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 3ifg_1_B DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.874 174.900 -0.044 0.000 0.946 3 G CA 0.000 45.068 45.100 -0.054 0.000 0.502 4 S N 0.128 115.800 115.700 -0.047 0.000 2.582 4 S HA 0.605 5.075 4.470 -0.000 0.000 0.234 4 S C 0.532 175.111 174.600 -0.034 0.000 0.961 4 S CA -0.325 57.855 58.200 -0.035 0.000 0.953 4 S CB 0.036 63.218 63.200 -0.030 0.000 0.800 4 S HN 0.239 nan 8.310 nan 0.000 0.471 5 M N 0.817 120.392 119.600 -0.041 0.000 2.578 5 M HA 0.477 4.957 4.480 -0.000 0.000 0.321 5 M C 0.671 176.954 176.300 -0.028 0.000 1.182 5 M CA -0.689 54.589 55.300 -0.037 0.000 0.965 5 M CB 1.827 34.395 32.600 -0.052 0.000 1.694 5 M HN -0.159 nan 8.290 nan 0.000 0.461 6 K N 0.279 120.669 120.400 -0.018 0.000 2.211 6 K HA -0.092 4.228 4.320 -0.000 0.000 0.203 6 K C -0.225 176.369 176.600 -0.009 0.000 1.050 6 K CA 1.058 57.339 56.287 -0.011 0.000 0.945 6 K CB 0.056 32.554 32.500 -0.004 0.000 0.732 6 K HN 0.426 nan 8.250 nan 0.000 0.451 7 D N -0.903 119.489 120.400 -0.012 0.000 2.330 7 D HA 0.121 4.761 4.640 -0.000 0.000 0.249 7 D C -2.290 173.984 176.300 -0.043 0.000 1.306 7 D CA -2.160 51.834 54.000 -0.009 0.000 0.956 7 D CB 1.251 42.067 40.800 0.027 0.000 1.261 7 D HN -0.183 nan 8.370 nan 0.000 0.544 8 P HA -0.062 nan 4.420 nan 0.000 0.234 8 P C 0.943 178.138 177.300 -0.176 0.000 1.167 8 P CA 0.404 63.437 63.100 -0.112 0.000 0.763 8 P CB 0.092 31.737 31.700 -0.092 0.000 0.835 9 S N -1.210 114.386 115.700 -0.174 0.000 2.607 9 S HA 0.044 4.514 4.470 -0.000 0.000 0.224 9 S C 1.750 176.017 174.600 -0.556 0.000 0.969 9 S CA 0.086 58.087 58.200 -0.332 0.000 0.927 9 S CB -1.215 61.849 63.200 -0.225 0.000 0.772 9 S HN 0.095 nan 8.310 nan 0.000 0.533 10 L N 0.035 121.076 121.223 -0.304 0.000 2.240 10 L HA 0.295 4.635 4.340 -0.000 0.000 0.211 10 L C 0.774 177.456 176.870 -0.314 0.000 1.106 10 L CA 0.172 54.870 54.840 -0.237 0.000 0.793 10 L CB -0.173 41.864 42.059 -0.036 0.000 0.927 10 L HN 0.335 nan 8.230 nan 0.000 0.446 11 L N 1.723 122.720 121.223 -0.376 0.000 2.325 11 L HA 0.189 4.529 4.340 -0.000 0.000 0.284 11 L C -0.097 176.386 176.870 -0.646 0.000 1.089 11 L CA 0.297 54.820 54.840 -0.528 0.000 0.836 11 L CB 0.032 41.745 42.059 -0.577 0.000 1.184 11 L HN 0.010 nan 8.230 nan 0.000 0.444 12 R N 4.570 124.741 120.500 -0.548 0.000 2.514 12 R HA 0.386 4.726 4.340 -0.000 0.000 0.301 12 R C -0.238 175.831 176.300 -0.385 0.000 0.962 12 R CA -0.545 55.255 56.100 -0.500 0.000 0.882 12 R CB 1.142 31.204 30.300 -0.395 0.000 1.143 12 R HN 0.628 nan 8.270 nan 0.000 0.452 13 H N 0.869 119.934 119.070 -0.009 0.000 2.581 13 H HA 0.276 4.832 4.556 -0.000 0.000 0.275 13 H C -0.248 175.113 175.328 0.054 0.000 1.126 13 H CA -0.061 56.022 56.048 0.059 0.000 1.097 13 H CB 1.352 31.113 29.762 -0.001 0.000 1.626 13 H HN 0.407 nan 8.280 nan 0.000 0.565 14 Q N 0.242 120.157 119.800 0.193 0.000 2.413 14 Q HA 0.687 5.027 4.340 -0.000 0.000 0.276 14 Q C -0.503 175.741 176.000 0.406 0.000 1.099 14 Q CA -0.959 55.012 55.803 0.279 0.000 0.814 14 Q CB 3.035 31.985 28.738 0.353 0.000 1.379 14 Q HN 0.229 nan 8.270 nan 0.000 0.436 15 A N 0.835 123.813 122.820 0.263 0.000 2.272 15 A HA 0.374 4.694 4.320 -0.000 0.000 0.275 15 A C -1.465 176.173 177.584 0.090 0.000 1.096 15 A CA -0.045 52.102 52.037 0.184 0.000 0.822 15 A CB 0.335 19.385 19.000 0.083 0.000 1.088 15 A HN 0.676 nan 8.150 nan 0.000 0.495 16 Y N 1.377 121.490 120.300 -0.311 0.000 2.464 16 Y HA 0.477 5.027 4.550 -0.000 0.000 0.326 16 Y C -0.877 174.807 175.900 -0.360 0.000 0.969 16 Y CA -1.213 56.501 58.100 -0.644 0.000 1.270 16 Y CB 0.743 38.619 38.460 -0.973 0.000 1.103 16 Y HN 0.373 nan 8.280 nan 0.000 0.491 17 I N 5.234 125.514 120.570 -0.483 0.000 2.382 17 I HA 0.321 4.491 4.170 -0.000 0.000 0.285 17 I C 1.007 176.863 176.117 -0.434 0.000 1.007 17 I CA -0.461 60.630 61.300 -0.349 0.000 1.142 17 I CB 0.874 38.766 38.000 -0.180 0.000 1.289 17 I HN 0.880 nan 8.210 nan 0.000 0.453 18 G N 4.802 113.356 108.800 -0.410 0.000 2.249 18 G HA2 -0.143 3.816 3.960 -0.000 0.000 0.273 18 G HA3 -0.143 3.816 3.960 -0.000 0.000 0.273 18 G C 1.010 175.647 174.900 -0.439 0.000 1.036 18 G CA 0.762 45.657 45.100 -0.341 0.000 0.824 18 G HN 1.561 nan 8.290 nan 0.000 0.504 19 G N -1.883 106.423 108.800 -0.823 0.000 2.194 19 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.236 19 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.236 19 G C 0.047 174.503 174.900 -0.740 0.000 0.987 19 G CA 0.888 45.515 45.100 -0.788 0.000 0.635 19 G HN 1.044 nan 8.290 nan 0.000 0.520 20 E N -0.606 119.181 120.200 -0.688 0.000 2.191 20 E HA 0.591 4.940 4.350 -0.000 0.000 0.274 20 E C -0.538 175.853 176.600 -0.350 0.000 0.948 20 E CA -0.780 55.422 56.400 -0.330 0.000 0.802 20 E CB 0.644 30.260 29.700 -0.140 0.000 1.137 20 E HN 0.305 nan 8.360 nan 0.000 0.397 21 W N 2.390 123.740 121.300 0.083 0.000 2.304 21 W HA 0.306 4.966 4.660 -0.000 0.000 0.313 21 W C 0.176 176.727 176.519 0.054 0.000 1.323 21 W CA -0.054 57.373 57.345 0.137 0.000 1.223 21 W CB 0.676 30.237 29.460 0.169 0.000 1.237 21 W HN 0.280 nan 8.180 nan 0.000 0.535 22 Q N 1.771 121.718 119.800 0.244 0.000 2.418 22 Q HA 0.690 5.030 4.340 -0.000 0.000 0.282 22 Q C -0.622 175.453 176.000 0.125 0.000 1.044 22 Q CA -1.023 54.859 55.803 0.130 0.000 0.813 22 Q CB 2.453 31.215 28.738 0.040 0.000 1.428 22 Q HN 0.550 nan 8.270 nan 0.000 0.402 23 A N 0.806 123.677 122.820 0.086 0.000 2.252 23 A HA 0.840 5.159 4.320 -0.000 0.000 0.305 23 A C -0.306 177.306 177.584 0.047 0.000 1.097 23 A CA -0.060 52.017 52.037 0.065 0.000 0.849 23 A CB 0.460 19.490 19.000 0.050 0.000 1.142 23 A HN 0.766 nan 8.150 nan 0.000 0.499 24 A N -0.119 122.726 122.820 0.041 0.000 2.507 24 A HA 0.286 4.606 4.320 -0.000 0.000 0.235 24 A C 0.589 178.191 177.584 0.030 0.000 1.070 24 A CA 0.314 52.374 52.037 0.038 0.000 0.768 24 A CB -0.174 18.854 19.000 0.046 0.000 1.011 24 A HN 0.772 nan 8.150 nan 0.000 0.502 25 D N 0.598 121.013 120.400 0.024 0.000 2.218 25 D HA -0.119 4.521 4.640 -0.000 0.000 0.204 25 D C 2.104 178.415 176.300 0.019 0.000 0.976 25 D CA 2.107 56.118 54.000 0.018 0.000 0.853 25 D CB -0.028 40.780 40.800 0.013 0.000 0.939 25 D HN 0.629 nan 8.370 nan 0.000 0.481 26 S N -1.194 114.520 115.700 0.023 0.000 2.535 26 S HA 0.020 4.490 4.470 -0.000 0.000 0.214 26 S C 0.541 175.155 174.600 0.024 0.000 0.980 26 S CA 0.022 58.235 58.200 0.023 0.000 0.907 26 S CB 0.637 63.852 63.200 0.026 0.000 0.790 26 S HN -0.010 nan 8.310 nan 0.000 0.510 27 D N 0.624 121.040 120.400 0.026 0.000 3.028 27 D HA -0.133 4.507 4.640 -0.000 0.000 0.207 27 D C 0.342 176.658 176.300 0.027 0.000 1.100 27 D CA 1.018 55.032 54.000 0.023 0.000 0.995 27 D CB -1.635 39.176 40.800 0.017 0.000 1.108 27 D HN 0.736 nan 8.370 nan 0.000 0.421 28 A N 0.715 123.557 122.820 0.038 0.000 2.498 28 A HA 0.455 4.775 4.320 -0.000 0.000 0.239 28 A C 0.990 178.608 177.584 0.056 0.000 1.068 28 A CA 1.255 53.324 52.037 0.054 0.000 0.766 28 A CB 0.466 19.508 19.000 0.069 0.000 1.003 28 A HN 0.359 nan 8.150 nan 0.000 0.497 29 T N -0.283 114.304 114.554 0.055 0.000 2.900 29 T HA 0.721 5.071 4.350 -0.000 0.000 0.303 29 T C -0.522 174.225 174.700 0.079 0.000 1.142 29 T CA -0.565 61.536 62.100 0.002 0.000 1.007 29 T CB 1.129 69.960 68.868 -0.062 0.000 1.156 29 T HN 1.243 nan 8.240 nan 0.000 0.490 30 F N -0.461 119.485 119.950 -0.007 0.000 2.594 30 F HA 0.894 5.421 4.527 -0.000 0.000 0.335 30 F C -0.114 175.651 175.800 -0.058 0.000 1.058 30 F CA -1.344 56.647 58.000 -0.014 0.000 0.981 30 F CB 1.215 40.212 39.000 -0.004 0.000 1.289 30 F HN 0.754 nan 8.300 nan 0.000 0.490 31 E N 0.545 120.813 120.200 0.113 0.000 2.222 31 E HA 0.654 5.004 4.350 -0.000 0.000 0.272 31 E C -1.636 174.803 176.600 -0.268 0.000 0.982 31 E CA -1.071 55.209 56.400 -0.201 0.000 0.842 31 E CB 2.169 31.685 29.700 -0.306 0.000 1.144 31 E HN 0.590 nan 8.360 nan 0.000 0.397 32 V N 3.889 123.521 119.914 -0.470 0.000 2.487 32 V HA 0.422 4.542 4.120 -0.000 0.000 0.298 32 V C -0.962 174.876 176.094 -0.426 0.000 1.028 32 V CA -0.713 61.406 62.300 -0.303 0.000 0.860 32 V CB 0.895 32.591 31.823 -0.211 0.000 0.991 32 V HN 0.520 nan 8.190 nan 0.000 0.427 33 F N 1.524 121.512 119.950 0.063 0.000 2.492 33 F HA 0.449 4.976 4.527 -0.000 0.000 0.327 33 F C 0.481 176.293 175.800 0.019 0.000 1.079 33 F CA -0.825 57.200 58.000 0.043 0.000 0.967 33 F CB 1.179 40.192 39.000 0.022 0.000 1.169 33 F HN 0.447 nan 8.300 nan 0.000 0.472 34 D N 4.294 124.806 120.400 0.187 0.000 2.401 34 D HA 0.071 4.711 4.640 -0.000 0.000 0.254 34 D C -1.617 174.688 176.300 0.008 0.000 1.192 34 D CA -1.708 52.337 54.000 0.075 0.000 0.885 34 D CB 1.455 42.281 40.800 0.043 0.000 1.147 34 D HN 0.181 nan 8.370 nan 0.000 0.478 35 P HA -0.036 nan 4.420 nan 0.000 0.226 35 P C 0.701 177.876 177.300 -0.209 0.000 1.153 35 P CA 0.520 63.553 63.100 -0.112 0.000 0.777 35 P CB 0.319 31.935 31.700 -0.139 0.000 0.794 36 A N 0.110 122.819 122.820 -0.185 0.000 1.984 36 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 36 A C 2.113 179.575 177.584 -0.203 0.000 1.173 36 A CA 1.907 53.870 52.037 -0.123 0.000 0.673 36 A CB -1.137 17.907 19.000 0.074 0.000 0.830 36 A HN 0.343 nan 8.150 nan 0.000 0.453 37 T N -6.220 108.144 114.554 -0.317 0.000 2.969 37 T HA 0.420 4.769 4.350 -0.000 0.000 0.250 37 T C 1.480 175.901 174.700 -0.465 0.000 1.021 37 T CA 1.176 63.073 62.100 -0.339 0.000 1.003 37 T CB 0.393 69.219 68.868 -0.068 0.000 1.040 37 T HN 1.651 nan 8.240 nan 0.000 0.492 38 G N 2.293 110.882 108.800 -0.353 0.000 2.205 38 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.261 38 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.261 38 G C -0.044 174.933 174.900 0.128 0.000 0.980 38 G CA 0.376 45.434 45.100 -0.071 0.000 0.632 38 G HN 1.084 nan 8.290 nan 0.000 0.533 39 E N 0.721 120.996 120.200 0.126 0.000 2.392 39 E HA 0.512 4.862 4.350 -0.000 0.000 0.259 39 E C 0.205 176.973 176.600 0.281 0.000 1.108 39 E CA 0.152 56.663 56.400 0.186 0.000 0.916 39 E CB 1.036 30.793 29.700 0.096 0.000 0.989 39 E HN 0.244 nan 8.360 nan 0.000 0.432 40 S N 0.394 116.234 115.700 0.233 0.000 2.549 40 S HA 0.279 4.749 4.470 -0.000 0.000 0.279 40 S C 0.523 175.120 174.600 -0.004 0.000 1.321 40 S CA 0.060 58.288 58.200 0.047 0.000 1.054 40 S CB 0.481 63.687 63.200 0.010 0.000 0.899 40 S HN 0.606 nan 8.310 nan 0.000 0.497 41 L N 2.997 124.193 121.223 -0.046 0.000 2.808 41 L HA 0.705 5.045 4.340 -0.000 0.000 0.246 41 L C 1.175 178.097 176.870 0.086 0.000 1.153 41 L CA 0.513 55.377 54.840 0.040 0.000 0.956 41 L CB -1.406 40.737 42.059 0.139 0.000 1.270 41 L HN 1.323 nan 8.230 nan 0.000 0.528 42 G N -1.029 107.767 108.800 -0.006 0.000 2.483 42 G HA2 0.343 4.303 3.960 -0.000 0.000 0.521 42 G HA3 0.343 4.303 3.960 -0.000 0.000 0.521 42 G C -0.079 174.815 174.900 -0.011 0.000 1.278 42 G CA 0.328 45.412 45.100 -0.025 0.000 0.965 42 G HN 1.836 nan 8.290 nan 0.000 0.504 43 T N -2.441 112.091 114.554 -0.038 0.000 2.918 43 T HA 0.914 5.264 4.350 -0.000 0.000 0.286 43 T C 0.256 174.929 174.700 -0.046 0.000 1.026 43 T CA 0.199 62.234 62.100 -0.108 0.000 1.031 43 T CB 1.650 70.438 68.868 -0.133 0.000 1.046 43 T HN 2.218 nan 8.240 