.000 -1.153 0.000 0.903 187 D CB 1.906 42.373 40.800 -0.556 0.000 1.544 187 D HN 0.451 nan 8.370 nan 0.000 0.543 188 E N 1.937 121.574 120.200 -0.938 0.000 2.401 188 E HA -0.167 4.183 4.350 0.001 0.000 0.199 188 E C 1.585 177.981 176.600 -0.339 0.000 1.023 188 E CA 0.498 56.616 56.400 -0.470 0.000 0.859 188 E CB 0.346 29.952 29.700 -0.156 0.000 0.780 188 E HN 0.480 nan 8.360 nan 0.000 0.523 189 R N 0.983 121.279 120.500 -0.339 0.000 2.073 189 R HA -0.123 4.217 4.340 0.001 0.000 0.229 189 R C 1.721 177.933 176.300 -0.147 0.000 1.120 189 R CA 1.256 57.246 56.100 -0.184 0.000 0.967 189 R CB 0.002 30.214 30.300 -0.147 0.000 0.862 189 R HN -0.086 nan 8.270 nan 0.000 0.436 190 D N 0.653 120.910 120.400 -0.237 0.000 2.248 190 D HA -0.269 4.371 4.640 0.001 0.000 0.189 190 D C 1.660 178.033 176.300 0.123 0.000 1.011 190 D CA 1.893 55.886 54.000 -0.012 0.000 0.868 190 D CB -0.162 40.531 40.800 -0.178 0.000 0.931 190 D HN 0.182 nan 8.370 nan 0.000 0.449 191 M N -0.061 119.465 119.600 -0.123 0.000 2.267 191 M HA -0.110 4.370 4.480 0.001 0.000 0.263 191 M C 2.085 178.457 176.300 0.119 0.000 1.063 191 M CA 0.627 55.931 55.300 0.006 0.000 1.090 191 M CB -0.383 32.171 32.600 -0.076 0.000 1.392 191 M HN 0.024 nan 8.290 nan 0.000 0.422 192 V N -0.476 119.477 119.914 0.066 0.000 2.295 192 V HA -0.185 3.936 4.120 0.001 0.000 0.246 192 V C 2.108 178.260 176.094 0.097 0.000 1.049 192 V CA 2.414 64.755 62.300 0.068 0.000 1.024 192 V CB -1.247 30.593 31.823 0.028 0.000 0.648 192 V HN 0.529 nan 8.190 nan 0.000 0.447 193 G N -0.915 107.948 108.800 0.105 0.000 2.514 193 G HA2 -0.384 3.577 3.960 0.001 0.000 0.217 193 G HA3 -0.384 3.577 3.960 0.001 0.000 0.217 193 G C 1.577 176.533 174.900 0.094 0.000 1.198 193 G CA 1.341 46.491 45.100 0.083 0.000 0.780 193 G HN 0.587 nan 8.290 nan 0.000 0.565 194 F N 2.462 122.423 119.950 0.019 0.000 2.095 194 F HA -0.019 4.508 4.527 0.001 0.000 0.298 194 F C 2.866 178.673 175.800 0.011 0.000 1.104 194 F CA 1.687 59.680 58.000 -0.010 0.000 1.232 194 F CB -0.400 38.655 39.000 0.092 0.000 0.987 194 F HN 0.241 nan 8.300 nan 0.000 0.475 195 A N 0.535 123.562 122.820 0.344 0.000 1.902 195 A HA -0.231 4.089 4.320 0.001 0.000 0.217 195 A C 2.389 180.012 177.584 0.065 0.000 1.181 195 A CA 1.826 53.990 52.037 0.211 0.000 0.623 195 A CB -0.933 18.168 19.000 0.169 0.000 0.818 195 A HN 0.508 nan 8.150 nan 0.000 0.443 196 R N -0.400 120.126 120.500 0.043 0.000 2.073 196 R HA -0.070 4.271 4.340 0.001 0.000 0.234 196 R C 2.007 178.293 176.300 -0.022 0.000 1.134 196 R CA 1.675 57.783 56.100 0.013 0.000 0.952 196 R CB -0.433 29.877 30.300 0.016 0.000 0.850 196 R HN 0.497 nan 8.270 nan 0.000 0.433 197 L N 0.402 121.566 121.223 -0.098 0.000 2.083 197 L HA -0.186 4.154 4.340 0.001 0.000 0.209 197 L C 2.657 179.415 176.870 -0.188 0.000 1.083 197 L CA 1.013 55.733 54.840 -0.199 0.000 0.752 197 L CB -0.256 41.601 42.059 -0.336 0.000 0.899 197 L HN 0.350 nan 8.230 nan 0.000 0.433 198 M N -0.149 119.324 119.600 -0.212 0.000 2.132 198 M HA -0.093 4.387 4.480 0.001 0.000 0.263 198 M C 2.253 178.529 176.300 -0.039 0.000 1.065 198 M CA 1.994 57.201 55.300 -0.156 0.000 1.122 198 M CB -0.496 32.024 32.600 -0.134 0.000 1.365 198 M HN 0.140 nan 8.290 nan 0.000 0.411 199 A N 0.086 122.896 122.820 -0.016 0.000 1.865 199 A HA -0.005 4.315 4.320 0.001 0.000 0.217 199 A C 2.417 179.996 177.584 -0.008 0.000 1.191 199 A CA 2.463 54.491 52.037 -0.014 0.000 0.623 199 A CB -1.615 17.385 19.000 -0.000 0.000 0.826 199 A HN 0.668 nan 8.150 nan 0.000 0.444 200 A N -1.616 121.250 122.820 0.077 0.000 1.972 200 A HA -0.096 4.225 4.320 0.001 0.000 0.219 200 A C 1.733 179.393 177.584 0.127 0.000 1.169 200 A CA 1.969 54.086 52.037 0.133 0.000 0.635 200 A CB -0.554 18.614 19.000 0.279 0.000 0.810 200 A HN 0.682 nan 8.150 nan 0.000 0.446 201 H N -1.498 117.574 119.070 0.005 0.000 3.058 201 H HA 0.139 4.695 4.556 0.001 0.000 0.266 201 H C 1.686 177.089 175.328 0.124 0.000 1.135 201 H CA 0.201 56.300 56.048 0.085 0.000 1.174 201 H CB 0.003 29.740 29.762 -0.042 0.000 1.581 201 H HN 0.670 nan 8.280 nan 0.000 0.553 202 R N 1.066 121.622 120.500 0.093 0.000 2.234 202 R HA -0.298 4.043 4.340 0.001 0.000 0.262 202 R C 1.008 177.327 176.300 0.032 0.000 1.150 202 R CA 2.433 58.531 56.100 -0.003 0.000 0.981 202 R CB -1.020 29.216 30.300 -0.107 0.000 0.899 202 R HN 0.479 nan 8.270 nan 0.000 0.458 203 H N -0.279 118.696 119.070 -0.158 0.000 2.548 203 H HA 0.241 4.798 4.556 0.001 0.000 0.265 203 H C 0.853 176.028 175.328 -0.256 0.000 0.969 203 H CA 0.661 56.580 56.048 -0.215 0.000 1.155 203 H CB -0.163 29.509 29.762 -0.150 0.000 1.394 203 H HN 0.556 nan 8.280 nan 0.000 0.570 204 E N 0.705 120.816 120.200 -0.147 0.000 2.276 204 E HA 0.179 4.530 4.350 0.001 0.000 0.193 204 E C 0.206 176.642 176.600 -0.274 0.000 0.983 204 E CA -0.086 56.154 56.400 -0.266 0.000 0.861 204 E CB 0.600 30.183 29.700 -0.195 0.000 0.817 204 E HN 0.382 nan 8.360 nan 0.000 0.485 205 I N 1.657 122.082 120.570 -0.242 0.000 2.436 205 I HA 0.020 4.191 4.170 0.001 0.000 0.289 205 I C 1.110 176.953 176.117 -0.457 0.000 1.083 205 I CA -0.292 60.829 61.300 -0.299 0.000 1.372 205 I CB 1.297 39.184 38.000 -0.190 0.000 1.408 205 I HN 0.034 nan 8.210 nan 0.000 0.516 206 A N 5.651 128.164 122.820 -0.511 0.000 1.903 206 A HA 0.548 4.869 4.320 0.001 0.000 0.213 206 A C 1.036 178.592 177.584 -0.046 0.000 1.185 206 A CA 1.094 52.880 52.037 -0.419 0.000 0.628 206 A CB 0.110 18.888 19.000 -0.369 0.000 0.830 206 A HN 0.770 nan 8.150 nan 0.000 0.446 207 A N -1.943 120.741 122.820 -0.226 0.000 2.609 207 A HA 0.599 4.920 4.320 0.001 0.000 0.291 207 A C -1.307 176.326 177.584 0.080 0.000 1.096 207 A CA -0.362 51.696 52.037 0.034 0.000 0.684 207 A CB 0.818 19.933 19.000 0.192 0.000 1.282 207 A HN 0.424 nan 8.150 nan 0.000 0.412 208 V N 1.406 121.411 119.914 0.152 0.000 2.435 208 V HA 0.590 4.711 4.120 0.001 0.000 0.290 208 V C -0.356 175.857 176.094 0.199 0.000 1.030 208 V CA -0.294 62.123 62.300 0.196 0.000 0.881 208 V CB 1.327 33.320 31.823 0.282 0.000 0.983 208 V HN 0.754 nan 8.190 nan 0.000 0.445 209 I N 7.086 127.761 120.570 0.175 0.000 2.498 209 I HA 0.716 4.887 4.170 0.001 0.000 0.290 209 I C -1.305 174.883 176.117 0.119 0.000 1.032 209 I CA -0.541 60.795 61.300 0.061 0.000 1.073 209 I CB 1.515 39.426 38.000 -0.147 0.000 1.251 209 I HN 0.673 nan 8.210 nan 0.000 0.426 210 I N 3.300 123.960 120.570 0.151 0.000 3.093 210 I HA 0.521 4.691 4.170 0.001 0.000 0.308 210 I C -1.518 174.705 176.117 0.177 0.000 1.303 210 I CA -0.786 60.616 61.300 0.171 0.000 0.975 210 I CB 1.916 39.888 38.000 -0.048 0.000 1.286 210 I HN 0.633 nan 8.210 nan 0.000 0.459 211 E N 3.980 124.233 120.200 0.087 0.000 2.200 211 E HA 0.458 4.808 4.350 0.001 0.000 0.283 211 E C -2.449 174.153 176.600 0.003 0.000 1.015 211 E CA -1.670 54.754 56.400 0.040 0.000 0.819 211 E CB 0.706 30.392 29.700 -0.024 0.000 1.081 211 E HN 0.385 nan 8.360 nan 0.000 0.397 212 P HA -0.020 nan 4.420 nan 0.000 0.271 212 P C 0.703 177.823 177.300 -0.300 0.000 1.226 212 P CA 0.017 63.073 63.100 -0.073 0.000 0.765 212 P CB 0.437 32.102 31.700 -0.057 0.000 0.835 213 I N 0.323 120.494 120.570 -0.665 0.000 4.445 213 I HA -0.288 3.883 4.170 0.001 0.000 0.066 213 I C 0.434 175.976 176.117 -0.959 0.000 0.599 213 I CA 1.655 62.279 61.300 -1.127 0.000 0.973 213 I CB -2.123 35.483 38.000 -0.656 0.000 0.875 213 I HN 0.159 nan 8.210 nan 0.000 0.171 214 V N 3.516 123.136 119.914 -0.491 0.000 2.347 214 V HA 0.311 4.432 4.120 0.001 0.000 0.280 214 V C 0.459 176.446 176.094 -0.179 0.000 1.021 214 V CA -0.387 61.727 62.300 -0.310 0.000 0.847 214 V CB 1.432 33.095 31.823 -0.267 0.000 0.990 214 V HN 0.258 nan 8.190 nan 0.000 0.444 215 Q N 3.367 123.111 119.800 -0.095 0.000 2.441 215 Q HA 0.332 4.672 4.340 0.001 0.000 0.234 215 Q C 1.186 177.144 176.000 -0.070 0.000 1.078 215 Q CA 0.007 55.787 55.803 -0.037 0.000 0.907 215 Q CB 1.546 30.297 28.738 0.021 0.000 1.269 215 Q HN 0.961 nan 8.270 nan 0.000 0.502 216 G N 1.813 110.563 108.800 -0.083 0.000 2.813 216 G HA2 -0.250 3.710 3.960 0.001 0.000 0.208 216 G HA3 -0.250 3.710 3.960 0.001 0.000 0.208 216 G C 1.171 176.046 174.900 -0.041 0.000 1.395 216 G CA 0.777 45.796 45.100 -0.136 0.000 0.849 216 G HN 0.647 nan 8.290 nan 0.000 0.617 217 A N 0.184 123.037 