nan 0.000 0.479 44 V N -1.460 118.247 119.914 -0.345 0.000 3.001 44 V HA 0.787 4.907 4.120 -0.000 0.000 0.314 44 V C -3.095 172.744 176.094 -0.426 0.000 1.099 44 V CA -3.331 58.763 62.300 -0.344 0.000 0.989 44 V CB 1.247 32.776 31.823 -0.490 0.000 1.040 44 V HN 0.720 nan 8.190 nan 0.000 0.434 45 P HA 0.155 nan 4.420 nan 0.000 0.267 45 P C -0.900 176.395 177.300 -0.008 0.000 1.200 45 P CA 0.110 63.169 63.100 -0.069 0.000 0.772 45 P CB 0.319 32.029 31.700 0.016 0.000 0.855 46 K N 3.979 124.452 120.400 0.123 0.000 2.459 46 K HA 0.289 4.609 4.320 -0.000 0.000 0.218 46 K C -0.136 176.559 176.600 0.159 0.000 1.067 46 K CA -0.179 56.283 56.287 0.292 0.000 1.045 46 K CB -0.259 32.449 32.500 0.347 0.000 1.623 46 K HN 0.412 nan 8.250 nan 0.000 0.509 47 M N 0.400 120.081 119.600 0.135 0.000 2.159 47 M HA 0.436 4.916 4.480 -0.000 0.000 0.293 47 M C 0.833 177.171 176.300 0.063 0.000 1.186 47 M CA -0.350 54.997 55.300 0.079 0.000 1.073 47 M CB 1.226 33.863 32.600 0.062 0.000 1.419 47 M HN 0.591 nan 8.290 nan 0.000 0.490 48 G N -0.939 107.883 108.800 0.037 0.000 2.871 48 G HA2 0.550 4.510 3.960 -0.000 0.000 0.282 48 G HA3 0.550 4.510 3.960 -0.000 0.000 0.282 48 G C 0.234 175.141 174.900 0.011 0.000 1.212 48 G CA 0.026 45.140 45.100 0.023 0.000 0.812 48 G HN 0.718 nan 8.290 nan 0.000 0.547 49 A N -0.392 122.431 122.820 0.005 0.000 1.917 49 A HA 0.132 4.452 4.320 -0.000 0.000 0.219 49 A C 2.725 180.306 177.584 -0.004 0.000 1.182 49 A CA 3.371 55.407 52.037 -0.002 0.000 0.633 49 A CB -1.109 17.888 19.000 -0.004 0.000 0.819 49 A HN 1.660 nan 8.150 nan 0.000 0.448 50 A N -0.342 122.477 122.820 -0.001 0.000 1.877 50 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 50 A C 1.889 179.468 177.584 -0.009 0.000 1.186 50 A CA 1.896 53.931 52.037 -0.004 0.000 0.620 50 A CB -0.554 18.445 19.000 -0.001 0.000 0.822 50 A HN 0.550 nan 8.150 nan 0.000 0.443 51 E N -0.531 119.665 120.200 -0.006 0.000 2.150 51 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 51 E C 2.014 178.601 176.600 -0.023 0.000 0.985 51 E CA 1.596 57.987 56.400 -0.014 0.000 0.814 51 E CB -0.443 29.255 29.700 -0.004 0.000 0.752 51 E HN 0.585 nan 8.360 nan 0.000 0.466 52 T N 0.471 115.016 114.554 -0.015 0.000 2.821 52 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 52 T C 1.980 176.664 174.700 -0.027 0.000 1.046 52 T CA 1.137 63.225 62.100 -0.020 0.000 1.139 52 T CB -0.291 68.570 68.868 -0.011 0.000 0.871 52 T HN 0.284 nan 8.240 nan 0.000 0.454 53 A N 1.593 124.400 122.820 -0.022 0.000 1.933 53 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 53 A C 2.376 179.943 177.584 -0.028 0.000 1.175 53 A CA 1.446 53.470 52.037 -0.022 0.000 0.628 53 A CB -0.459 18.531 19.000 -0.016 0.000 0.814 53 A HN 0.363 nan 8.150 nan 0.000 0.444 54 R N -0.764 119.716 120.500 -0.033 0.000 2.090 54 R HA 0.020 4.360 4.340 -0.000 0.000 0.228 54 R C 2.467 178.731 176.300 -0.060 0.000 1.110 54 R CA 1.086 57.160 56.100 -0.043 0.000 0.973 54 R CB -0.369 29.904 30.300 -0.046 0.000 0.869 54 R HN 0.506 nan 8.270 nan 0.000 0.440 55 A N 0.922 123.702 122.820 -0.067 0.000 1.902 55 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 55 A C 2.082 179.624 177.584 -0.071 0.000 1.181 55 A CA 1.285 53.271 52.037 -0.085 0.000 0.623 55 A CB -0.477 18.475 19.000 -0.079 0.000 0.818 55 A HN 0.205 nan 8.150 nan 0.000 0.443 56 I N -0.869 119.670 120.570 -0.052 0.000 2.179 56 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 56 I C 2.520 178.616 176.117 -0.035 0.000 1.088 56 I CA 1.696 62.968 61.300 -0.046 0.000 1.357 56 I CB -0.378 37.600 38.000 -0.037 0.000 1.051 56 I HN 0.331 nan 8.210 nan 0.000 0.409 57 E N 0.866 121.049 120.200 -0.028 0.000 2.058 57 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 57 E C 2.291 178.882 176.600 -0.015 0.000 0.997 57 E CA 1.601 57.992 56.400 -0.015 0.000 0.801 57 E CB -0.232 29.459 29.700 -0.015 0.000 0.746 57 E HN 0.488 nan 8.360 nan 0.000 0.450 58 A N 0.974 123.770 122.820 -0.040 0.000 1.883 58 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 58 A C 2.399 179.962 177.584 -0.036 0.000 1.186 58 A CA 2.091 54.097 52.037 -0.051 0.000 0.624 58 A CB -1.050 17.892 19.000 -0.096 0.000 0.822 58 A HN 0.336 nan 8.150 nan 0.000 0.444 59 A N -0.927 121.864 122.820 -0.049 0.000 1.908 59 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 59 A C 2.215 179.817 177.584 0.030 0.000 1.181 59 A CA 2.034 54.045 52.037 -0.042 0.000 0.627 59 A CB -0.648 18.305 19.000 -0.078 0.000 0.818 59 A HN 0.701 nan 8.150 nan 0.000 0.445 60 Q N -0.712 119.113 119.800 0.042 0.000 2.050 60 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 60 Q C 2.145 178.247 176.000 0.170 0.000 0.980 60 Q CA 1.680 57.557 55.803 0.124 0.000 0.840 60 Q CB -0.343 28.447 28.738 0.087 0.000 0.898 60 Q HN 0.614 nan 8.270 nan 0.000 0.424 61 A N 0.136 123.012 122.820 0.095 0.000 2.015 61 A HA 0.032 4.352 4.320 -0.000 0.000 0.219 61 A C 2.064 179.706 177.584 0.097 0.000 1.163 61 A CA 1.319 53.404 52.037 0.079 0.000 0.646 61 A CB -0.511 18.510 19.000 0.035 0.000 0.806 61 A HN 0.510 nan 8.150 nan 0.000 0.448 62 A N -2.151 120.731 122.820 0.105 0.000 2.178 62 A HA 0.097 4.417 4.320 -0.000 0.000 0.211 62 A C 1.695 179.434 177.584 0.257 0.000 1.157 62 A CA 0.845 52.953 52.037 0.118 0.000 0.780 62 A CB -0.579 18.438 19.000 0.027 0.000 0.828 62 A HN 0.755 nan 8.150 nan 0.000 0.476 63 W N 1.215 122.558 121.300 0.072 0.000 2.353 63 W HA -0.147 4.513 4.660 0.000 0.000 0.319 63 W C 2.362 178.967 176.519 0.143 0.000 1.207 63 W CA 1.668 59.091 57.345 0.129 0.000 1.291 63 W CB -0.831 28.683 29.460 0.091 0.000 1.159 63 W HN 0.335 nan 8.180 nan 0.000 0.478 64 A N 0.639 123.464 122.820 0.009 0.000 1.917 64 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 64 A C 2.296 179.842 177.584 -0.064 0.000 1.182 64 A CA 2.570 54.497 52.037 -0.183 0.000 0.633 64 A CB -1.628 17.297 19.000 -0.126 0.000 0.819 64 A HN 0.438 nan 8.150 nan 0.000 0.448 65 G N -2.135 106.698 108.800 0.055 0.000 2.422 65 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.218 65 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.218 65 G C 1.507 176.504 174.900 0.162 0.000 1.140 65 G CA 0.819 45.971 45.100 0.087 0.000 0.775 65 G HN 0.709 nan 8.290 nan 0.000 0.545 66 W N 2.515 123.842 121.300 0.045 0.000 2.443 66 W HA -0.061 4.599 4.660 -0.000 0.000 0.296 66 W C 2.683 179.249 176.519 0.078 0.000 1.202 66 W CA 0.999 58.393 57.345 0.081 0.000 1.312 66 W CB 0.058 29.602 29.460 0.140 0.000 1.120 66 W HN 0.311 nan 8.180 nan 0.000 0.536 67 R N 0.416 120.946 120.500 0.049 0.000 2.148 67 R HA -0.163 4.177 4.340 -0.000 0.000 0.227 67 R C 2.137 178.338 176.300 -0.165 0.000 1.103 67 R CA 1.653 57.695 56.100 -0.097 0.000 0.983 67 R CB -1.128 29.098 30.300 -0.124 0.000 0.874 67 R HN 0.205 nan 8.270 nan 0.000 0.451 68 M N 1.033 120.551 119.600 -0.137 0.000 2.476 68 M HA 0.030 4.510 4.480 -0.000 0.000 0.262 68 M C 0.015 176.240 176.300 -0.124 0.000 1.079 68 M CA 1.081 56.310 55.300 -0.118 0.000 1.104 68 M CB 0.263 32.813 32.600 -0.083 0.000 1.409 68 M HN 0.053 nan 8.290 nan 0.000 0.467 69 K N 1.094 121.388 120.400 -0.177 0.000 2.258 69 K HA 0.080 4.400 4.320 -0.000 0.000 0.264 69 K C 0.392 176.868 176.600 -0.208 0.000 1.007 69 K CA 0.019 56.186 56.287 -0.201 0.000 0.941 69 K CB 0.564 32.879 32.500 -0.308 0.000 0.966 69 K HN 0.228 nan 8.250 nan 0.000 0.480 70 T N -1.373 113.088 114.554 -0.156 0.000 2.860 70 T HA 0.181 4.531 4.350 -0.000 0.000 0.299 70 T C 1.330 175.932 174.700 -0.163 0.000 1.045 70 T CA -0.338 61.683 62.100 -0.132 0.000 1.071 70 T CB 1.363 70.179 68.868 -0.088 0.000 0.985 70 T HN 0.572 nan 8.240 nan 0.000 0.537 71 A N 1.071 123.815 122.820 -0.126 0.000 1.940 71 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 71 A C 2.346 179.877 177.584 -0.088 0.000 1.176 71 A CA 1.943 53.913 52.037 -0.113 0.000 0.631 71 A CB -0.922 18.034 19.000 -0.073 0.000 0.814 71 A HN 0.994 nan 8.150 nan 0.000 0.446 72 K N -0.191 120.166 120.400 -0.073 0.000 2.032 72 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 72 K C 1.937 178.511 176.600 -0.042 0.000 1.048 72 K CA 1.870 58.127 56.287 -0.051 0.000 0.927 72 K CB -0.191 32.282 32.500 -0.045 0.000 0.712 72 K HN 0.643 nan 8.250 nan 0.000 0.441 73 E N -0.022 120.140 120.200 -0.064 0.000 2.031 73 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 73 E C 2.179 178.749 176.600 -0.049 0.000 0.994 73 E CA 1.247 57.616 56.400 -0.053 0.000 0.800 73 E CB -0.004 29.652 29.700 -0.075 0.000 0.752 73 E HN 0.256 nan 8.360 nan 0.000 0.447 74 R N 0.382 120.789 120.500 -0.156 0.000 2.103 74 R HA -0.169 4.171 4.340 -0.000 0.000 0.242 74 R C 2.334 178.684 176.300 0.084 0.000 1.142 74 R CA 1.245 57.258 56.100 -0.146 0.000 0.960 74 R CB -0.402 29.654 30.300 -0.408 0.000 0.858 74 R HN 0.133 nan 8.270 nan 0.000 0.439 75 A N 1.027 123.870 122.820 0.038 0.000 2.015 75 A HA -0.032 4.288 4.320 -0.000 0.000 0.219 75 A C 2.316 179.953 177.584 0.089 0.000 1.163 75 A CA 1.438 53.516 52.037 0.068 0.000 0.646 75 A CB -0.383 18.623 19.000 0.010 0.000 0.806 75 A HN 0.403 nan 8.150 nan 0.000 0.448 76 A N 0.028 122.893 122.820 0.075 0.000 1.930 76 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 76 A C 2.066 179.732 177.584 0.136 0.000 1.175 76 A CA 1.378 53.467 52.037 0.087 0.000 0.627 76 A CB -0.490 18.546 19.000 0.060 0.000 0.815 76 A HN 0.485 nan 8.150 nan 0.000 0.443 77 I N -0.358 120.315 120.570 0.172 0.000 2.202 77 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 77 I C 2.352 178.641 176.117 0.287 0.000 1.091 77 I CA 1.025 62.456 61.300 0.219 0.000 1.368 77 I CB -0.343 37.823 38.000 0.276 0.000 1.058 77 I HN 0.263 nan 8.210 nan 0.000 0.410 78 L N 0.321 121.739 121.223 0.324 0.000 2.046 78 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 78 L C 2.759 179.847 176.870 0.363 0.000 1.077 78 L CA 1.394 56.482 54.840 0.413 0.000 0.747 78 L CB -0.559 41.717 42.059 0.362 0.000 0.896 78 L HN 0.249 nan 8.230 nan 0.000 0.432 79 R N 0.104 120.755 120.500 0.250 0.000 2.148 79 R HA -0.091 4.249 4.340 -0.000 0.000 0.223 79 R C 2.411 178.895 176.300 0.306 0.000 1.088 79 R CA 0.815 57.062 56.100 0.245 0.000 0.985 79 R CB 0.019 30.398 30.300 0.131 0.000 0.880 79 R HN 0.242 nan 8.270 nan 0.000 0.451 80 R N -0.638 120.015 120.500 0.255 0.000 2.092 80 R HA -0.169 4.171 4.340 -0.000 0.000 0.231 80 R C 1.850 178.318 176.300 0.281 0.000 1.119 80 R CA 1.517 57.749 56.100 0.220 0.000 0.970 80 R CB -0.406 29.993 30.300 0.165 0.000 0.864 80 R HN 0.323 nan 8.270 nan 0.000 0.440 81 W N 1.172 122.545 121.300 0.121 0.000 2.355 81 W HA -0.243 4.417 4.660 -0.000 0.000 0.309 81 W C 1.834 178.434 176.519 0.136 0.000 1.206 81 W CA 0.993 58.401 57.345 0.104 0.000 1.284 81 W CB -0.933 28.593 29.460 0.110 0.000 1.145 81 W HN 0.012 nan 8.180 nan 0.000 0.502 82 F N 2.094 122.055 119.950 0.019 0.000 2.065 82 F HA -0.303 4.224 4.527 -0.000 0.000 0.298 82 F C 2.115 177.887 175.800 -0.047 0.000 1.112 82 F CA 2.750 60.680 58.000 -0.117 0.000 1.212 82 F CB -0.866 38.106 39.000 -0.046 0.000 0.975 82 F HN -0.218 nan 8.300 nan 0.000 0.476 83 D N 0.646 120.981 120.400 -0.109 0.000 2.123 83 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 83 D C 2.473 178.676 176.300 -0.162 0.000 0.992 83 D CA 1.636 55.513 54.000 -0.204 0.000 0.833 83 D CB -0.524 40.286 40.800 0.016 0.000 0.954 83 D HN 0.369 nan 8.370 nan 0.000 0.455 84 L N 0.316 121.517 121.223 -0.037 0.000 2.056 84 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 84 L C 2.577 179.426 176.870 -0.034 0.000 1.078 84 L CA 0.528 55.373 54.840 0.008 0.000 0.749 84 L CB -0.263 41.862 42.059 0.111 0.000 0.901 84 L HN -0.070 nan 8.230 nan 0.000 0.433 85 V N 0.019 119.875 119.914 -0.097 0.000 2.295 85 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 85 V C 2.416 178.407 176.094 -0.171 0.000 1.049 85 V CA 1.551 63.772 62.300 -0.131 0.000 1.024 85 V CB -0.425 31.260 31.823 -0.229 0.000 0.648 85 V HN 0.287 nan 8.190 nan 0.000 0.447 86 I N 0.758 121.138 120.570 -0.317 0.000 2.163 86 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 86 I C 2.719 178.748 176.117 -0.147 0.000 1.085 86 I CA 2.117 63.248 61.300 -0.281 0.000 1.347 86 I CB -1.578 36.158 38.000 -0.440 0.000 1.044 86 I HN 0.343 nan 8.210 nan 0.000 0.408 87 A N 0.777 123.524 122.820 -0.121 0.000 1.972 87 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 87 A C 1.727 179.293 177.584 -0.031 0.000 1.169 87 A CA 1.358 53.359 52.037 -0.061 0.000 0.635 87 A CB -0.576 18.400 19.000 -0.041 0.000 0.810 87 A HN 0.520 nan 8.150 nan 0.000 0.446 88 N N -0.271 118.415 118.700 -0.023 0.000 2.320 88 N HA 0.061 4.801 4.740 -0.000 0.000 0.237 88 N C 1.037 176.548 175.510 0.002 0.000 1.129 88 N CA 0.488 53.540 53.050 0.004 0.000 0.854 88 N CB 0.568 39.076 38.487 0.034 0.000 1.083 88 N HN 0.403 nan 8.380 nan 0.000 0.504 89 S N 1.721 117.412 115.700 -0.015 0.000 2.365 89 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 89 S C 1.365 175.970 174.600 0.008 0.000 1.039 89 S CA 1.404 59.600 58.200 -0.007 0.000 1.033 89 S CB 0.057 63.246 63.200 -0.019 0.000 0.887 89 S HN 0.255 nan 8.310 nan 0.000 0.447 90 D N 0.960 121.362 120.400 0.005 0.000 2.144 90 D HA -0.079 4.561 4.640 -0.000 0.000 0.199 90 D C 1.657 177.961 176.300 0.008 0.000 0.984 90 D CA 1.160 55.165 54.000 0.007 0.000 0.834 90 D CB -0.508 40.294 40.800 0.003 0.000 0.955 90 D HN 0.449 nan 8.370 nan 0.000 0.465 91 D N 0.144 120.548 120.400 0.007 0.000 2.103 91 D HA -0.025 4.615 4.640 -0.000 0.000 0.199 91 D C 2.440 178.747 176.300 0.011 0.000 0.978 91 D CA 0.223 54.224 54.000 0.002 0.000 0.829 91 D CB -0.350 40.450 40.800 0.001 0.000 0.981 91 D HN 0.180 nan 8.370 nan 0.000 0.464 92 L N 0.871 122.110 121.223 0.027 0.000 2.043 92 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 92 L C 2.504 179.402 176.870 0.048 0.000 1.075 92 L CA 1.371 56.239 54.840 0.047 0.000 0.752 92 L CB -0.417 41.677 42.059 0.058 0.000 0.891 92 L HN -0.016 nan 8.230 nan 0.000 0.432 93 A N -0.245 122.598 122.820 0.039 0.000 1.877 93 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 93 A C 2.190 179.792 177.584 0.030 0.000 1.186 93 A CA 1.687 53.748 52.037 0.039 0.000 0.620 93 A CB -0.753 18.268 19.000 0.035 0.000 0.822 93 A HN 0.311 nan 8.150 nan 0.000 0.443 94 L N 0.065 121.299 121.223 0.018 0.000 2.042 94 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 94 L C 2.222 179.096 176.870 0.006 0.000 1.076 94 L CA 1.737 56.582 54.840 0.008 0.000 0.749 94 L CB -0.540 41.516 42.059 -0.005 0.000 0.893 94 L HN 0.447 nan 8.230 nan 0.000 0.432 95 I N -1.257 119.316 120.570 0.004 0.000 2.226 95 I HA -0.328 3.841 4.170 -0.000 0.000 0.245 95 I C 2.452 178.605 176.117 0.060 0.000 1.100 95 I CA 1.477 62.780 61.300 0.006 0.000 1.374 95 I CB -0.245 37.756 38.000 0.002 0.000 1.057 95 I HN 0.322 nan 8.210 nan 0.000 0.413 96 L N -0.063 121.199 121.223 0.065 0.000 2.005 96 L HA -0.218 4.122 4.340 -0.000 0.000 0.207 96 L C 2.615 179.515 176.870 0.051 0.000 1.072 96 L CA 1.723 56.606 54.840 0.072 0.000 0.744 96 L CB -0.402 41.697 42.059 0.067 0.000 0.895 96 L HN 0.178 nan 8.230 nan 0.000 0.433 97 T N -0.800 113.774 114.554 0.034 0.000 2.665 97 T HA -0.231 4.119 4.350 -0.000 0.000 0.268 97 T C 1.706 176.422 174.700 0.026 0.000 1.035 97 T CA 2.153 64.267 62.100 0.023 0.000 1.151 97 T CB -0.424 68.457 68.868 0.022 0.000 0.862 97 T HN 0.474 nan 8.240 nan 0.000 0.438 98 T N 2.073 116.646 114.554 0.032 0.000 2.684 98 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 98 T C 1.996 176.732 174.700 0.060 0.000 1.036 98 T CA 1.736 63.857 62.100 0.036 0.000 1.148 98 T CB -0.299 68.583 68.868 0.023 0.000 0.863 98 T HN 0.785 nan 8.240 nan 0.000 0.436 99 E N 0.112 120.369 120.200 0.095 0.000 2.318 99 E HA 0.019 4.368 4.350 -0.000 0.000 0.193 99 E C 2.226 178.862 176.600 0.061 0.000 0.998 99 E CA 0.397 56.869 56.400 0.121 0.000 0.859 99 E CB -0.013 29.819 29.700 0.220 0.000 0.812 99 E HN 0.282 nan 8.360 nan 0.000 0.492 100 Q N -0.044 119.782 119.800 0.045 0.000 2.431 100 Q HA 0.114 4.454 4.340 -0.000 0.000 0.244 100 Q C 1.210 177.200 176.000 -0.017 0.000 0.880 100 Q CA 1.336 57.156 55.803 0.028 0.000 0.954 100 Q CB 1.283 30.056 28.738 0.059 0.000 1.105 100 Q HN 0.435 nan 8.270 nan 0.000 0.558 101 G N 1.747 110.533 108.800 -0.023 0.000 2.436 101 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.204 101 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.204 101 G C 0.003 174.884 174.900 -0.033 0.000 1.026 101 G CA 0.041 45.108 45.100 -0.055 0.000 0.658 101 G HN 0.392 nan 8.290 nan 0.000 0.499 102 K N 1.873 122.255 120.400 -0.030 0.000 2.469 102 K HA 0.404 4.724 4.320 -0.000 0.000 0.274 102 K C -2.628 173.974 176.600 0.003 0.000 0.983 102 K CA -0.726 55.547 56.287 -0.023 0.000 0.974 102 K CB 0.393 32.853 32.500 -0.066 0.000 0.913 102 K HN 0.163 nan 8.250 nan 0.000 0.493 103 P HA -0.044 nan 4.420 nan 0.000 0.269 103 P C 0.772 178.087 177.300 0.025 0.000 1.209 103 P CA -0.186 62.932 63.100 0.030 0.000 0.776 103 P CB 0.501 32.222 31.700 0.036 0.000 0.876 104 L N 2.094 123.333 121.223 0.027 0.000 2.089 104 L HA -0.328 4.012 4.340 -0.000 0.000 0.213 104 L C 2.197 179.084 176.870 0.030 0.000 1.079 104 L CA 2.209 57.065 54.840 0.026 0.000 0.758 104 L CB -0.775 41.298 42.059 0.023 0.000 0.891 104 L HN 0.470 nan 8.230 nan 0.000 0.433 105 A N -0.579 122.259 122.820 0.030 0.000 1.902 105 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 105 A C 2.116 179.725 177.584 0.041 0.000 1.181 105 A CA 1.717 53.774 52.037 0.034 0.000 0.623 105 A CB -0.428 18.591 19.000 0.032 0.000 0.818 105 A HN 0.469 nan 8.150 nan 0.000 0.443 106 E N -0.529 119.694 120.200 0.039 0.000 2.106 106 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 106 E C 2.250 178.881 176.600 0.052 0.000 0.984 106 E CA 0.861 57.288 56.400 0.044 0.000 0.806 106 E CB -0.214 29.501 29.700 0.025 0.000 0.750 106 E HN 0.626 nan 8.360 nan 0.000 0.458 107 A N 1.288 124.131 122.820 0.039 0.000 1.968 107 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 107 A C 1.890 179.517 177.584 0.073 0.000 1.169 107 A CA 1.011 53.078 52.037 0.050 0.000 0.638 107 A CB -0.102 18.919 19.000 0.035 0.000 0.812 107 A HN 0.020 nan 8.150 nan 0.000 0.446 108 K N -0.548 119.888 120.400 0.060 0.000 2.097 108 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 108 K C 2.121 178.770 176.600 0.081 0.000 1.050 108 K CA 0.878 57.202 56.287 0.061 0.000 0.938 108 K CB -0.352 32.173 32.500 0.043 0.000 0.718 108 K HN 0.450 nan 8.250 nan 0.000 0.442 109 G N 1.698 110.550 108.800 0.086 0.000 2.446 109 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.217 109 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.217 109 G C 1.362 176.362 174.900 0.167 0.000 1.168 109 G CA 1.143 46.305 45.100 0.103 0.000 0.771 109 G HN 0.444 nan 8.290 nan 0.000 0.551 110 E N -0.039 120.281 120.200 0.199 0.000 2.118 110 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 110 E C 2.423 179.197 176.600 0.290 0.000 0.992 110 E CA 0.919 57.511 56.400 0.320 0.000 0.804 110 E CB -0.120 29.777 29.700 0.330 0.000 0.741 110 E HN 0.328 nan 8.360 nan 0.000 0.458 111 I N 1.380 122.059 120.570 0.181 0.000 2.202 111 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 111 I C 2.592 178.778 176.117 0.115 0.000 1.091 111 I CA 1.358 62.734 61.300 0.127 0.000 1.368 111 I CB -1.703 36.341 38.000 0.073 0.000 1.058 111 I HN 0.230 nan 8.210 nan 0.000 0.410 112 A N 0.098 122.989 122.820 0.119 0.000 1.902 112 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 112 A C 2.380 180.057 177.584 0.155 0.000 1.181 112 A CA 1.498 53.601 52.037 0.110 0.000 0.623 112 A CB -1.150 17.908 19.000 0.096 0.000 0.818 112 A HN 0.440 nan 8.150 nan 0.000 0.443 113 Y N 0.724 121.057 120.300 0.054 0.000 2.053 113 Y HA -0.196 4.354 4.550 -0.000 0.000 0.277 113 Y C 2.746 178.715 175.900 0.115 0.000 1.159 113 Y CA 1.464 59.587 58.100 0.038 0.000 1.125 113 Y CB -0.856 37.656 38.460 0.087 0.000 0.969 113 Y HN 0.321 nan 8.280 nan 0.000 0.492 114 A N 0.555 123.497 122.820 0.204 0.000 1.865 114 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 114 A C 2.506 180.146 177.584 0.093 0.000 1.191 114 A CA 2.606 54.739 52.037 0.161 0.000 0.623 114 A CB -1.720 17.361 19.000 0.136 0.000 0.826 114 A HN 0.674 nan 8.150 nan 0.000 0.444 115 A N 0.290 123.151 122.820 0.069 0.000 1.903 115 A HA -0.235 4.084 4.320 -0.000 0.000 0.219 115 A C 2.547 180.290 177.584 0.265 0.000 1.191 115 A CA 3.068 55.186 52.037 0.136 0.000 0.638 115 A CB -1.237 17.803 19.000 0.068 0.000 0.823 115 A HN 1.254 nan 8.150 nan 0.000 0.451 116 S N -1.396 114.356 115.700 0.087 0.000 2.419 116 S HA -0.107 4.363 4.470 -0.000 0.000 0.233 116 S C 1.680 176.153 174.600 -0.213 0.000 1.016 116 S CA 1.377 59.522 58.200 -0.093 0.000 0.974 116 S CB -0.733 62.335 63.200 -0.219 0.000 0.786 116 S HN 0.377 nan 8.310 nan 0.000 0.492 117 F N 1.736 121.617 119.950 -0.114 0.000 2.186 117 F HA 0.213 4.740 4.527 -0.000 0.000 0.299 117 F C 2.141 178.012 175.800 0.118 0.000 1.090 117 F CA 0.545 58.520 58.000 -0.043 0.000 1.307 117 F CB -0.501 38.484 39.000 -0.026 0.000 1.019 117 F HN 0.184 nan 8.300 nan 0.000 0.489 118 I N -0.228 120.460 120.570 0.196 0.000 2.179 118 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 118 I C 2.507 178.659 176.117 0.059 0.000 1.088 118 I CA 1.629 62.995 61.300 0.111 0.000 1.357 118 I CB -0.542 37.378 38.000 -0.132 0.000 1.051 118 I HN 0.147 nan 8.210 nan 0.000 0.409 119 E N 0.666 120.772 120.200 -0.157 0.000 2.051 119 E HA -0.274 4.075 4.350 -0.000 0.000 0.192 119 E C 2.143 178.624 176.600 -0.198 0.000 0.991 119 E CA 1.476 57.630 56.400 -0.409 0.000 0.799 119 E CB -0.238 28.936 29.700 -0.876 0.000 0.748 119 E HN 0.596 nan 8.360 nan 0.000 0.449 120 W N 0.310 121.416 121.300 -0.323 0.000 2.355 120 W HA -0.230 4.430 4.660 -0.000 0.000 0.309 120 W C 1.423 177.736 176.519 -0.345 0.000 1.206 120 W CA 1.122 58.232 57.345 -0.392 0.000 1.284 120 W CB -0.383 28.729 29.460 -0.581 0.000 1.145 120 W HN 0.111 nan 8.180 nan 0.000 0.502 121 F N 0.850 120.878 119.950 0.129 0.000 2.456 121 F HA 0.022 4.549 4.527 -0.000 0.000 0.298 121 F C 2.644 178.429 175.800 -0.026 0.000 1.104 121 F CA 1.407 59.441 58.000 0.058 0.000 1.435 121 F CB -1.376 37.713 39.000 0.148 0.000 1.078 121 F HN -0.125 nan 8.300 nan 0.000 0.546 122 A N 0.465 123.346 122.820 0.103 0.000 1.883 122 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 122 A C 2.138 179.683 177.584 -0.065 0.000 1.186 122 A CA 1.982 54.044 