122.820 0.056 0.000 2.024 217 A HA 0.151 4.472 4.320 0.001 0.000 0.220 217 A C 2.454 180.091 177.584 0.088 0.000 1.164 217 A CA 2.018 54.038 52.037 -0.029 0.000 0.643 217 A CB -0.828 17.803 19.000 -0.615 0.000 0.806 217 A HN 0.821 nan 8.150 nan 0.000 0.451 218 G N -2.049 106.795 108.800 0.073 0.000 2.956 218 G HA2 0.365 4.325 3.960 0.001 0.000 0.207 218 G HA3 0.365 4.325 3.960 0.001 0.000 0.207 218 G C 0.866 175.787 174.900 0.036 0.000 1.162 218 G CA 0.697 45.844 45.100 0.079 0.000 0.796 218 G HN 1.546 nan 8.290 nan 0.000 0.527 219 G N -1.122 107.684 108.800 0.009 0.000 2.870 219 G HA2 -0.095 3.865 3.960 0.001 0.000 0.216 219 G HA3 -0.095 3.865 3.960 0.001 0.000 0.216 219 G C 0.557 175.409 174.900 -0.080 0.000 0.973 219 G CA -0.030 45.041 45.100 -0.048 0.000 0.807 219 G HN 0.313 nan 8.290 nan 0.000 0.573 220 M N -0.005 119.526 119.600 -0.114 0.000 2.249 220 M HA -0.142 4.338 4.480 0.001 0.000 0.198 220 M C 0.435 176.673 176.300 -0.104 0.000 0.394 220 M CA 0.594 55.789 55.300 -0.174 0.000 0.427 220 M CB -1.962 30.498 32.600 -0.233 0.000 1.307 220 M HN 0.592 nan 8.290 nan 0.000 0.924 221 R N -0.075 120.388 120.500 -0.062 0.000 2.254 221 R HA 0.619 4.959 4.340 0.001 0.000 0.318 221 R C 0.234 176.523 176.300 -0.018 0.000 1.031 221 R CA -0.239 55.856 56.100 -0.009 0.000 0.905 221 R CB 0.870 31.195 30.300 0.041 0.000 1.050 221 R HN 0.370 nan 8.270 nan 0.000 0.456 222 M N 4.957 124.549 119.600 -0.014 0.000 2.066 222 M HA 0.281 4.761 4.480 0.001 0.000 0.340 222 M C -0.974 175.350 176.300 0.039 0.000 1.053 222 M CA -0.750 54.508 55.300 -0.072 0.000 0.983 222 M CB 0.770 33.330 32.600 -0.067 0.000 1.520 222 M HN 0.495 nan 8.290 nan 0.000 0.428 223 Y N -0.657 119.651 120.300 0.012 0.000 2.602 223 Y HA 0.538 5.089 4.550 0.001 0.000 0.330 223 Y C -0.054 175.964 175.900 0.197 0.000 1.114 223 Y CA -1.422 56.754 58.100 0.126 0.000 1.182 223 Y CB 0.544 39.045 38.460 0.068 0.000 1.305 223 Y HN 0.479 nan 8.280 nan 0.000 0.502 224 H N 3.116 122.539 119.070 0.588 0.000 2.929 224 H HA 0.104 4.660 4.556 0.001 0.000 0.317 224 H C -1.881 173.722 175.328 0.458 0.000 1.031 224 H CA -1.473 54.872 56.048 0.495 0.000 1.466 224 H CB 1.584 31.737 29.762 0.652 0.000 1.482 224 H HN 0.524 nan 8.280 nan 0.000 0.561 225 P HA -0.133 nan 4.420 nan 0.000 0.221 225 P C 1.236 178.610 177.300 0.123 0.000 1.145 225 P CA 0.918 64.047 63.100 0.048 0.000 0.795 225 P CB 0.353 32.017 31.700 -0.060 0.000 0.775 226 E N -1.091 119.237 120.200 0.213 0.000 2.160 226 E HA -0.193 4.158 4.350 0.001 0.000 0.195 226 E C 1.646 177.937 176.600 -0.514 0.000 0.991 226 E CA 1.265 57.441 56.400 -0.372 0.000 0.810 226 E CB -0.947 28.052 29.700 -1.168 0.000 0.742 226 E HN 0.243 nan 8.360 nan 0.000 0.466 227 W N 0.445 121.619 121.300 -0.209 0.000 2.304 227 W HA -0.231 4.429 4.660 0.001 0.000 0.315 227 W C 2.076 178.575 176.519 -0.033 0.000 1.233 227 W CA 1.434 58.771 57.345 -0.013 0.000 1.261 227 W CB -0.389 29.212 29.460 0.235 0.000 1.150 227 W HN 0.133 nan 8.180 nan 0.000 0.494 228 L N -0.293 121.113 121.223 0.305 0.000 2.093 228 L HA -0.200 4.140 4.340 0.001 0.000 0.208 228 L C 2.319 179.224 176.870 0.058 0.000 1.085 228 L CA 1.284 56.228 54.840 0.173 0.000 0.755 228 L CB -0.856 41.289 42.059 0.143 0.000 0.904 228 L HN -0.045 nan 8.230 nan 0.000 0.435 229 K N -0.328 120.063 120.400 -0.015 0.000 2.009 229 K HA -0.153 4.167 4.320 0.001 0.000 0.210 229 K C 2.380 178.928 176.600 -0.086 0.000 1.049 229 K CA 1.299 57.544 56.287 -0.070 0.000 0.929 229 K CB -0.053 32.364 32.500 -0.138 0.000 0.714 229 K HN 0.144 nan 8.250 nan 0.000 0.440 230 R N 0.643 121.045 120.500 -0.163 0.000 2.080 230 R HA -0.117 4.223 4.340 0.001 0.000 0.236 230 R C 2.387 178.652 176.300 -0.059 0.000 1.137 230 R CA 1.475 57.491 56.100 -0.140 0.000 0.943 230 R CB -0.877 29.289 30.300 -0.223 0.000 0.846 230 R HN 0.262 nan 8.270 nan 0.000 0.431 231 I N 0.722 121.266 120.570 -0.042 0.000 2.194 231 I HA -0.334 3.837 4.170 0.001 0.000 0.246 231 I C 2.777 178.938 176.117 0.074 0.000 1.093 231 I CA 1.527 62.814 61.300 -0.021 0.000 1.355 231 I CB -0.291 37.719 38.000 0.016 0.000 1.046 231 I HN 0.087 nan 8.210 nan 0.000 0.413 232 R N 1.511 122.046 120.500 0.058 0.000 2.083 232 R HA -0.201 4.140 4.340 0.001 0.000 0.237 232 R C 2.091 178.421 176.300 0.050 0.000 1.137 232 R CA 1.758 57.892 56.100 0.057 0.000 0.951 232 R CB -0.275 30.046 30.300 0.036 0.000 0.851 232 R HN 0.031 nan 8.270 nan 0.000 0.434 233 K N 0.198 120.615 120.400 0.028 0.000 2.057 233 K HA -0.015 4.305 4.320 0.001 0.000 0.207 233 K C 1.958 178.591 176.600 0.056 0.000 1.049 233 K CA 1.704 58.008 56.287 0.028 0.000 0.931 233 K CB -0.349 32.153 32.500 0.002 0.000 0.714 233 K HN 0.242 nan 8.250 nan 0.000 0.440 234 I N -0.146 120.473 120.570 0.081 0.000 2.179 234 I HA -0.385 3.785 4.170 0.001 0.000 0.242 234 I C 2.124 178.323 176.117 0.136 0.000 1.088 234 I CA 1.025 62.402 61.300 0.128 0.000 1.357 234 I CB -0.262 37.869 38.000 0.218 0.000 1.051 234 I HN 0.167 nan 8.210 nan 0.000 0.409 235 C N 0.676 120.066 119.300 0.150 0.000 2.393 235 C HA -0.219 4.241 4.460 0.001 0.000 0.276 235 C C 2.517 177.573 174.990 0.110 0.000 1.215 235 C CA 1.125 60.227 59.018 0.141 0.000 1.743 235 C CB -1.055 26.767 27.740 0.137 0.000 2.044 235 C HN 0.534 nan 8.230 nan 0.000 0.464 236 D N -0.040 120.411 120.400 0.085 0.000 2.123 236 D HA -0.147 4.493 4.640 0.001 0.000 0.196 236 D C 2.188 178.532 176.300 0.074 0.000 0.992 236 D CA 1.274 55.317 54.000 0.070 0.000 0.833 236 D CB -0.515 40.315 40.800 0.049 0.000 0.954 236 D HN 0.409 nan 8.370 nan 0.000 0.455 237 R N 1.070 121.612 120.500 0.070 0.000 2.097 237 R HA -0.138 4.203 4.340 0.001 0.000 0.236 237 R C 1.766 178.107 176.300 0.069 0.000 1.135 237 R CA 1.466 57.602 56.100 0.061 0.000 0.934 237 R CB -0.150 30.184 30.300 0.058 0.000 0.846 237 R HN 0.078 nan 8.270 nan 0.000 0.431 238 E N -0.950 119.298 120.200 0.080 0.000 2.482 238 E HA 0.061 4.412 4.350 0.001 0.000 0.196 238 E C 0.988 177.663 176.600 0.124 0.000 1.047 238 E CA 0.856 57.302 56.400 0.076 0.000 0.869 238 E CB 0.242 29.978 29.700 0.059 0.000 0.836 238 E HN 0.664 nan 8.360 nan 0.000 0.520 239 G N 1.820 110.716 108.800 0.159 0.000 2.148 239 G HA2 -0.301 3.659 3.960 0.001 0.000 0.254 239 G HA3 -0.301 3.659 3.960 0.001 0.000 0.254 239 G C 0.319 175.451 174.900 0.387 0.000 0.981 239 G CA 0.271 45.521 45.100 0.250 0.000 0.670 239 G HN 0.270 nan 8.290 nan 0.000 0.528 240 I N 0.667 121.403 120.570 0.277 0.000 2.532 240 I HA 0.398 4.568 4.170 0.001 0.000 0.292 240 I C 1.138 177.378 176.117 0.205 0.000 1.014 240 I CA -0.880 60.597 61.300 0.295 0.000 1.340 240 I CB 0.981 39.060 38.000 0.131 0.000 1.422 240 I HN 0.003 nan 8.210 nan 0.000 0.528 241 L N 5.736 127.069 121.223 0.184 0.000 2.395 241 L HA 0.275 4.615 4.340 0.001 0.000 0.269 241 L C -0.452 176.461 176.870 0.072 0.000 1.133 241 L CA -0.489 54.372 54.840 0.035 0.000 0.812 241 L CB 0.646 42.648 42.059 -0.095 0.000 1.125 241 L HN 0.366 nan 8.230 nan 0.000 0.452 242 L N 4.009 125.257 121.223 0.042 0.000 2.294 242 L HA 0.517 4.858 4.340 0.001 0.000 0.283 242 L C -0.546 176.349 176.870 0.042 0.000 1.015 242 L CA -0.027 54.855 54.840 0.071 0.000 0.831 242 L CB 0.840 42.943 42.059 0.073 0.000 1.217 242 L HN 0.340 nan 8.230 nan 0.000 0.420 243 I N 5.035 125.643 120.570 0.064 0.000 2.336 243 I HA 0.569 4.739 4.170 0.001 0.000 0.292 243 I C 0.211 176.351 176.117 0.038 0.000 0.991 243 I CA -0.363 60.956 61.300 0.031 0.000 1.227 243 I CB 1.633 39.645 38.000 0.020 0.000 1.366 243 I HN 0.770 nan 8.210 nan 0.000 0.466 244 A N 4.768 127.600 122.820 0.020 0.000 2.258 244 A HA 0.360 4.681 4.320 0.001 0.000 0.316 244 A C -0.608 176.999 177.584 0.038 0.000 1.279 244 A CA -0.501 51.555 52.037 0.033 0.000 0.876 244 A CB 0.505 19.511 19.000 0.010 0.000 1.170 244 A HN 0.665 nan 8.150 nan 0.000 0.520 245 D N 2.683 123.138 120.400 0.091 0.000 2.441 245 D HA 0.141 4.781 4.640 0.001 0.000 0.221 245 D C 0.172 176.522 176.300 0.083 0.000 1.156 245 D CA 0.080 54.149 54.000 0.116 0.000 0.896 245 D CB 0.514 41.476 40.800 0.269 0.000 1.028 245 D HN 0.576 nan 8.370 nan 0.000 0.509 246 E N 3.303 123.536 120.200 0.056 0.000 2.423 246 E HA 0.100 4.451 4.350 0.001 0.000 0.198 246 E C 1.558 178.209 176.600 0.084 0.000 1.038 246 E CA -0.205 56.226 56.400 0.051 0.000 1.011 246 E