52.037 0.040 0.000 0.624 122 A CB -0.751 18.255 19.000 0.011 0.000 0.822 122 A HN 0.440 nan 8.150 nan 0.000 0.444 123 E N -0.475 119.610 120.200 -0.192 0.000 2.106 123 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 123 E C 1.953 178.376 176.600 -0.294 0.000 0.984 123 E CA 0.985 57.220 56.400 -0.276 0.000 0.806 123 E CB -0.162 29.289 29.700 -0.416 0.000 0.750 123 E HN 0.524 nan 8.360 nan 0.000 0.458 124 E N 0.542 120.534 120.200 -0.348 0.000 2.110 124 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 124 E C 2.293 178.863 176.600 -0.050 0.000 0.988 124 E CA 0.985 57.252 56.400 -0.222 0.000 0.804 124 E CB -0.436 29.197 29.700 -0.112 0.000 0.745 124 E HN 0.375 nan 8.360 nan 0.000 0.458 125 G N 1.808 110.611 108.800 0.004 0.000 2.507 125 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.221 125 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.221 125 G C 1.475 176.362 174.900 -0.022 0.000 1.119 125 G CA 0.788 45.899 45.100 0.020 0.000 0.751 125 G HN 0.254 nan 8.290 nan 0.000 0.574 126 K N -0.346 120.020 120.400 -0.057 0.000 2.525 126 K HA 0.130 4.449 4.320 -0.000 0.000 0.192 126 K C 1.794 178.356 176.600 -0.063 0.000 1.029 126 K CA 0.223 56.472 56.287 -0.064 0.000 1.029 126 K CB 0.226 32.677 32.500 -0.081 0.000 0.814 126 K HN 0.193 nan 8.250 nan 0.000 0.503 127 R N 0.062 120.526 120.500 -0.060 0.000 2.531 127 R HA 0.123 4.462 4.340 -0.000 0.000 0.316 127 R C -0.388 175.899 176.300 -0.022 0.000 0.955 127 R CA -0.158 55.908 56.100 -0.058 0.000 1.120 127 R CB 1.100 31.342 30.300 -0.097 0.000 1.361 127 R HN -0.136 nan 8.270 nan 0.000 0.534 128 V N 2.217 122.134 119.914 0.006 0.000 2.452 128 V HA 0.151 4.271 4.120 -0.000 0.000 0.286 128 V C 0.338 176.446 176.094 0.022 0.000 0.995 128 V CA 0.178 62.500 62.300 0.036 0.000 1.116 128 V CB 0.269 32.126 31.823 0.057 0.000 0.954 128 V HN 0.225 nan 8.190 nan 0.000 0.473 129 A N 4.583 127.416 122.820 0.023 0.000 2.371 129 A HA 0.889 5.209 4.320 -0.000 0.000 0.311 129 A C 0.361 177.959 177.584 0.022 0.000 1.068 129 A CA 0.024 52.068 52.037 0.011 0.000 0.744 129 A CB 1.711 20.706 19.000 -0.009 0.000 1.239 129 A HN 0.868 nan 8.150 nan 0.000 0.435 130 G N 0.052 108.865 108.800 0.022 0.000 2.695 130 G HA2 0.622 4.582 3.960 -0.000 0.000 0.213 130 G HA3 0.622 4.582 3.960 -0.000 0.000 0.213 130 G C -0.872 174.040 174.900 0.021 0.000 1.406 130 G CA -0.391 44.727 45.100 0.029 0.000 1.049 130 G HN 0.690 nan 8.290 nan 0.000 0.573 131 D N -0.602 119.814 120.400 0.026 0.000 2.645 131 D HA 0.450 5.090 4.640 -0.000 0.000 0.228 131 D C -0.829 175.487 176.300 0.026 0.000 1.148 131 D CA -0.213 53.799 54.000 0.020 0.000 0.860 131 D CB 2.051 42.861 40.800 0.017 0.000 1.548 131 D HN 0.495 nan 8.370 nan 0.000 0.460 132 T N -0.774 113.792 114.554 0.019 0.000 2.807 132 T HA 0.716 5.066 4.350 -0.000 0.000 0.279 132 T C -0.194 174.517 174.700 0.018 0.000 0.993 132 T CA -0.706 61.409 62.100 0.024 0.000 0.970 132 T CB 1.001 69.880 68.868 0.019 0.000 0.950 132 T HN 0.220 nan 8.240 nan 0.000 0.441 133 L N 2.777 124.014 121.223 0.023 0.000 2.323 133 L HA 0.632 4.972 4.340 -0.000 0.000 0.265 133 L C -2.420 174.458 176.870 0.014 0.000 1.012 133 L CA -2.771 52.076 54.840 0.011 0.000 0.820 133 L CB 1.956 44.015 42.059 -0.001 0.000 1.334 133 L HN 0.443 nan 8.230 nan 0.000 0.427 134 P HA 0.103 nan 4.420 nan 0.000 0.276 134 P C -0.485 176.821 177.300 0.011 0.000 1.235 134 P CA -0.190 62.916 63.100 0.009 0.000 0.772 134 P CB 0.846 32.549 31.700 0.004 0.000 0.871 135 T N 3.647 118.212 114.554 0.018 0.000 2.897 135 T HA 0.259 4.609 4.350 -0.000 0.000 0.294 135 T C -1.066 173.645 174.700 0.018 0.000 1.004 135 T CA -1.448 60.667 62.100 0.025 0.000 1.106 135 T CB 0.090 68.978 68.868 0.033 0.000 0.949 135 T HN 0.316 nan 8.240 nan 0.000 0.520 136 P HA 0.205 nan 4.420 nan 0.000 0.235 136 P C -0.187 177.124 177.300 0.018 0.000 1.177 136 P CA 0.302 63.411 63.100 0.014 0.000 0.785 136 P CB 0.366 32.073 31.700 0.011 0.000 0.885 137 D N -0.188 120.227 120.400 0.025 0.000 2.391 137 D HA 0.388 5.028 4.640 -0.000 0.000 0.245 137 D C 0.825 177.138 176.300 0.021 0.000 1.069 137 D CA -0.580 53.434 54.000 0.023 0.000 0.831 137 D CB 2.255 43.072 40.800 0.029 0.000 1.204 137 D HN -0.142 nan 8.370 nan 0.000 0.503 138 A N 4.198 127.027 122.820 0.015 0.000 2.019 138 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 138 A C 1.400 178.991 177.584 0.013 0.000 1.164 138 A CA 0.891 52.936 52.037 0.013 0.000 0.644 138 A CB -0.153 18.852 19.000 0.009 0.000 0.805 138 A HN 0.602 nan 8.150 nan 0.000 0.449 139 N N -0.122 118.586 118.700 0.013 0.000 2.370 139 N HA 0.108 4.848 4.740 -0.000 0.000 0.198 139 N C -0.359 175.159 175.510 0.014 0.000 1.156 139 N CA 0.501 53.558 53.050 0.011 0.000 0.839 139 N CB 0.258 38.750 38.487 0.009 0.000 0.989 139 N HN 0.497 nan 8.380 nan 0.000 0.468 140 K N -0.019 120.394 120.400 0.021 0.000 2.508 140 K HA 0.473 4.793 4.320 -0.000 0.000 0.260 140 K C -0.897 175.724 176.600 0.036 0.000 0.949 140 K CA -0.690 55.614 56.287 0.028 0.000 0.834 140 K CB 1.989 34.513 32.500 0.041 0.000 1.365 140 K HN -0.239 nan 8.250 nan 0.000 0.437 141 R N 1.320 121.844 120.500 0.040 0.000 2.686 141 R HA 0.564 4.904 4.340 -0.000 0.000 0.286 141 R C -1.139 175.209 176.300 0.081 0.000 0.969 141 R CA -0.595 55.533 56.100 0.047 0.000 0.898 141 R CB 1.095 31.412 30.300 0.030 0.000 1.183 141 R HN 0.524 nan 8.270 nan 0.000 0.456 142 I N 2.822 123.450 120.570 0.098 0.000 2.362 142 I HA 0.459 4.629 4.170 -0.000 0.000 0.289 142 I C -0.677 175.513 176.117 0.121 0.000 0.994 142 I CA -0.968 60.430 61.300 0.164 0.000 1.158 142 I CB 1.748 39.838 38.000 0.149 0.000 1.315 142 I HN 0.084 nan 8.210 nan 0.000 0.451 143 V N 6.895 126.895 119.914 0.145 0.000 2.656 143 V HA 0.514 4.634 4.120 -0.000 0.000 0.307 143 V C -0.353 175.822 176.094 0.136 0.000 1.051 143 V CA -0.725 61.633 62.300 0.098 0.000 0.893 143 V CB 2.466 34.322 31.823 0.055 0.000 0.999 143 V HN 0.390 nan 8.190 nan 0.000 0.426 144 V N 4.886 124.860 119.914 0.100 0.000 2.531 144 V HA 0.695 4.815 4.120 -0.000 0.000 0.301 144 V C -0.267 175.868 176.094 0.070 0.000 1.034 144 V CA -0.510 61.853 62.300 0.105 0.000 0.865 144 V CB 2.096 33.970 31.823 0.085 0.000 0.995 144 V HN 0.824 nan 8.190 nan 0.000 0.424 145 V N 2.629 122.584 119.914 0.069 0.000 3.113 145 V HA 0.784 4.904 4.120 -0.000 0.000 0.316 145 V C -0.733 175.398 176.094 0.062 0.000 1.125 145 V CA -0.976 61.356 62.300 0.053 0.000 1.026 145 V CB 2.312 34.158 31.823 0.039 0.000 1.080 145 V HN 0.796 nan 8.190 nan 0.000 0.444 146 K N 1.221 121.656 120.400 0.058 0.000 2.375 146 K HA 0.719 5.039 4.320 -0.000 0.000 0.249 146 K C -1.257 175.390 176.600 0.078 0.000 0.942 146 K CA -0.592 55.739 56.287 0.073 0.000 0.806 146 K CB 2.359 34.904 32.500 0.076 0.000 1.227 146 K HN 1.015 nan 8.250 nan 0.000 0.430 147 E N 1.334 121.596 120.200 0.104 0.000 2.372 147 E HA 0.368 4.718 4.350 -0.000 0.000 0.279 147 E C -2.972 173.745 176.600 0.194 0.000 0.946 147 E CA -2.517 53.961 56.400 0.129 0.000 0.769 147 E CB 1.665 31.432 29.700 0.111 0.000 1.230 147 E HN 0.138 nan 8.360 nan 0.000 0.442 148 P HA -0.062 nan 4.420 nan 0.000 0.266 148 P C 0.422 177.907 177.300 0.308 0.000 1.186 148 P CA 0.159 63.453 63.100 0.324 0.000 0.767 148 P CB 0.916 32.934 31.700 0.529 0.000 0.820 149 I N 0.373 121.023 120.570 0.133 0.000 2.500 149 I HA 0.021 4.191 4.170 -0.000 0.000 0.252 149 I C 1.053 177.081 176.117 -0.148 0.000 1.142 149 I CA 1.773 63.098 61.300 0.041 0.000 1.451 149 I CB -0.273 37.724 38.000 -0.006 0.000 1.093 149 I HN 0.697 nan 8.210 nan 0.000 0.430 150 G N -0.496 107.977 108.800 -0.545 0.000 2.260 150 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.250 150 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.250 150 G C -0.957 173.407 174.900 -0.893 0.000 1.340 150 G CA -0.281 44.026 45.100 -1.322 0.000 1.056 150 G HN -0.064 nan 8.290 nan 0.000 0.471 151 V N 0.799 120.331 119.914 -0.636 0.000 2.479 151 V HA 0.366 4.486 4.120 -0.000 0.000 0.281 151 V C 0.830 176.797 176.094 -0.211 0.000 1.031 151 V CA -0.118 61.968 62.300 -0.357 0.000 1.038 151 V CB 0.032 31.725 31.823 -0.216 0.000 0.981 151 V HN 0.841 nan 8.190 nan 0.000 0.478 152 C N 4.351 123.566 119.300 -0.141 0.000 2.358 152 C HA 0.948 5.408 4.460 -0.000 0.000 0.354 152 C C 0.633 175.601 174.990 -0.037 0.000 1.183 152 C CA -0.543 58.443 59.018 -0.053 0.000 2.150 152 C CB 1.013 28.792 27.740 0.064 0.000 2.361 152 C HN 1.029 nan 8.230 nan 0.000 0.535 153 A N 0.647 123.459 122.820 -0.014 0.000 2.515 153 A HA 0.978 5.298 4.320 -0.000 0.000 0.296 153 A C -1.076 176.525 177.584 0.029 0.000 1.094 153 A CA -0.297 51.738 52.037 -0.002 0.000 0.718 153 A CB 1.310 20.301 19.000 -0.014 0.000 1.307 153 A HN 1.741 nan 8.150 nan 0.000 0.408 154 A N 0.949 123.793 122.820 0.040 0.000 2.465 154 A HA 0.664 4.983 4.320 -0.000 0.000 0.292 154 A C -1.242 176.389 177.584 0.079 0.000 1.041 154 A CA -0.248 51.826 52.037 0.063 0.000 0.718 154 A CB 0.696 19.728 19.000 0.054 0.000 1.266 154 A HN 0.768 nan 8.150 nan 0.000 0.403 155 I N 3.354 124.004 120.570 0.135 0.000 2.371 155 I HA 0.323 4.493 4.170 -0.000 0.000 0.282 155 I C 0.571 176.751 176.117 0.105 0.000 1.031 155 I CA -0.287 61.119 61.300 0.177 0.000 1.180 155 I CB 1.625 39.826 38.000 0.335 0.000 1.336 155 I HN 0.737 nan 8.210 nan 0.000 0.467 156 T N 4.114 118.693 114.554 0.041 0.000 2.934 156 T HA 0.625 4.975 4.350 -0.000 0.000 0.283 156 T C -2.468 172.207 174.700 -0.043 0.000 1.005 156 T CA -1.838 60.240 62.100 -0.037 0.000 1.041 156 T CB 1.958 70.817 68.868 -0.015 0.000 1.042 156 T HN 0.240 nan 8.240 nan 0.000 0.505 157 P HA 0.294 nan 4.420 nan 0.000 0.287 157 P C 0.649 177.882 177.300 -0.111 0.000 1.296 157 P CA -0.890 62.094 63.100 -0.194 0.000 0.811 157 P CB 1.076 32.521 31.700 -0.425 0.000 1.211 158 W N 0.845 122.115 121.300 -0.051 0.000 2.942 158 W HA 0.021 4.681 4.660 -0.000 0.000 0.263 158 W C 0.669 177.150 176.519 -0.064 0.000 1.296 158 W CA 0.550 57.868 57.345 -0.045 0.000 1.504 158 W CB -1.729 27.697 29.460 -0.058 0.000 1.096 158 W HN 0.246 nan 8.180 nan 0.000 0.639 159 N N 0.838 119.228 118.700 -0.516 0.000 2.459 159 N HA -0.100 4.640 4.740 -0.000 0.000 0.181 159 N C -0.250 175.055 175.510 -0.341 0.000 1.046 159 N CA 0.827 53.612 53.050 -0.441 0.000 0.904 159 N CB -0.802 37.181 38.487 -0.840 0.000 0.964 159 N HN 0.027 nan 8.380 nan 0.000 0.444 160 F N -0.936 118.946 119.950 -0.113 0.000 2.872 160 F HA 0.392 4.919 4.527 -0.000 0.000 0.365 160 F C -2.055 173.748 175.800 0.004 0.000 1.296 160 F CA -2.010 55.976 58.000 -0.023 0.000 1.199 160 F CB 2.267 41.249 39.000 -0.030 0.000 1.687 160 F HN -0.143 nan 8.300 nan 0.000 0.604 161 P HA -0.075 nan 4.420 nan 0.000 0.226 161 P C 1.141 178.525 177.300 0.140 0.000 1.153 161 P CA 1.091 64.268 63.100 0.129 0.000 0.777 161 P CB 0.458 32.234 31.700 0.126 0.000 0.794 162 A N -0.228 122.693 122.820 0.168 0.000 1.938 162 A HA 0.374 4.694 4.320 -0.000 0.000 0.207 162 A C 2.259 179.933 177.584 0.150 0.000 1.292 162 A CA 0.905 53.039 52.037 0.161 0.000 0.700 162 A CB -1.291 17.805 19.000 0.161 0.000 0.947 162 A HN 0.095 nan 8.150 nan 0.000 0.476 163 A N -0.287 122.660 122.820 0.211 0.000 1.917 163 A HA -0.191 4.128 4.320 -0.000 0.000 0.219 163 A C 2.138 179.695 177.584 -0.046 0.000 1.182 163 A CA 2.159 54.283 52.037 0.145 0.000 0.633 163 A CB -0.598 18.593 19.000 0.319 0.000 0.819 163 A HN 0.400 nan 8.150 nan 0.000 0.448 164 M N -0.479 119.119 119.600 -0.004 0.000 2.267 164 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 164 M C 1.910 178.171 176.300 -0.064 0.000 1.063 164 M CA 1.105 56.352 55.300 -0.089 0.000 1.090 164 M CB -1.092 31.481 32.600 -0.045 0.000 1.392 164 M HN 0.346 nan 8.290 nan 0.000 0.422 165 I N -0.103 120.477 120.570 0.018 0.000 2.233 165 I HA -0.120 4.050 4.170 -0.000 0.000 0.243 165 I C 2.597 178.762 176.117 0.080 0.000 1.093 165 I CA 1.278 62.622 61.300 0.073 0.000 1.380 165 I CB -1.860 36.230 38.000 0.151 0.000 1.067 165 I HN 0.142 nan 8.210 nan 0.000 0.413 166 A N 0.858 123.704 122.820 0.044 0.000 1.933 166 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 166 A C 2.466 180.021 177.584 -0.048 0.000 1.175 166 A CA 1.349 53.395 52.037 0.015 0.000 0.628 166 A CB -0.588 18.401 19.000 -0.018 0.000 0.814 166 A HN 0.333 nan 8.150 nan 0.000 0.444 167 R N -0.595 119.733 120.500 -0.286 0.000 2.148 167 R HA -0.029 4.311 4.340 -0.000 0.000 0.223 167 R C 1.780 177.908 176.300 -0.286 0.000 1.088 167 R CA 1.432 57.235 56.100 -0.496 0.000 0.985 167 R CB -0.074 29.752 30.300 -0.790 0.000 0.880 167 R HN 0.491 nan 8.270 nan 0.000 0.451 168 K N -0.553 119.746 120.400 -0.169 0.000 2.313 168 K HA 0.094 4.414 4.320 -0.000 0.000 0.197 168 K C 1.927 178.462 176.600 -0.109 0.000 1.061 168 K CA 0.377 56.607 56.287 -0.095 0.000 0.980 168 K CB 0.470 32.957 32.500 -0.021 0.000 0.888 168 K HN -0.052 nan 8.250 nan 0.000 0.502 169 V N 1.342 121.241 119.914 -0.025 0.000 2.323 169 V HA -0.119 4.001 4.120 -0.000 0.000 0.244 169 V C 2.419 178.513 176.094 -0.000 0.000 1.041 169 V CA 2.187 64.505 62.300 0.031 0.000 1.025 169 V CB -1.023 30.926 31.823 0.209 0.000 0.656 169 V HN 0.428 nan 8.190 nan 0.000 0.451 170 G N 1.284 110.120 108.800 0.060 0.000 2.599 170 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 170 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 170 G C -0.222 174.559 174.900 -0.197 0.000 1.193 170 G CA 1.564 46.728 45.100 0.106 0.000 0.778 170 G HN 0.540 nan 8.290 nan 0.000 0.589 171 P HA 0.070 nan 4.420 nan 0.000 0.216 171 P C 2.204 179.045 177.300 -0.765 0.000 1.153 171 P CA 1.855 64.318 63.100 -1.062 0.000 0.844 171 P CB -0.198 30.547 31.700 -1.591 0.000 0.787 172 A N -0.193 122.077 122.820 -0.917 0.000 1.851 172 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 172 A C 2.123 179.685 177.584 -0.036 0.000 1.195 172 A CA 1.785 53.540 52.037 -0.470 0.000 0.622 172 A CB -1.782 17.082 19.000 -0.227 0.000 0.831 172 A HN 0.058 nan 8.150 nan 0.000 0.444 173 L N -0.308 120.947 121.223 0.054 0.000 2.042 173 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 173 L C 3.019 180.168 176.870 0.465 0.000 1.076 173 L CA 2.061 57.131 54.840 0.384 0.000 0.749 173 L CB -0.904 41.311 42.059 0.261 0.000 0.893 173 L HN 0.425 nan 8.230 nan 0.000 0.432 174 A N -0.892 122.060 122.820 0.219 0.000 1.933 174 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 174 A C 2.398 180.044 177.584 0.103 0.000 1.175 174 A CA 1.690 53.824 52.037 0.161 0.000 0.628 174 A CB -0.853 18.248 19.000 0.168 0.000 0.814 174 A HN 0.394 nan 8.150 nan 0.000 0.444 175 A N -1.945 120.926 122.820 0.085 0.000 2.119 175 A HA 0.380 4.700 4.320 -0.000 0.000 0.217 175 A C 1.747 179.419 177.584 0.148 0.000 1.153 175 A CA 1.402 53.506 52.037 0.112 0.000 0.692 175 A CB -0.780 18.300 19.000 0.134 0.000 0.799 175 A HN 1.951 nan 8.150 nan 0.000 0.458 176 G N -2.403 106.520 108.800 0.205 0.000 2.145 176 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.176 176 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.176 176 G C -0.131 175.108 174.900 0.565 0.000 1.013 176 G CA -0.204 45.029 45.100 0.221 0.000 0.689 176 G HN 0.619 nan 8.290 nan 0.000 0.506 177 C N 1.528 121.119 119.300 0.485 0.000 2.411 177 C HA 0.840 5.300 4.460 -0.000 0.000 0.330 177 C C -1.631 173.429 174.990 0.117 0.000 1.224 177 C CA -1.442 57.695 59.018 0.198 0.000 1.770 177 C CB 2.065 29.828 27.740 0.039 0.000 2.297 177 C HN 0.430 nan 8.230 nan 0.000 0.507 178 P HA 0.581 nan 4.420 nan 0.000 0.282 178 P C -1.099 176.112 177.300 -0.148 0.000 1.259 178 P CA -0.263 62.732 63.100 -0.176 0.000 0.826 178 P CB 1.489 33.112 31.700 -0.129 0.000 1.064 179 I N 0.318 120.802 120.570 -0.144 0.000 2.722 179 I HA 0.314 4.484 4.170 -0.000 0.000 0.295 179 I C -1.447 174.621 176.117 -0.082 0.000 1.161 179 I CA -1.251 59.995 61.300 -0.089 0.000 1.032 179 I CB 2.415 40.382 38.000 -0.055 0.000 1.244 179 I HN -0.049 nan 8.210 nan 0.000 0.421 180 V N 7.405 127.286 119.914 -0.055 0.000 2.357 180 V HA 0.403 4.523 4.120 -0.000 0.000 0.284 180 V C -0.351 175.736 176.094 -0.013 0.000 1.018 180 V CA -0.550 61.724 62.300 -0.042 0.000 0.841 180 V CB 1.554 33.351 31.823 -0.044 0.000 0.991 180 V HN 0.414 nan 8.190 nan 0.000 0.437 181 V N 5.237 125.150 119.914 -0.002 0.000 2.417 181 V HA 0.442 4.561 4.120 -0.000 0.000 0.291 181 V C 0.134 176.248 176.094 0.034 0.000 1.024 181 V CA -0.841 61.472 62.300 0.022 0.000 0.861 181 V CB 1.741 33.582 31.823 0.030 0.000 0.985 181 V HN 0.804 nan 8.190 nan 0.000 0.436 182 K N 7.742 128.170 120.400 0.048 0.000 2.292 182 K HA 0.444 4.764 4.320 -0.000 0.000 0.270 182 K C -2.608 174.037 176.600 0.075 0.000 1.062 182 K CA -1.637 54.686 56.287 0.061 0.000 0.916 182 K CB 1.899 34.434 32.500 0.060 0.000 1.166 182 K HN 0.402 nan 8.250 nan 0.000 0.458 183 P HA 0.151 nan 4.420 nan 0.000 0.282 183 P C -0.889 176.471 177.300 0.100 0.000 1.287 183 P CA -0.571 62.579 63.100 0.084 0.000 0.792 183 P CB 0.677 32.427 31.700 0.084 0.000 1.163 184 A N 0.792 123.681 122.820 0.115 0.000 2.450 184 A HA 0.103 4.423 4.320 -0.000 0.000 0.255 184 A C 1.176 178.837 177.584 0.128 0.000 1.096 184 A CA -0.075 52.050 52.037 0.148 0.000 0.778 184 A CB -0.406 18.738 19.000 0.240 0.000 1.031 184 A HN 0.477 nan 8.150 nan 0.000 0.494 185 E N 1.686 121.948 120.200 0.102 0.000 2.160 185 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 185 E C 2.016 178.692 176.600 0.127 0.000 0.991 185 E CA 1.845 58.311 56.400 0.110 0.000 0.810 185 E CB -0.173 29.448 29.700 -0.132 0.000 0.742 185 E HN 0.635 nan 8.360 nan 0.000 0.466 186 S N -0.309 115.422 115.700 0.051 0.000 2.383 186 S HA -0.091 4.379 4.470 -0.000 0.000 0.229 186 S C 1.114 175.722 174.600 0.014 0.000 1.030 186 S CA 1.551 59.751 58.200 0.000 0.000 1.002 186 S CB -0.147 62.978 63.200 -0.126 0.000 0.829 186 S HN 0.509 nan 8.310 nan 0.000 0.467 187 T N -1.276 113.307 114.554 0.047 0.000 3.583 187 T HA 0.354 4.704 4.350 -0.000 0.000 0.266 187 T C -2.498 172.202 174.700 0.000 0.000 1.296 187 T CA -1.180 60.941 62.100 0.035 0.000 1.668 187 T CB 1.615 70.557 68.868 0.124 0.000 0.832 187 T HN 0.046 nan 8.240 nan 0.000 0.649 188 P HA 0.179 nan 4.420 nan 0.000 0.234 188 P C 1.061 178.322 177.300 -0.066 0.000 1.175 188 P CA 0.005 63.029 63.100 -0.127 0.000 0.801 188 P CB -0.050 31.510 31.700 -0.233 0.000 0.891 189 F N 1.083 121.048 119.950 0.026 0.000 2.134 189 F HA -0.092 4.435 4.527 -0.000 0.000 0.299 189 F C 2.607 178.424 175.800 0.028 0.000 1.097 189 F CA 1.169 59.162 58.000 -0.011 0.000 1.264 189 F CB -1.682 37.287 39.000 -0.052 0.000 1.001 189 F HN -0.091 nan 8.300 nan 0.000 0.479 190 S N -0.127 115.712 115.700 0.233 0.000 2.383 190 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 190 S C 2.354 177.061 174.600 0.177 0.000 1.030 190 S CA 1.071 59.378 58.200 0.179 0.000 1.002 190 S CB -0.644 62.647 63.200 0.152 0.000 0.829 190 S HN 0.365 nan 8.310 nan 0.000 0.467 191 A N 1.149 124.065 122.820 0.161 0.000 1.898 191 A HA 0.053 4.373 4.320 -0.000 0.000 0.216 191 A C 2.079 179.771 177.584 0.179 0.000 1.181 191 A CA 1.024 53.154 52.037 0.156 0.000 0.620 191 A CB -0.606 18.466 19.000 0.119 0.000 0.819 191 A HN 0.458 nan 8.150 nan 0.000 0.442 192 L N -0.787 120.559 121.223 0.204 0.000 2.093 192 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 192 L C 3.057 180.113 176.870 0.310 0.000 1.085 192 L CA 0.850 55.867 54.840 0.293 0.000 0.755 192 L CB -0.527 41.732 42.059 0.334 0.000 0.904 192 L HN 0.425 nan 8.230 nan 0.000 0.435 193 A N -0.100 122.855 122.820 0.226 0.000 1.940 193 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 193 A C 2.355 180.112 177.584 0.287 0.000 1.176 193 A CA 1.590 53.756 52.037 0.215 0.000 0.631 193 A CB -0.347 18.745 19.000 0.153 0.000 0.814 193 A HN 0.273 nan 8.150 nan 0.000 0.446 194 M N -0.624 119.147 119.600 0.285 0.000 2.099 194 M HA -0.104 4.376 4.480 -0.000 0.000 0.262 194 M C 2.601 179.068 176.300 0.278 0.000 1.067 194 M CA 1.590 57.127 55.300 0.394 0.000 1.124 194 M CB -1.388 31.462 32.600 0.417 0.000 1.353 194 M HN 0.486 nan 8.290 nan 0.000 0.410 195 A N 0.185 123.080 122.820 0.125 0.000 1.883 195 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 195 A C 2.079 179.563 177.584 -0.168 0.000 1.186 195 A CA 1.571 53.509 52.037 -0.165 0.000 0.624 195 A CB -1.154 17.680 19.000 -0.277 0.000 0.822 195 A HN 0.419 nan 8.150 nan 0.000 0.444 196 F N 0.557 120.535 119.950 0.047 0.000 2.095 196 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 196 F C 1.937 177.753 175.800 0.028 0.000 1.104 196 F CA 1.751 59.835 58.000 0.140 0.000 1.232 196 F CB -0.335 38.726 39.000 0.102 0.000 0.987 196 F HN 0.143 nan 8.300 nan 0.000 0.475 197 L N -0.689 120.570 121.223 0.060 0.000 2.156 197 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 197 L C 2.693 179.513 176.870 -0.084 0.000 1.095 197 L CA 0.899 55.762 54.840 0.038 0.000 0.770 197 L CB -1.112 41.132 42.059 0.309 0.000 0.914 197 L HN 0.184 nan 8.230 nan 0.000 0.439 198 A N -0.142 122.418 122.820 -0.432 0.000 1.930 198 A HA -0.238 4.081 4.320 -0.000 0.000 0.217 198 A C 2.286 179.593 177.584 -0.461 0.000 1.175 198 A CA 1.681 53.154 52.037 -0.940 0.000 0.627 198 A CB -0.420 17.755 19.000 -1.375 0.000 0.815 198 A HN 0.456 nan 8.150 nan 0.000 0.443 199 E N -0.218 119.773 120.200 -0.348 0.000 2.051 199 E HA -0.210 4.139 4.350 -0.000 0.000 0.192 199 E C 2.276 178.778 176.600 -0.163 0.000 0.991 199 E CA 0.978 57.260 56.400 -0.196 0.000 0.799 199 E CB -0.147 29.488 29.700 -0.108 0.000 0.748 199 E HN 0.529 nan 8.360 nan 0.000 0.449 200 R N -0.128 120.230 120.500 -0.237 0.000 2.096 200 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 200 R C 2.350 178.605 176.300 -0.075 0.000 1.127 200 R CA 1.000 56.991 56.100 -0.183 0.000 0.968 200 R CB -0.349 29.805 30.300 -0.242 0.000 0.861 200 R HN 0.186 nan 8.270 nan 0.000 0.440 201 A N 0.045 122.835 122.820 -0.050 0.000 2.019 201 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 201 A C 1.420 179.024 177.584 0.032 0.000 1.164 201 A CA 1.575 53.633 52.037 0.036 0.000 0.644 201 A CB -0.248 18.816 19.000 0.107 0.000 0.805 201 A HN 0.515 nan 8.150 nan 0.000 0.449 202 G N -2.090 106.702 108.800 -0.013 0.000 2.181 202 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.152 202 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.152 202 G C -0.091 174.816 174.900 0.012 0.000 1.026 202 G CA -0.169 44.940 45.100 0.015 0.000 0.699 202 G HN 0.737 nan 8.290 nan 0.000 0.497 203 V N 