CB 0.549 30.274 29.700 0.042 0.000 1.118 246 E HN 0.612 nan 8.360 nan 0.000 0.451 247 I N 0.956 121.594 120.570 0.114 0.000 2.264 247 I HA -0.292 3.878 4.170 0.001 0.000 0.248 247 I C 2.369 178.614 176.117 0.213 0.000 1.111 247 I CA 1.394 62.786 61.300 0.155 0.000 1.382 247 I CB -0.037 38.041 38.000 0.131 0.000 1.060 247 I HN 0.133 nan 8.210 nan 0.000 0.418 248 A N 0.144 123.106 122.820 0.236 0.000 1.911 248 A HA -0.097 4.223 4.320 0.001 0.000 0.212 248 A C 2.391 180.065 177.584 0.149 0.000 1.189 248 A CA 1.436 53.677 52.037 0.340 0.000 0.639 248 A CB -0.887 18.337 19.000 0.372 0.000 0.839 248 A HN 0.443 nan 8.150 nan 0.000 0.449 249 T N -1.965 112.615 114.554 0.043 0.000 2.942 249 T HA 0.244 4.594 4.350 0.001 0.000 0.265 249 T C 1.314 175.968 174.700 -0.077 0.000 1.062 249 T CA 0.610 62.683 62.100 -0.045 0.000 1.139 249 T CB -0.945 67.864 68.868 -0.098 0.000 0.883 249 T HN 0.521 nan 8.240 nan 0.000 0.468 250 G N 0.761 109.515 108.800 -0.077 0.000 2.825 250 G HA2 0.284 4.245 3.960 0.001 0.000 0.241 250 G HA3 0.284 4.245 3.960 0.001 0.000 0.241 250 G C -0.209 174.448 174.900 -0.404 0.000 1.239 250 G CA -0.445 44.450 45.100 -0.343 0.000 0.859 250 G HN 0.465 nan 8.290 nan 0.000 0.598 251 F N -0.901 118.726 119.950 -0.539 0.000 2.969 251 F HA -0.202 4.325 4.527 0.001 0.000 0.273 251 F C 1.822 177.293 175.800 -0.550 0.000 0.986 251 F CA 1.554 59.209 58.000 -0.575 0.000 0.926 251 F CB -1.608 37.221 39.000 -0.284 0.000 0.887 251 F HN 1.734 nan 8.300 nan 0.000 0.816 252 G N -1.268 107.133 108.800 -0.663 0.000 2.199 252 G HA2 -0.446 3.515 3.960 0.001 0.000 0.254 252 G HA3 -0.446 3.515 3.960 0.001 0.000 0.254 252 G C 1.083 175.803 174.900 -0.300 0.000 0.982 252 G CA 0.630 45.290 45.100 -0.733 0.000 0.632 252 G HN 0.618 nan 8.290 nan 0.000 0.529 253 R N 1.385 121.839 120.500 -0.076 0.000 2.113 253 R HA -0.099 4.241 4.340 0.001 0.000 0.244 253 R C 2.802 179.067 176.300 -0.058 0.000 1.142 253 R CA 3.022 59.135 56.100 0.022 0.000 0.953 253 R CB -1.171 29.156 30.300 0.045 0.000 0.860 253 R HN 0.827 nan 8.270 nan 0.000 0.438 254 T N -3.632 110.870 114.554 -0.086 0.000 3.169 254 T HA 0.308 4.658 4.350 0.001 0.000 0.250 254 T C 1.206 175.937 174.700 0.051 0.000 1.111 254 T CA 0.569 62.624 62.100 -0.075 0.000 1.010 254 T CB 0.318 69.059 68.868 -0.211 0.000 0.984 254 T HN 0.458 nan 8.240 nan 0.000 0.537 255 G N 0.809 109.659 108.800 0.083 0.000 2.284 255 G HA2 -0.165 3.795 3.960 0.001 0.000 0.216 255 G HA3 -0.165 3.795 3.960 0.001 0.000 0.216 255 G C -0.039 175.047 174.900 0.311 0.000 1.009 255 G CA -0.222 44.984 45.100 0.176 0.000 0.625 255 G HN 0.643 nan 8.290 nan 0.000 0.501 256 K N -0.266 120.306 120.400 0.287 0.000 2.221 256 K HA 0.675 4.996 4.320 0.001 0.000 0.243 256 K C 0.989 177.596 176.600 0.012 0.000 0.968 256 K CA -0.842 55.609 56.287 0.273 0.000 0.846 256 K CB 2.180 34.837 32.500 0.260 0.000 1.141 256 K HN 0.030 nan 8.250 nan 0.000 0.434 257 L N 1.231 122.421 121.223 -0.055 0.000 1.989 257 L HA -0.001 4.339 4.340 0.001 0.000 0.211 257 L C -0.126 176.160 176.870 -0.973 0.000 1.071 257 L CA 1.930 56.398 54.840 -0.618 0.000 0.749 257 L CB -0.045 41.809 42.059 -0.342 0.000 0.890 257 L HN 0.417 nan 8.230 nan 0.000 0.431 258 F N -1.987 117.887 119.950 -0.127 0.000 2.495 258 F HA 0.513 5.040 4.527 0.000 0.000 0.327 258 F C 1.091 176.840 175.800 -0.086 0.000 1.103 258 F CA -0.349 57.550 58.000 -0.168 0.000 0.949 258 F CB 1.174 40.074 39.000 -0.167 0.000 1.142 258 F HN -0.116 nan 8.300 nan 0.000 0.457 259 A N 0.625 123.450 122.820 0.007 0.000 2.121 259 A HA -0.099 4.221 4.320 0.001 0.000 0.218 259 A C 1.866 179.428 177.584 -0.037 0.000 1.154 259 A CA 1.245 53.216 52.037 -0.109 0.000 0.679 259 A CB -1.127 17.733 19.000 -0.233 0.000 0.795 259 A HN 0.903 nan 8.150 nan 0.000 0.458 260 C N -0.364 118.963 119.300 0.044 0.000 2.419 260 C HA -0.080 4.380 4.460 0.001 0.000 0.281 260 C C 2.467 177.514 174.990 0.095 0.000 1.336 260 C CA 0.952 60.002 59.018 0.053 0.000 1.770 260 C CB -1.218 26.546 27.740 0.041 0.000 1.929 260 C HN 0.671 nan 8.230 nan 0.000 0.509 261 E N 0.037 120.324 120.200 0.145 0.000 2.097 261 E HA -0.254 4.096 4.350 0.001 0.000 0.196 261 E C 1.702 178.384 176.600 0.137 0.000 1.000 261 E CA 1.517 58.001 56.400 0.141 0.000 0.804 261 E CB -0.285 29.511 29.700 0.160 0.000 0.740 261 E HN 0.719 nan 8.360 nan 0.000 0.454 262 H N 0.000 119.062 119.070 -0.014 0.000 2.394 262 H HA -0.136 4.421 4.556 0.001 0.000 0.297 262 H C 1.659 176.963 175.328 -0.041 0.000 1.113 262 H CA 1.639 57.663 56.048 -0.040 0.000 1.277 262 H CB -0.206 29.511 29.762 -0.075 0.000 1.370 262 H HN 0.215 nan 8.280 nan 0.000 0.506 263 A N -0.118 122.763 122.820 0.101 0.000 2.308 263 A HA 0.106 4.427 4.320 0.001 0.000 0.217 263 A C 0.309 177.906 177.584 0.022 0.000 1.216 263 A CA 0.234 52.297 52.037 0.043 0.000 0.864 263 A CB 0.083 19.112 19.000 0.049 0.000 0.902 263 A HN 0.465 nan 8.150 nan 0.000 0.499 264 E N -0.858 119.361 120.200 0.032 0.000 2.252 264 E HA -0.228 4.123 4.350 0.001 0.000 0.218 264 E C -0.458 176.153 176.600 0.018 0.000 1.253 264 E CA 0.799 57.212 56.400 0.022 0.000 0.705 264 E CB -1.912 27.792 29.700 0.007 0.000 1.172 264 E HN 0.855 nan 8.360 nan 0.000 0.369 265 I N -3.782 116.803 120.570 0.025 0.000 3.074 265 I HA 0.834 5.004 4.170 0.001 0.000 0.310 265 I C -0.667 175.457 176.117 0.013 0.000 1.153 265 I CA -1.062 60.248 61.300 0.017 0.000 0.993 265 I CB 2.195 40.207 38.000 0.020 0.000 1.237 265 I HN -0.034 nan 8.210 nan 0.000 0.443 266 A N 3.046 125.867 122.820 0.002 0.000 2.343 266 A HA 0.967 5.288 4.320 0.001 0.000 0.316 266 A C -2.760 174.816 177.584 -0.014 0.000 1.104 266 A CA -1.550 50.478 52.037 -0.016 0.000 0.768 266 A CB 0.746 19.731 19.000 -0.025 0.000 1.213 266 A HN 0.648 nan 8.150 nan 0.000 0.456 267 P HA 0.300 nan 4.420 nan 0.000 0.279 267 P C -0.318 176.959 177.300 -0.039 0.000 1.276 267 P CA -0.262 62.828 63.100 -0.017 0.000 0.801 267 P CB 1.032 32.721 31.700 -0.019 0.000 1.127 268 D N -0.464 119.909 120.400 -0.044 0.000 2.162 268 D HA 0.070 4.710 4.640 0.001 0.000 0.203 268 D C 0.550 176.794 176.300 -0.092 0.000 0.967 268 D CA 1.353 55.305 54.000 -0.081 0.000 0.840 268 D CB 0.325 41.053 40.800 -0.120 0.000 0.972 268 D HN 0.302 nan 8.370 nan 0.000 0.482 269 I N 1.138 121.663 120.570 -0.076 0.000 2.498 269 I HA 0.204 4.374 4.170 0.001 0.000 0.290 269 I C -1.110 174.970 176.117 -0.062 0.000 1.032 269 I CA -0.869 60.385 61.300 -0.077 0.000 1.073 269 I CB 2.795 40.748 38.000 -0.078 0.000 1.251 269 I HN -0.214 nan 8.210 nan 0.000 0.426 270 L N 7.335 128.513 121.223 -0.075 0.000 2.325 270 L HA 0.613 4.953 4.340 0.001 0.000 0.281 270 L C -0.931 175.908 176.870 -0.052 0.000 1.004 270 L CA -0.100 54.692 54.840 -0.081 0.000 0.823 270 L CB 1.097 43.064 42.059 -0.153 0.000 1.236 270 L HN 0.654 nan 8.230 nan 0.000 0.415 271 C N 5.836 125.125 119.300 -0.019 0.000 2.319 271 C HA 0.700 5.161 4.460 0.001 0.000 0.335 271 C C 0.062 175.079 174.990 0.045 0.000 1.274 271 C CA -0.930 58.097 59.018 0.015 0.000 1.806 271 C CB 0.047 27.802 27.740 0.025 0.000 2.329 271 C HN 0.729 nan 8.230 nan 0.000 0.524 272 L N 2.666 123.939 121.223 0.084 0.000 2.354 272 L HA 0.944 5.284 4.340 0.001 0.000 0.264 272 L C 0.627 177.608 176.870 0.185 0.000 1.008 272 L CA -0.033 54.904 54.840 0.163 0.000 0.819 272 L CB 1.952 44.160 42.059 0.247 0.000 1.339 272 L HN 0.919 nan 8.230 nan 0.000 0.420 273 G N -0.415 108.528 108.800 0.238 0.000 2.565 273 G HA2 0.191 4.152 3.960 0.001 0.000 0.142 273 G HA3 0.191 4.152 3.960 0.001 0.000 0.142 273 G C -0.203 174.814 174.900 0.195 0.000 1.181 273 G CA -0.045 45.163 45.100 0.180 0.000 1.066 273 G HN 0.510 nan 8.290 nan 0.000 0.530 274 K N -0.708 119.769 120.400 0.129 0.000 2.988 274 K HA -0.401 3.919 4.320 0.001 0.000 0.275 274 K C 2.213 178.867 176.600 0.091 0.000 0.706 274 K CA 2.846 59.198 56.287 0.108 0.000 1.177 274 K CB -1.177 31.409 32.500 0.144 0.000 0.936 274 K HN 0.901 nan 8.250 nan 0.000 0.672 275 A N 0.654 123.559 122.820 0.142 0.000 2.238 275 A HA 0.052 4.372 4.320 0.001 0.000 0.208 275 A C 1.732 179.214 177.584 -0.170 0.000 1.177 275 A CA 0.778 52.825 52.037 0.018 0.000 0.804 275 A CB -0.176 18.858 19.000 0.056 0.000 0.823 275 A HN 0.394 nan 8.150 nan 0.000 0.482 276 L N 0.703 121.850 121.223 -0.126 0.000 2.043 276 L HA -0.164 4.177 4.340 0.001 0.000 0.212 276 L C 2.298 178.986 176.870 -0.302 0.000 1.075 276 L CA 2.954 57.566 54.840 -0.379 0.000 0.752 276 L CB -0.750 41.307 42.059 -0.003 0.000 0.891 276 L HN 0.469 nan 8.230 nan 0.000 0.432 277 T N -3.966 110.499 114.554 -0.150 0.000 3.086 277 T HA 0.401 4.751 4.350 0.001 0.000 0.250 277 T C 1.292 175.934 174.700 -0.097 0.000 1.074 277 T CA 0.218 62.251 62.100 -0.111 0.000 0.988 277 T CB -0.177 68.653 68.868 -0.062 0.000 0.988 277 T HN 0.785 nan 8.240 nan 0.000 0.530 278 G N 0.897 109.632 108.800 -0.108 0.000 2.147 278 G HA2 0.108 4.069 3.960 0.001 0.000 0.244 278 G HA3 0.108 4.069 3.960 0.001 0.000 0.244 278 G C 0.991 175.834 174.900 -0.095 0.000 1.005 278 G CA 0.168 45.234 45.100 -0.057 0.000 0.713 278 G HN 1.767 nan 8.290 nan 0.000 0.515 279 G N -1.350 107.399 108.800 -0.085 0.000 2.249 279 G HA2 -0.053 3.907 3.960 0.001 0.000 0.273 279 G HA3 -0.053 3.907 3.960 0.001 0.000 0.273 279 G C 1.343 176.219 174.900 -0.041 0.000 1.036 279 G CA 1.874 46.935 45.100 -0.064 0.000 0.824 279 G HN 2.162 nan 8.290 nan 0.000 0.504 280 T N -3.095 111.439 114.554 -0.034 0.000 2.976 280 T HA 0.506 4.857 4.350 0.001 0.000 0.257 280 T C 1.112 175.805 174.700 -0.012 0.000 1.051 280 T CA 1.569 63.658 62.100 -0.017 0.000 1.141 280 T CB 0.022 68.874 68.868 -0.026 0.000 0.881 280 T HN 1.656 nan 8.240 nan 0.000 0.461 281 M N -0.982 118.605 119.600 -0.021 0.000 2.956 281 M HA 0.451 4.932 4.480 0.001 0.000 0.272 281 M C -1.213 175.071 176.300 -0.027 0.000 1.132 281 M CA -0.939 54.345 55.300 -0.028 0.000 0.805 281 M CB 1.435 34.009 32.600 -0.044 0.000 1.639 281 M HN -0.188 nan 8.290 nan 0.000 0.520 282 T N 1.529 116.063 114.554 -0.033 0.000 2.901 282 T HA 0.644 4.994 4.350 0.001 0.000 0.301 282 T C -1.077 173.611 174.700 -0.021 0.000 1.012 282 T CA 0.004 62.091 62.100 -0.022 0.000 1.135 282 T CB 0.218 69.071 68.868 -0.025 0.000 0.936 282 T HN 0.620 nan 8.240 nan 0.000 0.539 283 L N 3.702 124.927 121.223 0.003 0.000 2.794 283 L HA 0.700 5.041 4.340 0.001 0.000 0.261 283 L C -1.286 175.612 176.870 0.047 0.000 0.989 283 L CA -0.205 54.645 54.840 0.015 0.000 0.900 283 L CB 1.858 43.917 42.059 0.000 0.000 1.473 283 L HN 0.773 nan 8.230 nan 0.000 0.414 284 S N 1.871 117.611 115.700 0.067 0.000 2.588 284 S HA 1.037 5.507 4.470 0.001 0.000 0.269 284 S C -1.459 173.211 174.600 0.117 0.000 1.157 284 S CA -0.075 58.183 58.200 0.098 0.000 0.824 284 S CB 1.656 64.914 63.200 0.097 0.000 1.126 284 S HN 1.962 nan 8.310 nan 0.000 0.464 285 A N 0.946 123.845 122.820 0.132 0.000 2.517 285 A HA 0.768 5.088 4.320 0.001 0.000 0.297 285 A C -0.755 176.895 177.584 0.110 0.000 1.050 285 A CA -0.676 51.443 52.037 0.137 0.000 0.694 285 A CB 1.687 20.764 19.000 0.129 0.000 1.277 285 A HN 0.878 nan 8.150 nan 0.000 0.400 286 T N 2.860 117.486 114.554 0.121 0.000 2.809 286 T HA 0.546 4.897 4.350 0.001 0.000 0.296 286 T C -0.595 174.129 174.700 0.040 0.000 1.015 286 T CA -0.086 62.046 62.100 0.053 0.000 0.954 286 T CB 0.225 69.099 68.868 0.009 0.000 0.950 286 T HN 0.416 nan 8.240 nan 0.000 0.450 287 L N 2.615 123.832 121.223 -0.010 0.000 2.343 287 L HA 0.805 5.146 4.340 0.001 0.000 0.275 287 L C 0.733 177.565 176.870 -0.063 0.000 1.056 287 L CA -0.072 54.751 54.840 -0.029 0.000 0.804 287 L CB 1.889 43.911 42.059 -0.061 0.000 1.203 287 L HN 0.590 nan 8.230 nan 0.000 0.440 288 T N -0.755 113.760 114.554 -0.064 0.000 2.681 288 T HA 0.637 4.987 4.350 0.001 0.000 0.296 288 T C -0.658 174.000 174.700 -0.070 0.000 1.157 288 T CA -0.117 61.930 62.100 -0.088 0.000 1.025 288 T CB 1.381 70.173 68.868 -0.126 0.000 1.441 288 T HN 0.751 nan 8.240 nan 0.000 0.504 289 T N -0.559 113.949 114.554 -0.077 0.000 2.936 289 T HA 0.482 4.832 4.350 0.001 0.000 0.282 289 T C 1.196 175.870 174.700 -0.043 0.000 1.003 289 T CA -0.683 61.383 62.100 -0.056 0.000 1.005 289 T CB 1.346 70.178 68.868 -0.059 0.000 1.097 289 T HN 0.636 nan 8.240 nan 0.000 0.532 290 R N 0.196 120.680 120.500 -0.026 0.000 2.073 290 R HA -0.131 4.209 4.340 0.001 0.000 0.234 290 R C 2.349 178.644 176.300 -0.009 0.000 1.134 290 R CA 1.869 57.960 56.100 -0.015 0.000 0.952 290 R CB -0.478 29.816 30.300 -0.009 0.000 0.850 290 R HN 0.864 nan 8.270 nan 0.000 0.433 291 E N -0.018 120.179 120.200 -0.005 0.000 2.097 291 E HA -0.170 4.181 4.350 0.001 0.000 0.196 291 E C 1.714 178.351 176.600 0.062 0.000 1.000 291 E CA 2.029 58.442 56.400 0.021 0.000 0.804 291 E CB -0.294 29.420 29.700 0.024 0.000 0.740 291 E HN 0.216 nan 8.360 nan 0.000 0.454 292 V N 0.786 120.706 119.914 0.009 0.000 2.307 292 V HA -0.189 3.931 4.120 0.001 0.000 0.245 292 V C 2.457 178.558 176.094 0.011 0.000 1.045 292 V CA 1.842 64.152 62.300 0.017 0.000 1.024 292 V CB -1.075 30.652 31.823 -0.160 0.000 0.651 292 V HN 0.472 nan 8.190 nan 0.000 0.449 293 A N -0.414 122.385 122.820 -0.036 0.000 1.933 293 A HA -0.219 4.101 4.320 0.001 0.000 0.218 293 A C 2.185 179.762 177.584 -0.012 0.000 1.175 293 A CA 1.812 53.822 52.037 -0.045 0.000 0.628 293 A CB -0.414 18.566 19.000 -0.032 0.000 0.814 293 A HN 0.629 nan 8.150 nan 0.000 0.444 294 E N -0.968 119.229 120.200 -0.004 0.000 2.107 294 E HA -0.098 4.252 4.350 0.001 0.000 0.191 294 E C 2.068 178.656 176.600 -0.019 0.000 0.982 294 E CA 1.381 57.778 56.400 -0.005 0.000 0.809 294 E CB -0.284 29.412 29.700 -0.007 0.000 0.756 294 E HN 0.570 nan 8.360 nan 0.000 0.459 295 T N 1.826 116.363 114.554 -0.028 0.000 2.652 295 T HA -0.163 4.187 4.350 0.001 0.000 0.267 295 T C 2.010 176.660 174.700 -0.084 0.000 1.039 295 T CA 0.987 63.024 62.100 -0.105 0.000 1.153 295 T CB -0.277 68.445 68.868 -0.242 0.000 0.863 295 T HN 0.089 nan 8.240 nan 0.000 0.428 296 I N 1.012 121.565 120.570 -0.028 0.000 2.068 296 I HA -0.279 3.892 4.170 0.001 0.000 0.238 296 I C 2.770 178.908 176.117 0.036 0.000 1.046 296 I CA 1.380 62.688 61.300 0.014 0.000 1.306 296 I CB -0.562 37.450 38.000 0.019 0.000 1.023 296 I HN 0.199 nan 8.210 nan 0.000 0.399 297 S N 0.854 116.579 115.700 0.042 0.000 2.381 297 S HA -0.235 4.236 4.470 0.001 0.000 0.230 297 S C 1.523 176.138 174.600 0.025 0.000 1.052 297 S CA 1.977 60.208 58.200 0.051 0.000 1.068 297 S CB -0.525 62.701 63.200 0.043 0.000 0.918 297 S HN 0.448 nan 8.310 nan 0.000 0.448 298 N N 1.253 119.952 118.700 -0.002 0.000 2.521 298 N HA 0.115 4.855 4.740 0.001 0.000 0.188 298 N C 0.817 176.314 175.510 -0.021 0.000 1.146 298 N CA 0.414 53.456 53.050 -0.015 0.000 0.893 298 N CB -0.516 37.952 38.487 -0.031 0.000 0.975 298 N HN 0.396 nan 8.380 nan 0.000 0.451 303 C N -1.986 117.368 119.300 0.089 0.000 3.336 303 C HA 0.855 5.315 4.460 0.001 0.000 0.339 303 C C -1.275 173.844 174.990 0.215 0.000 1.468 303 C CA -1.594 57.507 59.018 0.137 0.000 1.287 303 C CB 0.932 28.735 27.740 0.105 0.000 1.682 303 C HN 0.408 nan 8.230 nan 0.000 0.451 304 F N 2.814 122.819 119.950 0.091 0.000 2.350 304 F HA 0.580 5.108 4.527 0.001 0.000 0.365 304 F C 0.601 176.490 175.800 0.149 0.000 1.122 304 F CA -1.354 56.710 58.000 0.106 0.000 1.139 304 F CB 1.118 40.185 39.000 0.113 0.000 1.220 304 F HN 0.548 nan 8.300 nan 0.000 0.499 305 M N 6.691 126.063 119.600 -0.381 0.000 3.593 305 M HA 0.076 4.557 4.480 0.001 0.000 0.204 305 M C -1.016 175.043 176.300 -0.401 0.000 1.569 305 M CA 0.635 55.754 55.300 -0.301 0.000 1.694 305 M CB -2.135 30.358 32.600 -0.177 0.000 1.149 305 M HN 0.621 nan 8.290 nan 0.000 0.552 306 H N -1.300 117.532 119.070 -0.396 0.000 3.123 306 H HA 0.577 5.134 4.556 0.001 0.000 0.346 306 H C -0.414 175.047 175.328 0.222 0.000 1.138 306 H CA -0.326 55.615 56.048 -0.180 0.000 1.273 306 H CB 1.597 31.057 29.762 -0.503 0.000 1.926 306 H HN 0.464 nan 8.280 nan 0.000 0.524 307 G N 4.378 113.285 108.800 0.178 0.000 3.748 307 G HA2 0.203 4.164 3.960 0.001 0.000 0.292 307 G HA3 0.203 4.164 3.960 0.001 0.000 0.292 307 G C -2.950 172.034 174.900 0.139 0.000 3.340 307 G CA -0.873 44.368 45.100 0.236 0.000 0.603 307 G HN 0.391 nan 8.290 nan 0.000 0.290 308 P HA 0.148 nan 4.420 nan 0.000 0.266 308 P C 1.416 178.774 177.300 0.097 0.000 1.193 308 P CA 0.016 63.212 63.100 0.158 0.000 0.770 308 P CB 0.879 32.715 31.700 0.225 0.000 0.836 309 T N 0.937 115.519 114.554 0.047 0.000 2.684 309 T HA -0.136 4.214 4.350 0.001 0.000 0.267 309 T C 0.872 175.485 174.700 -0.145 0.000 1.036 309 T CA 1.612 63.655 62.100 -0.095 0.000 1.148 309 T CB -0.594 68.149 68.868 -0.207 0.000 0.863 309 T HN 0.362 nan 8.240 nan 0.000 0.436 310 F N 0.752 120.712 119.950 0.017 0.000 2.713 310 F HA 0.439 4.966 4.527 -0.001 0.000 0.294 310 F C 0.685 176.512 175.800 0.046 0.000 1.152 310 F CA -0.677 57.299 58.000 -0.040 0.000 1.385 310 F CB -0.679 38.137 39.000 -0.307 0.000 0.981 310 F HN 0.100 nan 8.300 nan 0.000 0.514 311 M N 0.487 120.183 119.600 0.159 0.000 2.240 311 M HA 0.127 4.608 4.480 0.001 0.000 0.346 311 M C 1.459 177.638 176.300 -0.202 0.000 1.236 311 M CA 1.573 56.873 55.300 -0.000 0.000 0.986 311 M CB 0.202 32.790 32.600 -0.019 0.000 1.786 311 M HN 0.571 nan 8.290 nan 0.000 0.457 312 G N 3.353 111.908 108.800 -0.409 0.000 2.175 312 G HA2 -0.369 3.592 3.960 0.001 0.000 0.265 312 G HA3 -0.369 3.592 3.960 0.001 0.000 0.265 312 G C 0.086 174.894 174.900 -0.154 0.000 0.979 312 G CA 0.721 45.422 45.100 -0.666 0.000 0.663 312 G HN 1.058 nan 8.290 nan 0.000 0.533 313 N N 1.097 119.834 118.700 0.061 0.000 1.916 313 N HA 0.079 4.819 4.740 0.001 0.000 0.307 313 N C -0.273 175.296 175.510 0.099 0.000 1.322 313 N CA 0.243 53.433 53.050 0.234 0.000 0.808 313 N CB 0.539 39.116 38.487 0.151 0.000 1.056 313 N HN 0.184 nan 8.380 nan 0.000 0.499 314 P HA -0.211 nan 4.420 nan 0.000 0.216 314 P C 1.451 178.743 177.300 -0.012 0.000 1.157 314 P CA 0.804 63.828 63.100 -0.126 0.000 0.880 314 P CB 0.082 31.591 31.700 -0.319 0.000 0.791 315 L N -0.555 120.673 121.223 0.009 0.000 2.046 315 L HA -0.082 4.258 4.340 0.001 0.000 0.208 315 L C 2.200 179.064 176.870 -0.010 0.000 1.077 315 L CA 2.126 56.965 54.840 -0.003 0.000 0.747 315 L CB -1.574 40.480 42.059 -0.008 0.000 0.896 315 L HN -0.121 nan 8.230 nan 0.000 0.432 316 A N -1.593 121.220 122.820 -0.011 0.000 1.930 316 A HA -0.194 4.127 4.320 0.001 0.000 0.217 316 A C 2.375 179.952 177.584 -0.012 0.000 1.175 316 A CA 1.589 53.613 52.037 -0.021 0.000 0.627 316 A CB -1.392 17.590 19.000 -0.029 0.000 0.815 316 A HN 0.618 nan 8.150 nan 0.000 0.443 317 C N -0.992 118.314 119.300 0.009 0.000 2.429 317 C HA 0.057 4.517 4.460 0.001 0.000 0.277 317 C C 3.299 178.296 174.990 0.011 0.000 1.262 317 C CA 0.774 59.803 59.018 0.018 0.000 1.733 317 C CB -1.289 26.488 27.740 0.062 0.000 2.010 317 C HN 0.703 nan 8.230 nan 0.000 0.483 318 A N 0.485 123.313 122.820 0.013 0.000 1.933 318 A HA 0.084 4.404 4.320 0.001 0.000 0.218 318 A C 2.346 179.918 177.584 -0.020 0.000 1.175 318 A CA 2.017 54.056 52.037 0.003 0.000 0.628 318 A CB -0.814 18.188 19.000 0.004 0.000 0.814 318 A HN 0.562 nan 8.150 nan 0.000 0.444 319 A N -0.018 122.785 122.820 -0.028 0.000 1.877 319 A HA 0.167 4.488 4.320 0.001 0.000 0.216 319 A C 2.535 180.076 177.584 -0.070 0.000 1.186 319 A CA 2.112 54.120 52.037 -0.047 0.000 0.620 319 A CB -1.132 17.842 19.000 -0.043 0.000 0.822 319 A HN 1.081 nan 8.150 nan 0.000 0.443 320 A N 0.247 123.027 122.820 -0.067 0.000 1.908 320 A HA -0.233 4.088 4.320 0.001 0.000 0.218 320 A C 1.950 179.481 177.584 -0.088 0.000 1.181 320 A CA 1.914 53.893 52.037 -0.096 0.000 0.627 320 A CB -0.706 18.245 19.000 -0.082 0.000 0.818 320 A HN 0.557 nan 8.150 nan 0.000 0.445 321 N N 0.441 119.112 118.700 -0.048 0.000 2.069 321 N HA -0.139 4.602 4.740 0.001 0.000 0.191 321 N C 1.907 177.382 175.510 -0.058 0.000 1.031 321 N CA 1.681 54.711 53.050 -0.034 0.000 0.852 321 N CB -0.625 37.859 38.487 -0.005 0.000 1.018 321 N HN 0.475 nan 8.380 nan 0.000 0.423 322 A N 0.129 122.906 122.820 -0.073 0.000 1.933 322 A HA -0.120 4.200 4.320 0.001 0.000 0.218 322 A C 2.455 179.924 177.584 -0.192 0.000 1.175 322 A CA 1.946 53.919 52.037 -0.107 0.000 0.628 322 A CB -0.743 18.201 19.000 -0.094 0.000 0.814 322 A HN 0.347 nan 8.150 nan 0.000 0.444 323 S N -0.681 114.899 115.700 -0.201 0.000 2.387 323 S HA -0.005 4.465 4.470 0.001 0.000 0.226 323 S C 1.874 176.387 174.600 -0.144 0.000 1.026 323 S CA 1.076 59.131 58.200 -0.241 0.000 0.972 323 S CB -0.409 62.724 63.200 -0.112 0.000 0.814 323 S HN 0.501 nan 8.310 nan 0.000 0.477 324 L N 0.893 122.042 121.223 -0.124 0.000 2.156 324 L HA 0.037 4.378 4.340 0.001 0.000 0.208 324 L C 2.934 179.801 176.870 -0.006 0.000 1.095 324 L CA 1.011 55.813 54.840 -0.064 0.000 0.770 324 L CB -0.720 41.316 42.059 -0.039 0.000 0.914 324 L HN 0.421 nan 8.230 nan 0.000 0.439 325 A N 0.629 123.429 122.820 -0.034 0.000 1.898 325 A HA -0.167 4.154 4.320 0.001 0.000 0.216 325 A C 2.174 179.755 177.584 -0.006 0.000 1.181 325 A CA 1.282 53.313 52.037 -0.010 0.000 0.620 325 A CB -0.545 18.441 19.000 -0.024 0.000 0.819 325 A HN 0.316 nan 8.150 nan 0.000 0.442 326 I N -0.099 120.420 120.570 -0.086 0.000 2.208 326 I HA -0.287 3.883 4.170 0.001 0.000 0.245 326 I C 2.208 178.392 176.117 0.113 0.000 1.097 326 I CA 1.268 62.520 61.300 -0.079 0.000 1.363 326 I CB -0.395 37.354 38.000 -0.418 0.000 1.051 326 I HN 0.288 nan 8.210 nan 0.000 0.413 327 L N 0.179 121.499 121.223 0.162 0.000 2.275 327 L HA -0.168 4.172 4.340 0.001 0.000 0.215 327 L C 2.334 179.390 176.870 0.311 0.000 1.119 327 L CA 1.091 56.105 54.840 0.290 0.000 0.790 327 L CB -0.653 41.474 42.059 0.113 0.000 0.919 327 L HN 0.274 nan 8.230 nan 0.000 0.443 328 E N 0.147 120.459 120.200 0.186 0.000 2.204 328 E HA -0.207 4.144 4.350 0.001 0.000 0.195 328 E C 2.331 179.021 176.600 0.151 0.000 0.990 328 E CA 1.411 57.910 56.400 0.164 0.000 0.821 328 E CB -0.060 29.703 29.700 0.105 0.000 0.750 328 E HN 0.559 nan 8.360 nan 0.000 0.477 329 S N -0.516 115.267 115.700 0.139 0.000 2.419 329 S HA -0.121 4.349 4.470 0.001 0.000 0.235 329 S C 1.844 176.491 174.600 0.078 0.000 1.019 329 S CA 1.243 59.503 58.200 0.100 0.000 0.982 329 S CB -0.222 63.034 63.200 0.094 0.000 0.789 329 S HN 0.439 nan 8.310 nan 0.000 0.490 330 G N 0.971 109.843 108.800 0.119 0.000 2.217 330 G HA2 -0.267 3.694 3.960 0.001 0.000 0.246 330 G HA3 -0.267 3.694 3.960 0.001 0.000 0.246 330 G C 0.459 175.196 174.900 -0.272 0.000 0.990 330 G CA 0.444 45.505 45.100 -0.065 0.000 0.627 330 G HN 0.504 nan 8.290 nan 0.000 0.522 331 D N 0.384 120.749 120.400 -0.058 0.000 2.280 331 D HA -0.124 4.517 4.640 0.001 0.000 0.206 331 D C 2.253 178.523 176.300 -0.050 0.000 0.988 331 D CA 1.524 55.499 54.000 -0.043 0.000 0.886 331 D CB -0.450 40.395 40.800 0.074 0.000 0.914 331 D HN 0.883 nan 8.370 nan 0.000 0.473 332 W N 1.317 122.641 121.300 0.040 0.000 2.374 332 W HA -0.137 4.524 4.660 0.001 0.000 0.288 332 W C 1.416 177.865 176.519 -0.117 0.000 1.218 332 W CA 0.430 57.765 57.345 -0.017 0.000 1.245 332 W CB -0.947 28.522 29.460 0.015 0.000 1.126 332 W HN 0.078 nan 8.180 nan 0.000 0.545 333 Q N 0.864 120.024 119.800 -1.066 0.000 2.020 333 Q HA -0.272 4.068 4.340 0.001 0.000 0.202 333 Q C 2.287 178.064 176.000 -0.372 0.000 0.982 333 Q CA 1.982 57.241 55.803 -0.906 0.000 0.838 333 Q CB -0.628 27.479 28.738 -1.053 0.000 0.899 333 Q HN 0.193 nan 8.270 nan 0.000 0.423 334 Q N 1.176 120.802 119.800 -0.290 0.000 2.084 334 Q HA -0.174 4.167 4.340 0.001 0.000 0.202 334 Q C 1.926 177.871 176.000 -0.092 0.000 0.978 334 Q CA 1.723 57.433 55.803 -0.155 0.000 0.844 334 Q CB -0.077 28.592 28.738 -0.115 0.000 0.898 334 Q HN 0.367 nan 8.270 nan 0.000 0.426 335 Q N -1.191 118.573 119.800 -0.060 0.000 2.061 335 Q HA -0.138 4.203 4.340 0.001 0.000 0.204 335 Q C 2.049 178.037 176.000 -0.019 0.000 0.984 335 Q CA 1.871 57.676 55.803 0.004 0.000 0.846 335 Q CB -0.097 28.694 28.738 0.089 0.000 0.902 335 Q HN 0.241 nan 8.270 nan 0.000 0.421 336 V N 0.515 120.386 119.914 -0.071 0.000 2.427 336 V HA -0.242 3.879 4.120 0.001 0.000 0.248 336 V C 2.132 178.195 176.094 -0.052 0.000 1.051 336 V CA 1.558 63.802 62.300 -0.093 0.000 1.048 336 V CB -0.866 30.871 31.823 -0.144 0.000 0.666 336 V HN 0.420 nan 8.190 nan 0.000 0.456 337 A N 0.127 122.908 122.820 -0.065 0.000 1.883 337 A HA -0.257 4.064 4.320 0.001 0.000 0.217 337 A C 1.979 179.542 177.584 -0.034 0.000 1.186 337 A CA 2.139 54.143 52.037 -0.055 0.000 0.624 337 A CB -0.599 18.354 19.000 -0.079 0.000 0.822 337 A HN 0.536 nan 8.150 nan 0.000 0.444 338 D N -0.270 120.113 120.400 -0.029 0.000 2.183 338 D HA -0.046 4.595 4.640 0.001 0.000 0.203 338 D C 1.793 178.093 176.300 0.000 0.000 0.969 338 D CA 0.850 54.842 54.000 -0.013 0.000 0.842 338 D CB -0.287 40.508 40.800 -0.008 0.000 0.957 338 D HN 0.527 nan 8.370 nan 0.000 0.484 339 I N 0.869 121.443 120.570 0.006 