1.787 121.653 119.914 -0.081 0.000 2.479 203 V HA 0.304 4.424 4.120 -0.000 0.000 0.281 203 V C -1.061 174.960 176.094 -0.122 0.000 1.031 203 V CA -0.862 61.337 62.300 -0.168 0.000 1.038 203 V CB 0.906 32.525 31.823 -0.339 0.000 0.981 203 V HN 0.256 nan 8.190 nan 0.000 0.478 204 P HA 0.216 nan 4.420 nan 0.000 0.266 204 P C 0.039 177.282 177.300 -0.095 0.000 1.195 204 P CA -0.055 63.019 63.100 -0.044 0.000 0.768 204 P CB 0.268 31.987 31.700 0.031 0.000 0.838 205 K N 1.880 122.242 120.400 -0.062 0.000 2.530 205 K HA 0.333 4.653 4.320 -0.000 0.000 0.280 205 K C 1.451 177.971 176.600 -0.133 0.000 1.004 205 K CA 0.449 56.671 56.287 -0.108 0.000 1.071 205 K CB -1.409 31.036 32.500 -0.092 0.000 0.876 205 K HN 0.937 nan 8.250 nan 0.000 0.487 206 G N 0.208 108.893 108.800 -0.192 0.000 2.317 206 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.227 206 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.227 206 G C 1.476 176.269 174.900 -0.177 0.000 1.042 206 G CA 0.638 45.637 45.100 -0.169 0.000 0.623 206 G HN 1.192 nan 8.290 nan 0.000 0.509 207 V N 0.391 120.167 119.914 -0.229 0.000 2.490 207 V HA 0.207 4.327 4.120 -0.000 0.000 0.250 207 V C 1.134 177.024 176.094 -0.339 0.000 1.061 207 V CA 2.062 64.140 62.300 -0.370 0.000 1.064 207 V CB -0.112 31.300 31.823 -0.685 0.000 0.670 207 V HN 0.608 nan 8.190 nan 0.000 0.461 208 L N -0.498 120.575 121.223 -0.250 0.000 2.409 208 L HA 0.645 4.985 4.340 -0.000 0.000 0.272 208 L C -0.667 176.167 176.870 -0.060 0.000 0.980 208 L CA 0.163 54.902 54.840 -0.169 0.000 0.826 208 L CB 2.124 44.051 42.059 -0.219 0.000 1.268 208 L HN -0.048 nan 8.230 nan 0.000 0.407 209 S N 3.636 119.299 115.700 -0.062 0.000 2.614 209 S HA 0.707 5.177 4.470 -0.000 0.000 0.288 209 S C -1.125 173.469 174.600 -0.009 0.000 1.137 209 S CA -0.563 57.606 58.200 -0.052 0.000 0.992 209 S CB 1.913 65.041 63.200 -0.120 0.000 1.026 209 S HN 0.372 nan 8.310 nan 0.000 0.486 210 V N 3.889 123.819 119.914 0.027 0.000 2.334 210 V HA 0.444 4.563 4.120 -0.000 0.000 0.281 210 V C -0.356 175.753 176.094 0.025 0.000 1.016 210 V CA -0.592 61.725 62.300 0.029 0.000 0.832 210 V CB 1.337 33.186 31.823 0.043 0.000 0.999 210 V HN 0.696 nan 8.190 nan 0.000 0.439 211 V N 6.781 126.711 119.914 0.027 0.000 2.435 211 V HA 0.567 4.687 4.120 -0.000 0.000 0.290 211 V C -0.202 175.931 176.094 0.065 0.000 1.030 211 V CA -0.451 61.868 62.300 0.032 0.000 0.881 211 V CB 1.794 33.627 31.823 0.017 0.000 0.983 211 V HN 0.690 nan 8.190 nan 0.000 0.445 212 I N 3.694 124.315 120.570 0.084 0.000 2.499 212 I HA 0.834 5.004 4.170 -0.000 0.000 0.288 212 I C 0.587 176.828 176.117 0.207 0.000 1.048 212 I CA 0.118 61.502 61.300 0.140 0.000 1.062 212 I CB 1.869 39.933 38.000 0.107 0.000 1.238 212 I HN 0.870 nan 8.210 nan 0.000 0.426 213 G N 4.435 113.391 108.800 0.260 0.000 2.601 213 G HA2 0.002 3.962 3.960 -0.000 0.000 0.080 213 G HA3 0.002 3.962 3.960 -0.000 0.000 0.080 213 G C -1.766 173.161 174.900 0.044 0.000 1.046 213 G CA -0.522 44.729 45.100 0.251 0.000 1.143 213 G HN 0.432 nan 8.290 nan 0.000 0.507 214 D N 1.557 121.966 120.400 0.015 0.000 2.316 214 D HA 0.564 5.204 4.640 -0.000 0.000 0.245 214 D C -1.246 175.041 176.300 -0.022 0.000 1.171 214 D CA -2.023 51.953 54.000 -0.039 0.000 0.856 214 D CB 2.047 42.834 40.800 -0.022 0.000 1.090 214 D HN -0.053 nan 8.370 nan 0.000 0.476 215 P HA -0.079 nan 4.420 nan 0.000 0.221 215 P C 1.032 178.323 177.300 -0.016 0.000 1.150 215 P CA 1.449 64.543 63.100 -0.010 0.000 0.800 215 P CB 0.189 31.886 31.700 -0.005 0.000 0.787 216 K N -0.027 120.359 120.400 -0.024 0.000 2.116 216 K HA 0.166 4.486 4.320 -0.000 0.000 0.203 216 K C 2.211 178.798 176.600 -0.022 0.000 1.052 216 K CA 1.450 57.721 56.287 -0.026 0.000 0.952 216 K CB -1.569 30.916 32.500 -0.025 0.000 0.729 216 K HN 0.155 nan 8.250 nan 0.000 0.446 217 A N 0.924 123.735 122.820 -0.015 0.000 1.854 217 A HA 0.090 4.410 4.320 -0.000 0.000 0.214 217 A C 2.452 180.032 177.584 -0.008 0.000 1.192 217 A CA 1.486 53.517 52.037 -0.010 0.000 0.611 217 A CB -0.286 18.712 19.000 -0.003 0.000 0.832 217 A HN 0.443 nan 8.150 nan 0.000 0.442 218 I N -0.222 120.347 120.570 -0.002 0.000 2.163 218 I HA -0.159 4.011 4.170 -0.000 0.000 0.240 218 I C 2.764 178.876 176.117 -0.008 0.000 1.081 218 I CA 1.119 62.419 61.300 0.001 0.000 1.353 218 I CB -0.768 37.242 38.000 0.016 0.000 1.054 218 I HN 0.379 nan 8.210 nan 0.000 0.407 219 G N 0.266 109.058 108.800 -0.014 0.000 2.469 219 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 219 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 219 G C 1.671 176.545 174.900 -0.043 0.000 1.150 219 G CA 1.696 46.776 45.100 -0.034 0.000 0.763 219 G HN 0.300 nan 8.290 nan 0.000 0.561 220 T N 0.362 114.894 114.554 -0.036 0.000 2.821 220 T HA -0.055 4.295 4.350 -0.000 0.000 0.267 220 T C 2.218 176.900 174.700 -0.029 0.000 1.046 220 T CA 1.593 63.672 62.100 -0.035 0.000 1.139 220 T CB -0.103 68.748 68.868 -0.028 0.000 0.871 220 T HN 0.385 nan 8.240 nan 0.000 0.454 221 E N 1.308 121.494 120.200 -0.023 0.000 2.031 221 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 221 E C 2.030 178.615 176.600 -0.024 0.000 0.994 221 E CA 1.114 57.502 56.400 -0.020 0.000 0.800 221 E CB -0.601 29.090 29.700 -0.015 0.000 0.752 221 E HN 0.491 nan 8.360 nan 0.000 0.447 222 I N 0.614 121.169 120.570 -0.025 0.000 2.194 222 I HA -0.321 3.849 4.170 -0.000 0.000 0.246 222 I C 2.269 178.365 176.117 -0.035 0.000 1.093 222 I CA 1.961 63.244 61.300 -0.028 0.000 1.355 222 I CB -0.610 37.376 38.000 -0.023 0.000 1.046 222 I HN 0.327 nan 8.210 nan 0.000 0.413 223 T N -2.958 111.572 114.554 -0.040 0.000 3.043 223 T HA -0.012 4.338 4.350 -0.000 0.000 0.263 223 T C 1.702 176.380 174.700 -0.036 0.000 1.094 223 T CA 0.837 62.910 62.100 -0.045 0.000 1.127 223 T CB -0.226 68.607 68.868 -0.059 0.000 0.905 223 T HN 0.419 nan 8.240 nan 0.000 0.490 224 S N 0.540 116.222 115.700 -0.031 0.000 2.503 224 S HA 0.160 4.630 4.470 -0.000 0.000 0.215 224 S C 0.851 175.438 174.600 -0.021 0.000 1.003 224 S CA -0.539 57.647 58.200 -0.025 0.000 0.910 224 S CB -0.505 62.682 63.200 -0.022 0.000 0.790 224 S HN 0.392 nan 8.310 nan 0.000 0.514 225 N N 3.740 122.427 118.700 -0.023 0.000 2.405 225 N HA 0.213 4.953 4.740 -0.000 0.000 0.260 225 N C -1.918 173.580 175.510 -0.021 0.000 1.152 225 N CA -1.542 51.496 53.050 -0.020 0.000 0.948 225 N CB 1.473 39.947 38.487 -0.022 0.000 1.111 225 N HN 0.130 nan 8.380 nan 0.000 0.485 226 P HA -0.037 nan 4.420 nan 0.000 0.230 226 P C 1.388 178.681 177.300 -0.012 0.000 1.158 226 P CA 0.704 63.797 63.100 -0.011 0.000 0.769 226 P CB 0.432 32.130 31.700 -0.003 0.000 0.807 227 I N -0.841 119.721 120.570 -0.014 0.000 2.353 227 I HA -0.085 4.085 4.170 -0.000 0.000 0.248 227 I C 0.855 176.943 176.117 -0.048 0.000 1.119 227 I CA 0.538 61.828 61.300 -0.017 0.000 1.417 227 I CB -0.250 37.744 38.000 -0.009 0.000 1.078 227 I HN -0.267 nan 8.210 nan 0.000 0.421 228 V N 2.566 122.449 119.914 -0.051 0.000 2.446 228 V HA 0.022 4.142 4.120 -0.000 0.000 0.276 228 V C 1.252 177.305 176.094 -0.069 0.000 1.030 228 V CA 0.473 62.732 62.300 -0.069 0.000 1.033 228 V CB 0.687 32.477 31.823 -0.055 0.000 0.993 228 V HN 0.304 nan 8.190 nan 0.000 0.477 229 R N 2.945 123.388 120.500 -0.096 0.000 2.254 229 R HA 0.173 4.513 4.340 -0.000 0.000 0.193 229 R C 0.448 176.698 176.300 -0.084 0.000 0.929 229 R CA 0.165 56.215 56.100 -0.084 0.000 1.038 229 R CB 0.474 30.713 30.300 -0.102 0.000 1.009 229 R HN 0.740 nan 8.270 nan 0.000 0.512 230 K N 0.387 120.729 120.400 -0.098 0.000 2.498 230 K HA 0.366 4.686 4.320 -0.000 0.000 0.254 230 K C -1.807 174.739 176.600 -0.091 0.000 0.933 230 K CA -0.887 55.335 56.287 -0.109 0.000 0.806 230 K CB 1.939 34.340 32.500 -0.164 0.000 1.301 230 K HN -0.117 nan 8.250 nan 0.000 0.432 231 L N 1.579 122.753 121.223 -0.081 0.000 2.386 231 L HA 0.614 4.954 4.340 -0.000 0.000 0.271 231 L C -1.374 175.479 176.870 -0.028 0.000 0.993 231 L CA -0.019 54.798 54.840 -0.038 0.000 0.819 231 L CB 2.314 44.358 42.059 -0.024 0.000 1.294 231 L HN 0.796 nan 8.230 nan 0.000 0.414 232 S N 4.171 119.880 115.700 0.015 0.000 2.472 232 S HA 0.771 5.241 4.470 -0.000 0.000 0.303 232 S C -1.377 173.309 174.600 0.143 0.000 1.099 232 S CA -0.379 57.846 58.200 0.042 0.000 1.077 232 S CB 0.583 63.801 63.200 0.030 0.000 1.031 232 S HN 0.519 nan 8.310 nan 0.000 0.487 233 F N 3.303 123.237 119.950 -0.026 0.000 2.557 233 F HA 0.561 5.088 4.527 -0.000 0.000 0.316 233 F C -0.789 175.000 175.800 -0.018 0.000 1.141 233 F CA -0.263 57.726 58.000 -0.019 0.000 0.922 233 F CB 1.912 40.903 39.000 -0.014 0.000 1.194 233 F HN 0.440 nan 8.300 nan 0.000 0.443 234 T N 5.110 119.200 114.554 -0.772 0.000 2.833 234 T HA 0.777 5.127 4.350 -0.000 0.000 0.297 234 T C 0.024 174.101 174.700 -1.039 0.000 1.015 234 T CA -0.241 61.418 62.100 -0.735 0.000 0.963 234 T CB 0.992 69.639 68.868 -0.368 0.000 0.955 234 T HN 1.051 nan 8.240 nan 0.000 0.449 235 G N 1.954 110.139 108.800 -1.024 0.000 2.512 235 G HA2 0.515 4.475 3.960 -0.000 0.000 0.186 235 G HA3 0.515 4.475 3.960 -0.000 0.000 0.186 235 G C -0.625 174.170 174.900 -0.175 0.000 1.189 235 G CA -0.348 44.393 45.100 -0.599 0.000 0.994 235 G HN 0.812 nan 8.290 nan 0.000 0.506 236 S N -0.297 115.467 115.700 0.107 0.000 2.580 236 S HA 0.438 4.908 4.470 -0.000 0.000 0.274 236 S C 1.320 176.072 174.600 0.253 0.000 1.329 236 S CA 0.963 59.267 58.200 0.173 0.000 1.036 236 S CB 1.334 64.649 63.200 0.193 0.000 0.919 236 S HN 0.702 nan 8.310 nan 0.000 0.515 237 T N 2.713 117.380 114.554 0.189 0.000 2.720 237 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 237 T C 2.178 177.001 174.700 0.204 0.000 1.037 237 T CA 1.688 63.923 62.100 0.226 0.000 1.144 237 T CB -0.896 68.163 68.868 0.318 0.000 0.864 237 T HN 0.860 nan 8.240 nan 0.000 0.444 238 A N 0.979 123.909 122.820 0.185 0.000 1.883 238 A HA -0.080 4.239 4.320 -0.000 0.000 0.217 238 A C 2.617 180.256 177.584 0.091 0.000 1.186 238 A CA 1.619 53.735 52.037 0.131 0.000 0.624 238 A CB -1.078 17.996 19.000 0.123 0.000 0.822 238 A HN 0.362 nan 8.150 nan 0.000 0.444 239 V N -0.149 119.833 119.914 0.114 0.000 2.358 239 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 239 V C 2.824 178.828 176.094 -0.151 0.000 1.047 239 V CA 1.842 64.140 62.300 -0.003 0.000 1.035 239 V CB -1.429 30.434 31.823 0.066 0.000 0.658 239 V HN 0.630 nan 8.190 nan 0.000 0.452 240 G N -0.176 108.658 108.800 0.057 0.000 2.442 240 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.219 240 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.219 240 G C 1.748 176.643 174.900 -0.008 0.000 1.141 240 G CA 0.812 45.939 45.100 0.044 0.000 0.763 240 G HN 0.436 nan 8.290 nan 0.000 0.554 241 R N -0.356 120.160 120.500 0.026 0.000 2.096 241 R HA 0.092 4.432 4.340 -0.000 0.000 0.235 241 R C 2.563 178.844 176.300 -0.031 0.000 1.127 241 R CA 0.868 56.974 56.100 0.010 0.000 0.968 241 R CB -0.340 29.978 30.300 0.031 0.000 0.861 241 R HN 0.352 nan 8.270 nan 0.000 0.440 242 L N 0.167 121.354 121.223 -0.060 0.000 2.109 242 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 242 L C 2.189 178.993 176.870 -0.111 0.000 1.086 242 L CA 0.897 55.691 54.840 -0.076 0.000 0.760 242 L CB -0.316 