0.000 2.315 339 I HA -0.193 3.977 4.170 0.001 0.000 0.248 339 I C 2.438 178.561 176.117 0.011 0.000 1.117 339 I CA 0.882 62.193 61.300 0.019 0.000 1.404 339 I CB -0.054 37.969 38.000 0.038 0.000 1.071 339 I HN -0.033 nan 8.210 nan 0.000 0.419 340 E N 0.831 121.031 120.200 0.000 0.000 2.051 340 E HA -0.207 4.143 4.350 0.001 0.000 0.192 340 E C 2.343 178.944 176.600 0.001 0.000 0.991 340 E CA 1.587 57.987 56.400 -0.000 0.000 0.799 340 E CB 0.110 29.806 29.700 -0.006 0.000 0.748 340 E HN 0.226 nan 8.360 nan 0.000 0.449 341 V N 1.082 120.995 119.914 -0.002 0.000 2.287 341 V HA -0.297 3.824 4.120 0.001 0.000 0.248 341 V C 2.561 178.658 176.094 0.005 0.000 1.053 341 V CA 2.274 64.573 62.300 -0.001 0.000 1.027 341 V CB -0.565 31.255 31.823 -0.005 0.000 0.646 341 V HN 0.395 nan 8.190 nan 0.000 0.447 342 Q N -0.899 118.905 119.800 0.007 0.000 2.226 342 Q HA -0.144 4.196 4.340 0.001 0.000 0.204 342 Q C 2.182 178.190 176.000 0.013 0.000 0.975 342 Q CA 1.327 57.136 55.803 0.011 0.000 0.866 342 Q CB -0.038 28.708 28.738 0.013 0.000 0.915 342 Q HN 0.607 nan 8.270 nan 0.000 0.440 343 L N -0.675 120.556 121.223 0.013 0.000 2.179 343 L HA -0.097 4.243 4.340 0.001 0.000 0.208 343 L C 2.520 179.400 176.870 0.016 0.000 1.096 343 L CA 0.647 55.496 54.840 0.015 0.000 0.779 343 L CB -0.244 41.824 42.059 0.016 0.000 0.922 343 L HN 0.123 nan 8.230 nan 0.000 0.443 344 R N 0.233 120.741 120.500 0.013 0.000 2.070 344 R HA -0.209 4.131 4.340 0.001 0.000 0.233 344 R C 2.247 178.555 176.300 0.015 0.000 1.137 344 R CA 1.816 57.924 56.100 0.014 0.000 0.945 344 R CB -0.095 30.212 30.300 0.010 0.000 0.845 344 R HN 0.282 nan 8.270 nan 0.000 0.430 345 E N 0.198 120.406 120.200 0.013 0.000 2.023 345 E HA -0.245 4.106 4.350 0.001 0.000 0.196 345 E C 1.962 178.573 176.600 0.018 0.000 1.003 345 E CA 1.676 58.084 56.400 0.014 0.000 0.809 345 E CB 0.117 29.824 29.700 0.012 0.000 0.755 345 E HN 0.348 nan 8.360 nan 0.000 0.449 346 Q N -0.413 119.398 119.800 0.019 0.000 2.369 346 Q HA -0.037 4.303 4.340 0.001 0.000 0.206 346 Q C 1.885 177.902 176.000 0.028 0.000 0.963 346 Q CA 0.595 56.411 55.803 0.023 0.000 0.894 346 Q CB 0.220 28.971 28.738 0.021 0.000 0.965 346 Q HN 0.329 nan 8.270 nan 0.000 0.475 347 L N -0.722 120.517 121.223 0.027 0.000 2.554 347 L HA 0.177 4.518 4.340 0.001 0.000 0.225 347 L C 2.228 179.118 176.870 0.032 0.000 1.104 347 L CA 0.101 54.962 54.840 0.034 0.000 0.866 347 L CB -0.278 41.802 42.059 0.034 0.000 1.047 347 L HN 0.129 nan 8.230 nan 0.000 0.468 348 A N 1.680 124.516 122.820 0.026 0.000 1.896 348 A HA -0.207 4.114 4.320 0.001 0.000 0.220 348 A C -0.102 177.496 177.584 0.024 0.000 1.206 348 A CA 2.194 54.245 52.037 0.023 0.000 0.647 348 A CB -1.956 17.056 19.000 0.019 0.000 0.828 348 A HN 0.261 nan 8.150 nan 0.000 0.455 349 P HA -0.139 nan 4.420 nan 0.000 0.218 349 P C 1.490 178.808 177.300 0.030 0.000 1.146 349 P CA 1.768 64.884 63.100 0.027 0.000 0.813 349 P CB -0.196 31.523 31.700 0.031 0.000 0.778 350 A N -0.074 122.769 122.820 0.037 0.000 2.070 350 A HA -0.184 4.136 4.320 0.001 0.000 0.220 350 A C 2.122 179.723 177.584 0.028 0.000 1.159 350 A CA 1.041 53.104 52.037 0.042 0.000 0.656 350 A CB -0.926 18.108 19.000 0.057 0.000 0.800 350 A HN 0.128 nan 8.150 nan 0.000 0.453 351 R N -0.150 120.364 120.500 0.023 0.000 2.241 351 R HA -0.082 4.258 4.340 0.001 0.000 0.224 351 R C 0.354 176.659 176.300 0.007 0.000 1.101 351 R CA 1.212 57.321 56.100 0.014 0.000 0.995 351 R CB -0.150 30.159 30.300 0.015 0.000 0.870 351 R HN 0.505 nan 8.270 nan 0.000 0.463 352 D N 0.187 120.592 120.400 0.008 0.000 2.367 352 D HA 0.090 4.730 4.640 0.001 0.000 0.207 352 D C 0.375 176.671 176.300 -0.007 0.000 1.034 352 D CA 0.155 54.156 54.000 0.001 0.000 0.861 352 D CB 0.355 41.158 40.800 0.005 0.000 0.943 352 D HN 0.108 nan 8.370 nan 0.000 0.515 353 A N 1.315 124.132 122.820 -0.005 0.000 2.407 353 A HA 0.154 4.475 4.320 0.001 0.000 0.248 353 A C 1.261 178.815 177.584 -0.051 0.000 1.082 353 A CA -0.258 51.767 52.037 -0.020 0.000 0.785 353 A CB 0.410 19.409 19.000 -0.002 0.000 1.020 353 A HN 0.111 nan 8.150 nan 0.000 0.489 354 E N 1.471 121.624 120.200 -0.078 0.000 2.358 354 E HA -0.104 4.247 4.350 0.001 0.000 0.195 354 E C 0.875 177.366 176.600 -0.181 0.000 1.010 354 E CA 0.732 57.066 56.400 -0.110 0.000 0.856 354 E CB -0.170 29.465 29.700 -0.109 0.000 0.795 354 E HN 0.566 nan 8.360 nan 0.000 0.504 355 M N 1.162 120.614 119.600 -0.247 0.000 2.541 355 M HA 0.136 4.616 4.480 0.001 0.000 0.252 355 M C 0.282 176.422 176.300 -0.267 0.000 1.125 355 M CA 0.206 55.242 55.300 -0.440 0.000 1.091 355 M CB 0.110 32.191 32.600 -0.866 0.000 1.420 355 M HN -0.070 nan 8.290 nan 0.000 0.486 356 V N 0.764 120.603 119.914 -0.126 0.000 2.583 356 V HA 0.373 4.493 4.120 0.001 0.000 0.287 356 V C 1.193 177.269 176.094 -0.030 0.000 1.051 356 V CA -0.033 62.239 62.300 -0.046 0.000 1.010 356 V CB 1.043 32.862 31.823 -0.006 0.000 0.988 356 V HN 0.361 nan 8.190 nan 0.000 0.478 357 A N 3.124 125.939 122.820 -0.008 0.000 2.167 357 A HA 0.419 4.740 4.320 0.001 0.000 0.208 357 A C 0.431 178.019 177.584 0.007 0.000 1.198 357 A CA 0.610 52.647 52.037 -0.001 0.000 0.863 357 A CB 0.189 19.190 19.000 0.003 0.000 0.904 357 A HN 0.834 nan 8.150 nan 0.000 0.484 358 D N -2.722 117.686 120.400 0.014 0.000 2.720 358 D HA 0.393 5.034 4.640 0.001 0.000 0.239 358 D C -1.914 174.401 176.300 0.025 0.000 1.218 358 D CA -0.134 53.877 54.000 0.018 0.000 0.748 358 D CB 1.588 42.398 40.800 0.018 0.000 1.387 358 D HN -0.020 nan 8.370 nan 0.000 0.438 359 V N 2.893 122.823 119.914 0.025 0.000 2.483 359 V HA 0.664 4.784 4.120 0.001 0.000 0.297 359 V C -0.607 175.502 176.094 0.024 0.000 1.027 359 V CA -0.618 61.699 62.300 0.029 0.000 0.855 359 V CB 1.543 33.384 31.823 0.029 0.000 0.995 359 V HN 0.593 nan 8.190 nan 0.000 0.424 360 R N 3.774 124.286 120.500 0.021 0.000 2.628 360 R HA 0.947 5.288 4.340 0.001 0.000 0.288 360 R C -1.885 174.419 176.300 0.007 0.000 0.980 360 R CA -0.829 55.278 56.100 0.013 0.000 0.891 360 R CB 2.363 32.668 30.300 0.008 0.000 1.188 360 R HN 0.322 nan 8.270 nan 0.000 0.450 361 V N 3.028 122.944 119.914 0.003 0.000 2.925 361 V HA 0.615 4.736 4.120 0.001 0.000 0.311 361 V C -1.365 174.723 176.094 -0.010 0.000 1.104 361 V CA -0.893 61.406 62.300 -0.001 0.000 0.954 361 V CB 2.135 33.962 31.823 0.007 0.000 1.022 361 V HN 0.709 nan 8.190 nan 0.000 0.427 362 L N 3.617 124.828 121.223 -0.020 0.000 2.676 362 L HA 0.762 5.103 4.340 0.001 0.000 0.262 362 L C 0.212 177.067 176.870 -0.024 0.000 0.932 362 L CA 1.296 56.123 54.840 -0.022 0.000 0.932 362 L CB 1.388 43.418 42.059 -0.049 0.000 1.355 362 L HN 1.177 nan 8.230 nan 0.000 0.421 363 G N 3.847 112.644 108.800 -0.005 0.000 2.611 363 G HA2 -0.120 3.841 3.960 0.001 0.000 0.301 363 G HA3 -0.120 3.841 3.960 0.001 0.000 0.301 363 G C 0.517 175.409 174.900 -0.013 0.000 1.233 363 G CA 0.340 45.434 45.100 -0.010 0.000 0.993 363 G HN 1.934 nan 8.290 nan 0.000 0.553 364 A N -0.112 122.702 122.820 -0.011 0.000 3.012 364 A HA 0.680 5.000 4.320 0.001 0.000 0.295 364 A C 0.388 177.991 177.584 0.031 0.000 1.338 364 A CA 0.034 52.093 52.037 0.036 0.000 0.981 364 A CB -0.411 18.658 19.000 0.114 0.000 1.091 364 A HN 0.706 nan 8.150 nan 0.000 0.602 365 I N 0.778 121.342 120.570 -0.010 0.000 2.420 365 I HA 0.409 4.580 4.170 0.001 0.000 0.282 365 I C 0.446 176.559 176.117 -0.008 0.000 1.019 365 I CA -0.441 60.838 61.300 -0.034 0.000 1.130 365 I CB 1.922 39.857 38.000 -0.109 0.000 1.262 365 I HN 0.280 nan 8.210 nan 0.000 0.454 366 G N 6.121 114.937 108.800 0.028 0.000 2.468 366 G HA2 0.597 4.558 3.960 0.001 0.000 0.315 366 G HA3 0.597 4.558 3.960 0.001 0.000 0.315 366 G C -0.810 174.133 174.900 0.071 0.000 1.203 366 G CA -0.311 44.810 45.100 0.035 0.000 0.962 366 G HN 0.301 nan 8.290 nan 0.000 0.476 367 V N 2.713 122.662 119.914 0.059 0.000 2.459 367 V HA 0.499 4.619 4.120 0.001 0.000 0.295 367 V C -0.285 175.855 176.094 0.076 0.000 1.029 367 V CA -0.747 61.607 62.300 0.090 0.000 0.874 367 V CB 1.930 33.773 31.823 0.035 0.000 0.985 367 V HN 0.475 nan 8.190 nan 0.000 0.438 368 V N 4.070 124.046 119.914 0.102 0.000 2.376 368 V HA 0.393 4.514 4.120 0.001 0.000 0.287 368 V C -0.058 176.095 176.094 0.098 0.000 1.015 368 V CA -0.519 61.836 62.300 0.092 0.000 0.834 368 V CB 1.554 33.441 31.823 0.107 0.000 1.001 368 V HN 0.960 nan 8.190 nan 0.000 0.428 369 E N 3.473 123.712 120.200 0.066 0.000 2.197 369 E HA 0.536 4.886 4.350 0.001 0.000 0.281 369 E C -0.085 176.548 176.600 0.054 0.000 0.995 369 E CA -0.413 56.018 56.400 0.051 0.000 0.808 369 E CB 1.412 31.124 29.700 0.020 0.000 1.093 369 E HN 0.805 nan 8.360 nan 0.000 0.394 370 T N 0.478 115.077 114.554 0.076 0.000 2.936 370 T HA 0.213 4.564 4.350 0.001 0.000 0.282 370 T C 1.259 175.982 174.700 0.038 0.000 1.003 370 T CA -0.116 62.018 62.100 0.057 0.000 1.005 370 T CB 1.452 70.422 68.868 0.170 0.000 1.097 370 T HN 0.526 nan 8.240 nan 0.000 0.532 371 T N -2.047 112.518 114.554 0.019 0.000 2.978 371 T HA 0.086 4.437 4.350 0.001 0.000 0.262 371 T C 0.322 175.125 174.700 0.171 0.000 1.063 371 T CA 0.674 62.840 62.100 0.111 0.000 1.140 371 T CB -0.486 68.480 68.868 0.165 0.000 0.886 371 T HN 0.734 nan 8.240 nan 0.000 0.470 372 H N 1.519 120.552 119.070 -0.061 0.000 2.621 372 H HA 0.573 5.129 4.556 0.001 0.000 0.360 372 H C -2.840 172.604 175.328 0.193 0.000 1.163 372 H CA -2.586 53.491 56.048 0.048 0.000 1.194 372 H CB 1.177 30.963 29.762 0.040 0.000 1.649 372 H HN 0.051 nan 8.280 nan 0.000 0.532 373 P HA 0.016 nan 4.420 nan 0.000 0.271 373 P C -0.149 177.305 177.300 0.257 0.000 1.216 373 P CA -0.390 62.821 63.100 0.185 0.000 0.776 373 P CB 0.554 32.310 31.700 0.093 0.000 0.881 374 V N 0.115 120.119 119.914 0.151 0.000 3.133 374 V HA 0.376 4.496 4.120 0.001 0.000 0.305 374 V C 0.358 176.435 176.094 -0.028 0.000 1.084 374 V CA -0.592 61.673 62.300 -0.058 0.000 1.089 374 V CB 0.563 32.301 31.823 -0.141 0.000 1.073 374 V HN 0.535 nan 8.190 nan 0.000 0.477 375 N N 3.422 122.068 118.700 -0.089 0.000 2.589 375 N HA 0.305 5.045 4.740 0.001 0.000 0.232 375 N C 0.594 176.076 175.510 -0.047 0.000 1.015 375 N CA -0.524 52.511 53.050 -0.025 0.000 0.931 375 N CB 0.836 39.323 38.487 0.001 0.000 1.150 375 N HN 0.779 nan 8.380 nan 0.000 0.512 376 M N 1.613 121.209 119.600 -0.006 0.000 2.080 376 M HA -0.172 4.309 4.480 0.001 0.000 0.260 376 M C 1.844 178.139 176.300 -0.008 0.000 1.068 376 M CA 1.673 56.973 55.300 -0.000 0.000 1.109 376 M CB -1.248 31.387 32.600 0.059 0.000 1.342 376 M HN 0.632 nan 8.290 nan 0.000 0.405 377 A N 0.620 123.454 122.820 0.023 0.000 1.851 377 A HA -0.086 4.234 4.320 0.001 0.000 0.216 377 A C 2.458 180.055 177.584 0.022 0.000 1.195 377 A CA 2.625 54.686 52.037 0.040 0.000 0.622 377 A CB -1.154 17.870 19.000 0.040 0.000 0.831 377 A HN 0.520 nan 8.150 nan 0.000 0.444 378 A N -1.228 121.602 122.820 0.018 0.000 1.933 378 A HA 0.019 4.339 4.320 0.001 0.000 0.218 378 A C 2.121 179.593 177.584 -0.186 0.000 1.175 378 A CA 1.757 53.816 52.037 0.037 0.000 0.628 378 A CB -0.514 18.583 19.000 0.163 0.000 0.814 378 A HN 0.568 nan 8.150 nan 0.000 0.444 379 L N -0.577 120.463 121.223 -0.306 0.000 2.044 379 L HA -0.103 4.238 4.340 0.001 0.000 0.205 379 L C 2.446 178.949 176.870 -0.611 0.000 1.075 379 L CA 2.486 56.908 54.840 -0.696 0.000 0.747 379 L CB -1.041 40.695 42.059 -0.538 0.000 0.903 379 L HN 0.484 nan 8.230 nan 0.000 0.435 380 Q N 0.102 119.746 119.800 -0.260 0.000 2.077 380 Q HA -0.304 4.036 4.340 0.001 0.000 0.206 380 Q C 2.337 178.235 176.000 -0.170 0.000 0.989 380 Q CA 2.514 58.216 55.803 -0.169 0.000 0.853 380 Q CB -0.256 28.454 28.738 -0.048 0.000 0.907 380 Q HN 0.500 nan 8.270 nan 0.000 0.418 381 K N -1.018 119.346 120.400 -0.061 0.000 2.032 381 K HA -0.192 4.128 4.320 0.001 0.000 0.209 381 K C 1.866 178.405 176.600 -0.102 0.000 1.048 381 K CA 1.533 57.834 56.287 0.025 0.000 0.927 381 K CB -0.544 32.020 32.500 0.106 0.000 0.712 381 K HN 0.292 nan 8.250 nan 0.000 0.441 382 F N 0.652 120.346 119.950 -0.427 0.000 2.095 382 F HA -0.167 4.360 4.527 0.001 0.000 0.298 382 F C 1.468 177.028 175.800 -0.401 0.000 1.104 382 F CA 1.456 59.137 58.000 -0.531 0.000 1.232 382 F CB -0.400 37.881 39.000 -1.198 0.000 0.987 382 F HN -0.006 nan 8.300 nan 0.000 0.475 383 F N 0.214 119.857 119.950 -0.512 0.000 2.134 383 F HA -0.157 4.370 4.527 0.000 0.000 0.299 383 F C 2.494 178.039 175.800 -0.424 0.000 1.097 383 F CA 1.358 59.032 58.000 -0.543 0.000 1.264 383 F CB -1.584 37.167 39.000 -0.416 0.000 1.001 383 F HN -0.180 nan 8.300 nan 0.000 0.479 384 V N 0.034 119.834 119.914 -0.190 0.000 2.332 384 V HA -0.288 3.833 4.120 0.001 0.000 0.248 384 V C 2.120 178.121 176.094 -0.154 0.000 1.055 384 V CA 2.017 64.202 62.300 -0.190 0.000 1.038 384 V CB -0.719 30.884 31.823 -0.368 0.000 0.651 384 V HN 0.330 nan 8.190 nan 0.000 0.450 385 E N -0.291 119.805 120.200 -0.173 0.000 2.265 385 E HA -0.200 4.151 4.350 0.001 0.000 0.196 385 E C 2.078 178.569 176.600 -0.181 0.000 0.996 385 E CA 0.785 57.104 56.400 -0.136 0.000 0.832 385 E CB -0.072 29.577 29.700 -0.085 0.000 0.756 385 E HN 0.582 nan 8.360 nan 0.000 0.491 386 Q N -0.716 118.908 119.800 -0.292 0.000 2.444 386 Q HA 0.058 4.399 4.340 0.001 0.000 0.206 386 Q C 1.078 176.999 176.000 -0.132 0.000 0.948 386 Q CA 0.768 56.428 55.803 -0.237 0.000 0.946 386 Q CB 0.902 29.441 28.738 -0.331 0.000 1.027 386 Q HN 0.374 nan 8.270 nan 0.000 0.513 387 G N 0.945 109.680 108.800 -0.108 0.000 2.160 387 G HA2 -0.236 3.724 3.960 0.001 0.000 0.244 387 G HA3 -0.236 3.724 3.960 0.001 0.000 0.244 387 G C 0.136 175.002 174.900 -0.055 0.000 1.022 387 G CA 0.401 45.461 45.100 -0.068 0.000 0.741 387 G HN 0.381 nan 8.290 nan 0.000 0.508 388 V N -4.179 115.697 119.914 -0.064 0.000 2.962 388 V HA 0.882 5.002 4.120 0.001 0.000 0.313 388 V C -0.202 175.885 176.094 -0.012 0.000 1.099 388 V CA -1.602 60.663 62.300 -0.058 0.000 0.971 388 V CB 2.255 33.997 31.823 -0.134 0.000 1.028 388 V HN 0.727 nan 8.190 nan 0.000 0.430 389 W N 5.361 126.536 121.300 -0.207 0.000 2.336 389 W HA 0.777 5.437 4.660 0.001 0.000 0.315 389 W C -2.045 174.317 176.519 -0.261 0.000 1.016 389 W CA -0.780 56.432 57.345 -0.221 0.000 1.318 389 W CB 1.396 30.738 29.460 -0.197 0.000 1.247 389 W HN 0.645 nan 8.180 nan 0.000 0.414 390 I N 6.041 126.039 120.570 -0.953 0.000 2.533 390 I HA 0.364 4.534 4.170 0.001 0.000 0.290 390 I C -0.094 175.469 176.117 -0.924 0.000 1.056 390 I CA -0.950 59.808 61.300 -0.903 0.000 1.057 390 I CB 2.684 39.996 38.000 -1.146 0.000 1.240 390 I HN 0.263 nan 8.210 nan 0.000 0.423 391 R N 7.691 127.766 120.500 -0.710 0.000 2.312 391 R HA 0.453 4.794 4.340 0.001 0.000 0.310 391 R C -2.592 173.607 176.300 -0.168 0.000 1.064 391 R CA -1.518 54.316 56.100 -0.443 0.000 0.983 391 R CB 1.186 31.271 30.300 -0.359 0.000 1.139 391 R HN 0.266 nan 8.270 nan 0.000 0.536 392 P HA 0.119 nan 4.420 nan 0.000 0.274 392 P C -0.892 176.621 177.300 0.354 0.000 1.264 392 P CA -0.001 63.176 63.100 0.128 0.000 0.795 392 P CB 0.345 32.125 31.700 0.134 0.000 1.064 393 F N -2.374 117.675 119.950 0.164 0.000 2.656 393 F HA 0.430 4.958 4.527 0.001 0.000 0.317 393 F C 0.182 176.066 175.800 0.140 0.000 1.016 393 F CA 0.554 58.652 58.000 0.163 0.000 1.097 393 F CB 0.190 39.333 39.000 0.238 0.000 1.360 393 F HN 0.773 nan 8.300 nan 0.000 0.593 394 G N 5.441 114.144 108.800 -0.162 0.000 2.601 394 G HA2 -0.349 3.611 3.960 0.001 0.000 0.306 394 G HA3 -0.349 3.611 3.960 0.001 0.000 0.306 394 G C 0.447 175.284 174.900 -0.104 0.000 1.172 394 G CA 0.556 45.525 45.100 -0.218 0.000 0.966 394 G HN 0.911 nan 8.290 nan 0.000 0.542 395 K N 0.341 120.648 120.400 -0.154 0.000 2.514 395 K HA 0.489 4.809 4.320 0.001 0.000 0.207 395 K C -0.160 176.439 176.600 -0.002 0.000 1.035 395 K CA -0.123 56.159 56.287 -0.008 0.000 1.113 395 K CB 0.286 32.779 32.500 -0.011 0.000 0.846 395 K HN 0.325 nan 8.250 nan 0.000 0.491 396 L N 1.439 122.625 121.223 -0.062 0.000 2.333 396 L HA 0.515 4.855 4.340 0.001 0.000 0.280 396 L C -0.403 176.604 176.870 0.228 0.000 1.004 396 L CA -0.720 54.163 54.840 0.071 0.000 0.820 396 L CB 1.815 43.888 42.059 0.023 0.000 1.247 396 L HN -0.022 nan 8.230 nan 0.000 0.416 397 I N 4.219 124.922 120.570 0.220 0.000 2.460 397 I HA 0.260 4.430 4.170 0.001 0.000 0.277 397 I C -0.834 175.367 176.117 0.140 0.000 1.057 397 I CA -0.593 60.800 61.300 0.154 0.000 1.179 397 I CB 0.310 38.418 38.000 0.180 0.000 1.329 397 I HN 0.483 nan 8.210 nan 0.000 0.478 398 Y N 5.142 125.460 120.300 0.030 0.000 2.509 398 Y HA 0.860 5.410 4.550 0.000 0.000 0.341 398 Y C -1.305 174.576 175.900 -0.032 0.000 1.038 398 Y