41.697 42.059 -0.077 0.000 0.910 242 L HN 0.186 nan 8.230 nan 0.000 0.437 243 L N -0.820 120.294 121.223 -0.181 0.000 2.141 243 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 243 L C 2.626 179.428 176.870 -0.114 0.000 1.094 243 L CA 1.107 55.826 54.840 -0.200 0.000 0.763 243 L CB -0.269 41.570 42.059 -0.366 0.000 0.908 243 L HN 0.335 nan 8.230 nan 0.000 0.437 244 M N -0.315 119.236 119.600 -0.081 0.000 2.117 244 M HA -0.199 4.280 4.480 -0.000 0.000 0.262 244 M C 2.334 178.610 176.300 -0.041 0.000 1.065 244 M CA 1.983 57.256 55.300 -0.044 0.000 1.114 244 M CB -0.078 32.510 32.600 -0.021 0.000 1.361 244 M HN 0.235 nan 8.290 nan 0.000 0.408 245 A N -0.144 122.650 122.820 -0.043 0.000 1.902 245 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 245 A C 1.917 179.478 177.584 -0.038 0.000 1.181 245 A CA 1.841 53.857 52.037 -0.035 0.000 0.623 245 A CB -0.736 18.245 19.000 -0.032 0.000 0.818 245 A HN 0.709 nan 8.150 nan 0.000 0.443 246 Q N -0.413 119.357 119.800 -0.050 0.000 2.311 246 Q HA 0.017 4.357 4.340 -0.000 0.000 0.203 246 Q C 1.896 177.870 176.000 -0.043 0.000 0.954 246 Q CA 1.204 56.979 55.803 -0.048 0.000 0.885 246 Q CB 0.062 28.764 28.738 -0.059 0.000 0.963 246 Q HN 0.587 nan 8.270 nan 0.000 0.471 247 S N 0.302 115.975 115.700 -0.046 0.000 2.528 247 S HA 0.089 4.559 4.470 -0.000 0.000 0.219 247 S C 1.825 176.407 174.600 -0.030 0.000 0.985 247 S CA 0.427 58.603 58.200 -0.039 0.000 0.914 247 S CB 0.163 63.337 63.200 -0.043 0.000 0.776 247 S HN 0.441 nan 8.310 nan 0.000 0.526 248 A N 2.795 125.599 122.820 -0.027 0.000 1.902 248 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 248 A C -0.085 177.489 177.584 -0.017 0.000 1.181 248 A CA 1.194 53.219 52.037 -0.021 0.000 0.623 248 A CB -1.786 17.203 19.000 -0.019 0.000 0.818 248 A HN 0.361 nan 8.150 nan 0.000 0.443 249 P HA -0.112 nan 4.420 nan 0.000 0.217 249 P C 1.146 178.439 177.300 -0.012 0.000 1.148 249 P CA 1.958 65.049 63.100 -0.014 0.000 0.828 249 P CB -0.165 31.526 31.700 -0.015 0.000 0.783 250 T N -5.506 109.039 114.554 -0.015 0.000 3.174 250 T HA 0.223 4.573 4.350 -0.000 0.000 0.269 250 T C 0.535 175.227 174.700 -0.014 0.000 1.017 250 T CA -0.415 61.677 62.100 -0.013 0.000 0.899 250 T CB -0.853 68.006 68.868 -0.015 0.000 1.077 250 T HN -0.171 nan 8.240 nan 0.000 0.552 251 V N 1.259 121.165 119.914 -0.015 0.000 5.175 251 V HA -0.245 3.875 4.120 -0.000 0.000 0.279 251 V C 0.551 176.633 176.094 -0.019 0.000 0.571 251 V CA 0.947 63.239 62.300 -0.014 0.000 0.694 251 V CB -2.027 29.792 31.823 -0.007 0.000 0.525 251 V HN 0.709 nan 8.190 nan 0.000 1.093 252 K N 0.459 120.843 120.400 -0.026 0.000 2.355 252 K HA 0.244 4.564 4.320 -0.000 0.000 0.270 252 K C 0.375 176.951 176.600 -0.040 0.000 1.003 252 K CA -0.361 55.904 56.287 -0.036 0.000 0.957 252 K CB 0.697 33.172 32.500 -0.042 0.000 0.939 252 K HN 0.341 nan 8.250 nan 0.000 0.482 253 K N 2.412 122.781 120.400 -0.052 0.000 2.379 253 K HA 0.091 4.411 4.320 -0.000 0.000 0.284 253 K C -0.921 175.631 176.600 -0.080 0.000 1.044 253 K CA -0.309 55.940 56.287 -0.063 0.000 0.974 253 K CB 0.338 32.791 32.500 -0.078 0.000 0.962 253 K HN 0.201 nan 8.250 nan 0.000 0.474 254 L N 3.363 124.549 121.223 -0.063 0.000 2.346 254 L HA 0.397 4.737 4.340 -0.000 0.000 0.276 254 L C -0.420 176.419 176.870 -0.052 0.000 1.006 254 L CA -0.187 54.623 54.840 -0.050 0.000 0.817 254 L CB 1.987 44.034 42.059 -0.021 0.000 1.272 254 L HN 0.610 nan 8.230 nan 0.000 0.421 255 T N 4.884 119.407 114.554 -0.051 0.000 2.779 255 T HA 0.702 5.052 4.350 -0.000 0.000 0.280 255 T C -0.380 174.342 174.700 0.036 0.000 0.987 255 T CA -0.338 61.747 62.100 -0.026 0.000 0.966 255 T CB 0.788 69.621 68.868 -0.058 0.000 0.933 255 T HN 0.266 nan 8.240 nan 0.000 0.442 256 L N 3.157 124.412 121.223 0.053 0.000 2.376 256 L HA 0.511 4.851 4.340 -0.000 0.000 0.275 256 L C -0.017 176.890 176.870 0.062 0.000 0.987 256 L CA -0.640 54.260 54.840 0.101 0.000 0.828 256 L CB 2.123 44.257 42.059 0.124 0.000 1.249 256 L HN 0.582 nan 8.230 nan 0.000 0.409 257 E N 3.984 124.194 120.200 0.016 0.000 2.256 257 E HA 0.509 4.859 4.350 -0.000 0.000 0.243 257 E C -0.834 175.735 176.600 -0.051 0.000 0.925 257 E CA -0.179 56.220 56.400 -0.002 0.000 0.748 257 E CB 0.950 30.636 29.700 -0.024 0.000 1.206 257 E HN 0.455 nan 8.360 nan 0.000 0.428 258 L N 0.696 121.927 121.223 0.013 0.000 2.693 258 L HA 0.652 4.992 4.340 -0.000 0.000 0.253 258 L C 1.113 177.971 176.870 -0.019 0.000 1.155 258 L CA -1.346 53.507 54.840 0.022 0.000 1.026 258 L CB 0.342 42.467 42.059 0.110 0.000 1.817 258 L HN 0.424 nan 8.230 nan 0.000 0.556 259 G N -1.079 107.670 108.800 -0.085 0.000 2.554 259 G HA2 0.423 4.383 3.960 -0.000 0.000 0.238 259 G HA3 0.423 4.383 3.960 -0.000 0.000 0.238 259 G C -0.145 174.515 174.900 -0.399 0.000 1.259 259 G CA 0.313 45.227 45.100 -0.309 0.000 0.843 259 G HN 0.733 nan 8.290 nan 0.000 0.582 260 G N -0.771 107.828 108.800 -0.336 0.000 3.107 260 G HA2 0.475 4.435 3.960 -0.000 0.000 0.232 260 G HA3 0.475 4.435 3.960 -0.000 0.000 0.232 260 G C -0.284 174.516 174.900 -0.167 0.000 1.339 260 G CA -0.499 44.512 45.100 -0.149 0.000 1.033 260 G HN 0.737 nan 8.290 nan 0.000 0.567 261 N N -1.207 117.545 118.700 0.086 0.000 2.657 261 N HA 0.198 4.938 4.740 -0.000 0.000 0.234 261 N C -0.040 175.554 175.510 0.140 0.000 1.433 261 N CA 0.019 53.143 53.050 0.123 0.000 1.078 261 N CB 0.230 38.892 38.487 0.291 0.000 1.508 261 N HN 0.738 nan 8.380 nan 0.000 0.547 262 A N 1.950 124.810 122.820 0.067 0.000 2.550 262 A HA 0.244 4.564 4.320 -0.000 0.000 0.263 262 A C -2.128 175.440 177.584 -0.026 0.000 1.065 262 A CA -0.105 51.925 52.037 -0.013 0.000 0.786 262 A CB -0.398 18.659 19.000 0.093 0.000 0.985 262 A HN 0.297 nan 8.150 nan 0.000 0.518 263 P HA 0.376 nan 4.420 nan 0.000 0.279 263 P C -0.862 176.464 177.300 0.044 0.000 1.239 263 P CA -0.081 63.020 63.100 0.001 0.000 0.789 263 P CB 0.644 32.279 31.700 -0.108 0.000 0.933 264 F N 3.492 123.402 119.950 -0.066 0.000 2.499 264 F HA 0.535 5.062 4.527 -0.000 0.000 0.333 264 F C -0.865 174.984 175.800 0.082 0.000 1.138 264 F CA -1.004 56.981 58.000 -0.023 0.000 0.945 264 F CB 0.832 39.634 39.000 -0.331 0.000 1.181 264 F HN 0.081 nan 8.300 nan 0.000 0.435 265 I N 7.263 127.830 120.570 -0.004 0.000 2.355 265 I HA 0.320 4.490 4.170 -0.000 0.000 0.288 265 I C -0.967 175.178 176.117 0.048 0.000 0.999 265 I CA -0.815 60.484 61.300 -0.001 0.000 1.163 265 I CB 1.606 39.470 38.000 -0.227 0.000 1.316 265 I HN 0.256 nan 8.210 nan 0.000 0.454 266 V N 7.184 127.171 119.914 0.122 0.000 2.311 266 V HA 0.331 4.451 4.120 -0.000 0.000 0.275 266 V C -0.056 176.135 176.094 0.162 0.000 1.022 266 V CA -0.501 61.842 62.300 0.071 0.000 0.830 266 V CB 0.427 32.056 31.823 -0.324 0.000 1.012 266 V HN 0.367 nan 8.190 nan 0.000 0.452 267 F N 2.508 122.614 119.950 0.260 0.000 2.382 267 F HA 0.214 4.741 4.527 -0.000 0.000 0.331 267 F C 1.699 177.547 175.800 0.080 0.000 1.121 267 F CA 0.113 58.280 58.000 0.279 0.000 1.183 267 F CB 0.766 39.895 39.000 0.215 0.000 1.207 267 F HN 0.673 nan 8.300 nan 0.000 0.555 268 D N 1.217 121.698 120.400 0.136 0.000 3.048 268 D HA -0.339 4.301 4.640 -0.000 0.000 0.192 268 D C 1.352 177.650 176.300 -0.002 0.000 1.125 268 D CA 2.533 56.409 54.000 -0.207 0.000 0.878 268 D CB -0.188 40.338 40.800 -0.456 0.000 0.924 268 D HN 0.653 nan 8.370 nan 0.000 0.496 269 D N -0.894 119.557 120.400 0.084 0.000 2.395 269 D HA 0.209 4.849 4.640 -0.000 0.000 0.213 269 D C 0.289 176.660 176.300 0.117 0.000 1.110 269 D CA 0.167 54.208 54.000 0.068 0.000 0.835 269 D CB -0.458 40.356 40.800 0.023 0.000 0.965 269 D HN 0.359 nan 8.370 nan 0.000 0.505 270 A N 0.850 123.780 122.820 0.184 0.000 2.466 270 A HA 0.075 4.395 4.320 -0.000 0.000 0.238 270 A C 0.364 178.055 177.584 0.178 0.000 1.074 270 A CA -0.160 52.010 52.037 0.222 0.000 0.774 270 A CB 0.193 19.359 19.000 0.276 0.000 1.015 270 A HN 0.212 nan 8.150 nan 0.000 0.498 271 D N 1.782 122.305 120.400 0.205 0.000 2.346 271 D HA 0.096 4.736 4.640 -0.000 0.000 0.260 271 D C 0.800 177.191 176.300 0.151 0.000 1.252 271 D CA -0.331 53.769 54.000 0.166 0.000 0.895 271 D CB 0.524 41.429 40.800 0.175 0.000 1.097 271 D HN 0.281 nan 8.370 nan 0.000 0.489 272 L N 4.522 125.824 121.223 0.132 0.000 2.017 272 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 272 L C 2.025 178.972 176.870 0.129 0.000 1.073 272 L CA 1.475 56.410 54.840 0.157 0.000 0.745 272 L CB -0.575 41.578 42.059 0.158 0.000 0.894 272 L HN 0.497 nan 8.230 nan 0.000 0.432 273 D N -0.606 119.846 120.400 0.086 0.000 2.104 273 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 273 D C 2.071 178.403 176.300 0.054 0.000 0.994 273 D CA 1.678 55.710 54.000 0.054 0.000 0.830 273 D CB 0.119 40.947 40.800 0.048 0.000 0.959 273 D HN 0.365 nan 8.370 nan 0.000 0.452 274 A N 1.303 124.172 122.820 0.081 0.000 1.933 274 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 274 A C 2.352 179.906 177.584 -0.050 0.000 1.175 274 A CA 2.045 54.151 52.037 0.114 0.000 0.628 274 A CB -0.570 18.576 19.000 0.244 0.000 0.814 274 A HN 0.253 nan 8.150 nan 0.000 0.444 275 A N -0.619 122.017 122.820 -0.306 0.000 1.933 275 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 275 A C 2.213 179.808 177.584 0.019 0.000 1.175 275 A CA 1.765 53.414 52.037 -0.647 0.000 0.628 275 A CB -0.802 17.983 19.000 -0.358 0.000 0.814 275 A HN 0.367 nan 8.150 nan 0.000 0.444 276 V N -0.042 119.927 119.914 0.091 0.000 2.358 276 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 276 V C 3.116 179.207 176.094 -0.006 0.000 1.047 276 V CA 2.521 64.817 62.300 -0.006 0.000 1.035 276 V CB -1.222 30.533 31.823 -0.114 0.000 0.658 276 V HN 0.787 nan 8.190 nan 0.000 0.452 277 E N 0.404 120.621 120.200 0.028 0.000 2.085 277 E HA -0.228 4.121 4.350 -0.000 0.000 0.194 277 E C 2.258 178.922 176.600 0.107 0.000 0.994 277 E CA 1.699 58.136 56.400 0.062 0.000 0.801 277 E CB -1.292 28.459 29.700 0.086 0.000 0.743 277 E HN 0.672 nan 8.360 nan 0.000 0.453 278 G N -0.517 108.385 108.800 0.170 0.000 2.572 278 G HA2 0.213 4.173 3.960 -0.000 0.000 0.216 278 G HA3 0.213 4.173 3.960 -0.000 0.000 0.216 278 G C 1.830 176.860 174.900 0.217 0.000 1.133 278 G CA 1.234 46.518 45.100 0.307 0.000 0.791 278 G HN 0.815 nan 8.290 nan 0.000 0.538 279 A N 0.938 123.765 122.820 0.012 0.000 1.930 279 A HA 0.186 4.506 4.320 -0.000 0.000 0.215 279 A C 2.247 179.827 177.584 -0.007 0.000 1.176 279 A CA 0.750 52.645 52.037 -0.237 0.000 0.632 279 A CB -0.161 18.718 19.000 -0.201 0.000 0.819 279 A HN 0.231 nan 8.150 nan 0.000 0.445 280 I N 0.350 120.959 120.570 0.065 0.000 2.179 280 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 280 I C 2.923 179.135 176.117 0.159 0.000 1.088 280 I CA 1.466 62.875 61.300 0.182 0.000 1.357 280 I CB -1.630 36.423 38.000 0.089 0.000 1.051 280 I HN 0.350 nan 8.210 nan 0.000 0.409 281 A N 0.848 123.724 122.820 0.093 0.000 1.902 281 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 281 A C 2.455 180.056 177.584 0.028 0.000 1.181 281 A CA 2.333 54.416 52.037 0.077 0.000 0.623 281 A CB -0.814 18.236 19.000 0.083 0.000 0.818 281 A HN 0.547 nan 8.150 nan 0.000 0.443 282 S N -1.744 113.923 115.700 -0.056 0.000 2.562 282 S HA 0.066 