CA -1.524 56.576 58.100 0.001 0.000 1.089 398 Y CB 1.103 39.572 38.460 0.016 0.000 1.241 398 Y HN 0.180 nan 8.280 nan 0.000 0.468 399 L N 4.051 125.282 121.223 0.014 0.000 2.346 399 L HA 0.576 4.917 4.340 0.001 0.000 0.276 399 L C -0.527 176.384 176.870 0.067 0.000 1.006 399 L CA -0.841 53.969 54.840 -0.049 0.000 0.817 399 L CB 1.882 43.910 42.059 -0.051 0.000 1.272 399 L HN 0.805 nan 8.230 nan 0.000 0.421 400 M N 4.848 124.494 119.600 0.077 0.000 2.850 400 M HA 0.248 4.729 4.480 0.001 0.000 0.288 400 M C -2.641 173.739 176.300 0.134 0.000 1.450 400 M CA -1.238 54.125 55.300 0.104 0.000 0.555 400 M CB 1.618 34.252 32.600 0.056 0.000 1.507 400 M HN 0.218 nan 8.290 nan 0.000 0.415 401 P HA 0.392 nan 4.420 nan 0.000 0.276 401 P C -2.818 174.541 177.300 0.098 0.000 1.252 401 P CA -1.415 61.743 63.100 0.097 0.000 0.802 401 P CB -0.206 31.541 31.700 0.077 0.000 1.035 402 P HA -0.014 nan 4.420 nan 0.000 0.267 402 P C 0.684 178.049 177.300 0.109 0.000 1.200 402 P CA 0.379 63.440 63.100 -0.065 0.000 0.772 402 P CB -0.144 31.521 31.700 -0.057 0.000 0.855 403 Y N 2.040 122.344 120.300 0.007 0.000 2.333 403 Y HA -0.083 4.468 4.550 0.001 0.000 0.290 403 Y C 1.780 177.721 175.900 0.069 0.000 1.144 403 Y CA 0.785 58.914 58.100 0.048 0.000 1.228 403 Y CB -1.321 37.181 38.460 0.069 0.000 0.985 403 Y HN 0.319 nan 8.280 nan 0.000 0.542 404 I N -2.068 118.629 120.570 0.212 0.000 3.858 404 I HA 0.232 4.403 4.170 0.001 0.000 0.325 404 I C 0.596 176.782 176.117 0.116 0.000 1.403 404 I CA -0.249 61.148 61.300 0.163 0.000 1.169 404 I CB -0.342 37.759 38.000 0.169 0.000 1.077 404 I HN -0.087 nan 8.210 nan 0.000 0.403 405 I N 2.331 122.966 120.570 0.109 0.000 2.813 405 I HA 0.072 4.242 4.170 0.001 0.000 0.287 405 I C 0.049 176.206 176.117 0.067 0.000 1.196 405 I CA -0.062 61.287 61.300 0.082 0.000 1.421 405 I CB 0.701 38.748 38.000 0.078 0.000 1.365 405 I HN 0.213 nan 8.210 nan 0.000 0.591 406 L N 8.318 129.572 121.223 0.052 0.000 2.436 406 L HA 0.248 4.589 4.340 0.001 0.000 0.265 406 L C -1.573 175.317 176.870 0.033 0.000 1.168 406 L CA -1.382 53.482 54.840 0.040 0.000 0.815 406 L CB 0.049 42.127 42.059 0.032 0.000 1.109 406 L HN 0.508 nan 8.230 nan 0.000 0.462 407 P HA -0.218 nan 4.420 nan 0.000 0.216 407 P C 1.269 178.580 177.300 0.018 0.000 1.150 407 P CA 0.977 64.090 63.100 0.023 0.000 0.837 407 P CB 0.050 31.762 31.700 0.019 0.000 0.786 408 Q N 0.123 119.933 119.800 0.016 0.000 2.170 408 Q HA -0.221 4.119 4.340 0.001 0.000 0.203 408 Q C 1.935 177.942 176.000 0.010 0.000 0.976 408 Q CA 1.537 57.348 55.803 0.013 0.000 0.858 408 Q CB -0.447 28.298 28.738 0.011 0.000 0.907 408 Q HN 0.333 nan 8.270 nan 0.000 0.433 409 Q N -0.144 119.664 119.800 0.014 0.000 2.137 409 Q HA -0.069 4.271 4.340 0.001 0.000 0.198 409 Q C 2.096 178.100 176.000 0.008 0.000 0.960 409 Q CA 0.624 56.434 55.803 0.012 0.000 0.847 409 Q CB 0.058 28.810 28.738 0.023 0.000 0.915 409 Q HN 0.285 nan 8.270 nan 0.000 0.448 410 L N 1.322 122.553 121.223 0.014 0.000 2.093 410 L HA -0.168 4.172 4.340 0.001 0.000 0.208 410 L C 2.042 178.913 176.870 0.003 0.000 1.085 410 L CA 1.807 56.653 54.840 0.010 0.000 0.755 410 L CB -0.805 41.266 42.059 0.020 0.000 0.904 410 L HN 0.252 nan 8.230 nan 0.000 0.435 411 Q N -0.853 118.951 119.800 0.007 0.000 2.050 411 Q HA -0.214 4.126 4.340 0.001 0.000 0.202 411 Q C 2.246 178.248 176.000 0.003 0.000 0.980 411 Q CA 1.708 57.516 55.803 0.008 0.000 0.840 411 Q CB -0.058 28.687 28.738 0.012 0.000 0.898 411 Q HN 0.475 nan 8.270 nan 0.000 0.424 412 R N 0.187 120.685 120.500 -0.004 0.000 2.105 412 R HA -0.137 4.203 4.340 0.001 0.000 0.239 412 R C 2.313 178.595 176.300 -0.031 0.000 1.135 412 R CA 1.052 57.145 56.100 -0.013 0.000 0.967 412 R CB -0.319 29.968 30.300 -0.020 0.000 0.861 412 R HN 0.237 nan 8.270 nan 0.000 0.442 413 L N 0.006 121.201 121.223 -0.047 0.000 1.976 413 L HA -0.196 4.145 4.340 0.001 0.000 0.209 413 L C 2.830 179.661 176.870 -0.066 0.000 1.071 413 L CA 1.947 56.731 54.840 -0.095 0.000 0.746 413 L CB -1.084 40.917 42.059 -0.096 0.000 0.890 413 L HN 0.377 nan 8.230 nan 0.000 0.432 414 T N -2.146 112.393 114.554 -0.026 0.000 2.720 414 T HA -0.186 4.165 4.350 0.001 0.000 0.268 414 T C 1.940 176.663 174.700 0.038 0.000 1.037 414 T CA 1.081 63.184 62.100 0.005 0.000 1.144 414 T CB -0.520 68.356 68.868 0.013 0.000 0.864 414 T HN 0.319 nan 8.240 nan 0.000 0.444 415 A N 2.121 124.964 122.820 0.038 0.000 1.883 415 A HA 0.268 4.588 4.320 0.001 0.000 0.217 415 A C 2.875 180.529 177.584 0.116 0.000 1.186 415 A CA 2.175 54.252 52.037 0.067 0.000 0.624 415 A CB -1.488 17.541 19.000 0.049 0.000 0.822 415 A HN 0.820 nan 8.150 nan 0.000 0.444 416 A N -0.719 122.162 122.820 0.102 0.000 1.933 416 A HA 0.029 4.350 4.320 0.001 0.000 0.218 416 A C 2.226 180.047 177.584 0.394 0.000 1.175 416 A CA 1.717 53.881 52.037 0.211 0.000 0.628 416 A CB -0.884 18.181 19.000 0.108 0.000 0.814 416 A HN 0.388 nan 8.150 nan 0.000 0.444 417 V N 0.997 121.036 119.914 0.209 0.000 2.343 417 V HA -0.259 3.861 4.120 0.001 0.000 0.247 417 V C 2.329 178.572 176.094 0.248 0.000 1.051 417 V CA 2.089 64.530 62.300 0.235 0.000 1.036 417 V CB -0.897 30.966 31.823 0.067 0.000 0.654 417 V HN 0.562 nan 8.190 nan 0.000 0.451 418 N N -0.052 118.755 118.700 0.179 0.000 2.166 418 N HA -0.168 4.572 4.740 0.001 0.000 0.186 418 N C 2.041 177.657 175.510 0.177 0.000 1.019 418 N CA 1.417 54.557 53.050 0.150 0.000 0.856 418 N CB -0.292 38.259 38.487 0.106 0.000 0.993 418 N HN 0.432 nan 8.380 nan 0.000 0.426 419 R N 0.755 121.395 120.500 0.233 0.000 2.066 419 R HA 0.017 4.357 4.340 0.001 0.000 0.232 419 R C 2.138 178.563 176.300 0.209 0.000 1.131 419 R CA 1.219 57.466 56.100 0.245 0.000 0.955 419 R CB -0.195 30.323 30.300 0.363 0.000 0.851 419 R HN 0.141 nan 8.270 nan 0.000 0.432 420 A N 0.448 123.449 122.820 0.302 0.000 1.948 420 A HA -0.148 4.173 4.320 0.001 0.000 0.220 420 A C 1.951 179.702 177.584 0.279 0.000 1.177 420 A CA 1.829 53.965 52.037 0.165 0.000 0.636 420 A CB -0.536 18.610 19.000 0.243 0.000 0.815 420 A HN 0.346 nan 8.150 nan 0.000 0.449 421 V N -3.311 116.773 119.914 0.284 0.000 3.577 421 V HA 0.061 4.181 4.120 0.001 0.000 0.294 421 V C 1.499 177.666 176.094 0.121 0.000 1.317 421 V CA 0.638 63.108 62.300 0.283 0.000 1.169 421 V CB -0.319 31.631 31.823 0.212 0.000 1.011 421 V HN 0.379 nan 8.190 nan 0.000 0.426 422 Q N 2.723 122.579 119.800 0.093 0.000 2.124 422 Q HA 0.010 4.351 4.340 0.001 0.000 0.202 422 Q C 0.653 176.639 176.000 -0.024 0.000 0.977 422 Q CA 1.962 57.779 55.803 0.024 0.000 0.850 422 Q CB -0.060 28.689 28.738 0.019 0.000 0.901 422 Q HN 1.091 nan 8.270 nan 0.000 0.429 423 D N -2.864 117.522 120.400 -0.024 0.000 2.825 423 D HA 0.059 4.700 4.640 0.001 0.000 0.327 423 D C 0.002 176.286 176.300 -0.027 0.000 1.277 423 D CA -0.494 53.461 54.000 -0.076 0.000 0.950 423 D CB 0.018 40.758 40.800 -0.101 0.000 1.438 423 D HN -0.075 nan 8.370 nan 0.000 0.526 424 E N -0.745 119.410 120.200 -0.075 0.000 2.482 424 E HA -0.047 4.303 4.350 0.001 0.000 0.196 424 E C 0.960 177.570 176.600 0.016 0.000 1.047 424 E CA 0.545 56.954 56.400 0.014 0.000 0.869 424 E CB -0.550 29.092 29.700 -0.096 0.000 0.836 424 E HN 0.409 nan 8.360 nan 0.000 0.520 425 T N 1.645 116.075 114.554 -0.205 0.000 2.567 425 T HA -0.235 4.115 4.350 0.001 0.000 0.261 425 T C 0.898 175.285 174.700 -0.521 0.000 1.123 425 T CA 1.779 63.579 62.100 -0.499 0.000 1.166 425 T CB -0.395 67.902 68.868 -0.952 0.000 0.860 425 T HN 0.248 nan 8.240 nan 0.000 0.436 426 F N 0.146 119.995 119.950 -0.168 0.000 2.731 426 F HA 0.393 4.920 4.527 0.001 0.000 0.304 426 F C 0.215 175.692 175.800 -0.539 0.000 1.133 426 F CA -0.973 56.799 58.000 -0.380 0.000 1.380 426 F CB -0.800 37.855 39.000 -0.576 0.000 1.079 426 F HN 0.052 nan 8.300 nan 0.000 0.550 427 F N -1.689 118.271 119.950 0.017 0.000 2.470 427 F HA 0.551 5.079 4.527 0.001 0.000 0.329 427 F C 0.836 176.665 175.800 0.048 0.000 1.072 427 F CA -0.983 57.041 58.000 0.039 0.000 0.989 427 F CB 0.996 39.993 39.000 -0.005 0.000 1.193 427 F HN -0.132 nan 8.300 nan 0.000 0.481 428 C N 0.000 119.469 119.300 0.281 0.000 2.653 428 C HA 0.000 4.460 4.460 0.001 0.000 0.325 428 C CA 0.000 59.134 59.018 0.193 0.000 1.963 428 C CB 0.000 27.853 27.740 0.188 0.000 2.134 428 C HN 0.000 nan 8.230 nan 0.000 0.568