4.536 4.470 -0.000 0.000 0.221 282 S C 1.495 176.000 174.600 -0.159 0.000 0.975 282 S CA 1.256 59.347 58.200 -0.181 0.000 0.918 282 S CB 0.127 63.013 63.200 -0.523 0.000 0.772 282 S HN 0.436 nan 8.310 nan 0.000 0.531 283 K N -0.339 119.966 120.400 -0.158 0.000 2.424 283 K HA 0.367 4.687 4.320 -0.000 0.000 0.198 283 K C 0.556 176.885 176.600 -0.452 0.000 1.190 283 K CA 0.410 56.497 56.287 -0.334 0.000 0.935 283 K CB -0.021 32.222 32.500 -0.428 0.000 1.087 283 K HN 0.385 nan 8.250 nan 0.000 0.524 284 Y N 0.485 120.815 120.300 0.050 0.000 2.430 284 Y HA 0.312 4.862 4.550 -0.000 0.000 0.254 284 Y C 0.065 175.998 175.900 0.054 0.000 1.088 284 Y CA -0.476 57.656 58.100 0.053 0.000 1.267 284 Y CB 0.208 38.689 38.460 0.034 0.000 1.204 284 Y HN -0.099 nan 8.280 nan 0.000 0.515 285 R N 1.173 121.773 120.500 0.166 0.000 2.590 285 R HA 0.047 4.387 4.340 -0.000 0.000 0.274 285 R C 0.472 176.837 176.300 0.109 0.000 1.061 285 R CA 0.416 56.592 56.100 0.126 0.000 1.081 285 R CB -0.036 30.331 30.300 0.111 0.000 0.984 285 R HN 0.208 nan 8.270 nan 0.000 0.448 286 N N 1.376 120.118 118.700 0.070 0.000 2.693 286 N HA -0.303 4.437 4.740 -0.000 0.000 0.249 286 N C -0.782 174.771 175.510 0.071 0.000 1.119 286 N CA 1.390 54.451 53.050 0.017 0.000 0.717 286 N CB -1.124 37.325 38.487 -0.063 0.000 1.071 286 N HN 0.961 nan 8.380 nan 0.000 0.555 287 N N -1.277 117.491 118.700 0.114 0.000 2.714 287 N HA -0.184 4.556 4.740 -0.000 0.000 0.250 287 N C 0.731 176.323 175.510 0.137 0.000 1.117 287 N CA 2.371 55.512 53.050 0.152 0.000 0.719 287 N CB -1.474 37.084 38.487 0.119 0.000 1.081 287 N HN 1.289 nan 8.380 nan 0.000 0.557 288 G N -1.335 107.525 108.800 0.100 0.000 2.147 288 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.244 288 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.244 288 G C 0.498 175.499 174.900 0.168 0.000 1.005 288 G CA 0.641 45.781 45.100 0.067 0.000 0.713 288 G HN 0.606 nan 8.290 nan 0.000 0.515 289 Q N -0.067 119.842 119.800 0.182 0.000 2.319 289 Q HA 0.151 4.491 4.340 -0.000 0.000 0.202 289 Q C 1.652 177.726 176.000 0.124 0.000 0.896 289 Q CA 0.678 56.612 55.803 0.220 0.000 0.942 289 Q CB 0.503 29.374 28.738 0.222 0.000 1.083 289 Q HN 0.757 nan 8.270 nan 0.000 0.510 290 T N -2.918 111.748 114.554 0.187 0.000 2.813 290 T HA 0.026 4.376 4.350 -0.000 0.000 0.297 290 T C 1.428 176.266 174.700 0.230 0.000 1.036 290 T CA -0.625 61.616 62.100 0.236 0.000 1.044 290 T CB 1.199 70.268 68.868 0.335 0.000 0.993 290 T HN 0.233 nan 8.240 nan 0.000 0.535 291 C N 1.266 120.677 119.300 0.184 0.000 2.425 291 C HA -0.003 4.457 4.460 -0.000 0.000 0.277 291 C C 2.711 177.822 174.990 0.202 0.000 1.280 291 C CA 0.485 59.621 59.018 0.197 0.000 1.744 291 C CB -1.740 26.109 27.740 0.182 0.000 1.989 291 C HN 0.873 nan 8.230 nan 0.000 0.491 292 V N -2.273 117.778 119.914 0.228 0.000 3.649 292 V HA 0.186 4.305 4.120 -0.000 0.000 0.275 292 V C 0.900 177.143 176.094 0.248 0.000 1.281 292 V CA -0.416 62.017 62.300 0.221 0.000 1.143 292 V CB -1.875 30.115 31.823 0.277 0.000 0.892 292 V HN 0.561 nan 8.190 nan 0.000 0.441 293 C N 2.259 121.671 119.300 0.186 0.000 2.653 293 C HA 0.307 4.766 4.460 -0.000 0.000 0.421 293 C C 1.469 176.501 174.990 0.069 0.000 1.334 293 C CA 0.293 59.381 59.018 0.116 0.000 1.885 293 C CB -0.180 27.613 27.740 0.089 0.000 2.645 293 C HN 0.605 nan 8.230 nan 0.000 0.601 294 T N 3.848 118.394 114.554 -0.014 0.000 2.905 294 T HA -0.062 4.288 4.350 -0.000 0.000 0.299 294 T C 0.958 175.570 174.700 -0.146 0.000 1.024 294 T CA 0.827 62.850 62.100 -0.129 0.000 1.151 294 T CB 0.080 68.657 68.868 -0.484 0.000 0.987 294 T HN 0.823 nan 8.240 nan 0.000 0.535 295 N N 2.033 120.669 118.700 -0.106 0.000 2.257 295 N HA 0.119 4.859 4.740 -0.000 0.000 0.200 295 N C -0.251 175.260 175.510 0.002 0.000 1.163 295 N CA 0.013 53.028 53.050 -0.060 0.000 0.891 295 N CB 0.650 39.105 38.487 -0.054 0.000 1.067 295 N HN 0.460 nan 8.380 nan 0.000 0.497 296 R N -0.115 120.362 120.500 -0.040 0.000 2.510 296 R HA 0.270 4.610 4.340 -0.000 0.000 0.287 296 R C -1.632 174.628 176.300 -0.066 0.000 1.084 296 R CA -0.560 55.569 56.100 0.048 0.000 0.934 296 R CB 1.096 31.331 30.300 -0.108 0.000 1.201 296 R HN -0.050 nan 8.270 nan 0.000 0.431 297 F N 2.733 122.764 119.950 0.134 0.000 2.408 297 F HA 0.438 4.965 4.527 -0.000 0.000 0.344 297 F C -0.127 175.699 175.800 0.043 0.000 1.112 297 F CA -0.299 57.797 58.000 0.160 0.000 1.096 297 F CB 0.870 39.964 39.000 0.156 0.000 1.129 297 F HN 0.312 nan 8.300 nan 0.000 0.486 298 F N 3.142 123.316 119.950 0.375 0.000 2.427 298 F HA 0.610 5.137 4.527 -0.000 0.000 0.348 298 F C -0.582 175.482 175.800 0.441 0.000 1.125 298 F CA -0.964 57.237 58.000 0.336 0.000 0.989 298 F CB 1.456 40.432 39.000 -0.041 0.000 1.165 298 F HN 0.009 nan 8.300 nan 0.000 0.442 299 V N 2.680 122.985 119.914 0.652 0.000 2.656 299 V HA 0.295 4.415 4.120 -0.000 0.000 0.307 299 V C -0.199 175.950 176.094 0.091 0.000 1.051 299 V CA -0.997 61.519 62.300 0.361 0.000 0.893 299 V CB 1.643 33.556 31.823 0.149 0.000 0.999 299 V HN 0.613 nan 8.190 nan 0.000 0.426 300 H N 2.819 121.666 119.070 -0.372 0.000 2.764 300 H HA 0.149 4.705 4.556 -0.000 0.000 0.341 300 H C 1.189 176.378 175.328 -0.232 0.000 1.072 300 H CA 0.553 56.144 56.048 -0.761 0.000 1.444 300 H CB 1.143 30.608 29.762 -0.495 0.000 1.458 300 H HN 0.864 nan 8.280 nan 0.000 0.572 301 E N 3.955 123.971 120.200 -0.307 0.000 2.136 301 E HA -0.294 4.056 4.350 -0.000 0.000 0.208 301 E C 1.744 178.427 176.600 0.138 0.000 1.035 301 E CA 1.519 57.883 56.400 -0.061 0.000 0.838 301 E CB 0.040 29.666 29.700 -0.123 0.000 0.748 301 E HN 0.640 nan 8.360 nan 0.000 0.459 302 R N 0.404 121.079 120.500 0.291 0.000 2.280 302 R HA -0.046 4.294 4.340 -0.000 0.000 0.207 302 R C 1.961 178.343 176.300 0.136 0.000 1.043 302 R CA 1.240 57.447 56.100 0.178 0.000 1.006 302 R CB 0.159 30.534 30.300 0.125 0.000 0.885 302 R HN 0.252 nan 8.270 nan 0.000 0.467 303 V N -4.717 115.296 119.914 0.165 0.000 3.398 303 V HA 0.106 4.226 4.120 -0.000 0.000 0.298 303 V C 1.477 177.692 176.094 0.202 0.000 1.496 303 V CA -0.499 61.893 62.300 0.153 0.000 1.044 303 V CB -0.670 31.227 31.823 0.123 0.000 0.880 303 V HN 0.027 nan 8.190 nan 0.000 0.443 304 Y N 2.331 122.688 120.300 0.095 0.000 2.053 304 Y HA -0.248 4.302 4.550 -0.000 0.000 0.277 304 Y C 2.341 178.315 175.900 0.122 0.000 1.159 304 Y CA 2.661 60.829 58.100 0.112 0.000 1.125 304 Y CB -0.106 38.387 38.460 0.056 0.000 0.969 304 Y HN 0.279 nan 8.280 nan 0.000 0.492 305 D N -0.207 120.367 120.400 0.291 0.000 2.104 305 D HA -0.219 4.421 4.640 -0.000 0.000 0.194 305 D C 2.210 178.548 176.300 0.064 0.000 0.994 305 D CA 1.593 55.692 54.000 0.165 0.000 0.830 305 D CB -0.519 40.366 40.800 0.141 0.000 0.959 305 D HN 0.506 nan 8.370 nan 0.000 0.452 306 A N 0.257 123.127 122.820 0.083 0.000 1.929 306 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 306 A C 2.067 179.676 177.584 0.041 0.000 1.176 306 A CA 0.773 52.843 52.037 0.055 0.000 0.628 306 A CB -0.840 18.205 19.000 0.075 0.000 0.816 306 A HN 0.237 nan 8.150 nan 0.000 0.444 307 F N 1.112 121.015 119.950 -0.079 0.000 2.113 307 F HA -0.026 4.501 4.527 -0.000 0.000 0.297 307 F C 2.493 178.173 175.800 -0.201 0.000 1.103 307 F CA 1.118 59.043 58.000 -0.126 0.000 1.248 307 F CB -0.479 38.450 39.000 -0.118 0.000 0.999 307 F HN 0.240 nan 8.300 nan 0.000 0.475 308 A N 0.173 122.826 122.820 -0.279 0.000 1.908 308 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 308 A C 1.997 179.390 177.584 -0.318 0.000 1.181 308 A CA 2.114 53.922 52.037 -0.382 0.000 0.627 308 A CB -1.042 17.776 19.000 -0.304 0.000 0.818 308 A HN 0.473 nan 8.150 nan 0.000 0.445 309 D N -0.095 120.180 120.400 -0.208 0.000 2.084 309 D HA -0.117 4.523 4.640 -0.000 0.000 0.196 309 D C 1.934 178.111 176.300 -0.204 0.000 0.985 309 D CA 1.418 55.321 54.000 -0.161 0.000 0.826 309 D CB -0.369 40.376 40.800 -0.092 0.000 0.978 309 D HN 0.474 nan 8.370 nan 0.000 0.456 310 K N 0.191 120.454 120.400 -0.229 0.000 2.103 310 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 310 K C 2.147 178.554 176.600 -0.322 0.000 1.048 310 K CA 0.549 56.697 56.287 -0.232 0.000 0.930 310 K CB -0.242 32.141 32.500 -0.196 0.000 0.716 310 K HN 0.076 nan 8.250 nan 0.000 0.444 311 L N 1.080 121.993 121.223 -0.517 0.000 2.044 311 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 311 L C 2.310 178.973 176.870 -0.346 0.000 1.075 311 L CA 1.690 56.203 54.840 -0.544 0.000 0.747 311 L CB -0.670 40.863 42.059 -0.877 0.000 0.903 311 L HN 0.115 nan 8.230 nan 0.000 0.435 312 A N -0.180 122.461 122.820 -0.300 0.000 1.892 312 A HA -0.229 4.090 4.320 -0.000 0.000 0.218 312 A C 2.460 179.941 177.584 -0.172 0.000 1.188 312 A CA 2.331 54.246 52.037 -0.205 0.000 0.631 312 A CB -1.364 17.537 19.000 -0.165 0.000 0.822 312 A HN 0.615 nan 8.150 nan 0.000 0.447 313 A N -0.156 122.565 122.820 -0.164 0.000 1.841 313 A HA 0.068 4.388 4.320 -0.000 0.000 0.216 313 A C 2.605 180.107 177.584 -0.137 0.000 1.199 313 A CA 2.829 54.788 52.037 -0.131 0.000 0.621 313 A CB -1.412 17.519 19.000 -0.115 0.000 0.835 313 A HN 1.316 nan 8.150 nan 0.000 0.445 314 A N -0.750 121.975 122.820 -0.158 0.000 1.884 314 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 314 A C 2.266 179.749 177.584 -0.169 0.000 1.197 314 A CA 2.332 54.281 52.037 -0.147 0.000 0.637 314 A CB -1.286 17.619 19.000 -0.158 0.000 0.827 314 A HN 0.564 nan 8.150 nan 0.000 0.450 315 V N 0.987 120.769 119.914 -0.220 0.000 2.332 315 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 315 V C 2.897 178.862 176.094 -0.216 0.000 1.055 315 V CA 2.465 64.587 62.300 -0.297 0.000 1.038 315 V CB -0.967 30.663 31.823 -0.323 0.000 0.651 315 V HN 0.845 nan 8.190 nan 0.000 0.450 316 S N 0.327 115.934 115.700 -0.155 0.000 2.507 316 S HA -0.098 4.372 4.470 -0.000 0.000 0.235 316 S C 1.836 176.381 174.600 -0.091 0.000 0.988 316 S CA 1.263 59.397 58.200 -0.110 0.000 0.944 316 S CB -0.475 62.671 63.200 -0.090 0.000 0.762 316 S HN 0.672 nan 8.310 nan 0.000 0.526 317 K N 0.806 121.147 120.400 -0.097 0.000 2.444 317 K HA 0.516 4.836 4.320 -0.000 0.000 0.193 317 K C 0.539 177.095 176.600 -0.073 0.000 1.024 317 K CA 0.174 56.417 56.287 -0.074 0.000 1.077 317 K CB -0.645 31.816 32.500 -0.065 0.000 0.833 317 K HN 0.575 nan 8.250 nan 0.000 0.517 318 L N 1.510 122.672 121.223 -0.102 0.000 2.305 318 L HA 0.309 4.649 4.340 -0.000 0.000 0.281 318 L C 0.352 177.182 176.870 -0.067 0.000 1.085 318 L CA -0.563 54.221 54.840 -0.094 0.000 0.813 318 L CB 1.711 43.674 42.059 -0.160 0.000 1.157 318 L HN 0.189 nan 8.230 nan 0.000 0.436 319 K N 2.418 122.793 120.400 -0.042 0.000 2.156 319 K HA 0.544 4.864 4.320 -0.000 0.000 0.271 319 K C -1.157 175.422 176.600 -0.035 0.000 0.995 319 K CA -0.618 55.649 56.287 -0.034 0.000 0.890 319 K CB 1.598 34.083 32.500 -0.025 0.000 1.073 319 K HN 0.308 nan 8.250 nan 0.000 0.454 320 V N 2.709 122.579 119.914 -0.073 0.000 2.435 320 V HA 0.757 4.877 4.120 -0.000 0.000 0.290 320 V C 0.424 176.405 176.094 -0.188 0.000 1.030 320 V CA -0.282 61.943 62.300 -0.125 0.000 0.881 320 V CB 1.173 32.801 31.823 -0.325 0.000 0.983 320 V HN 1.044 nan 8.190 nan 0.000 0.445 321 G N 2.427 111.186 108.800 -0.068 0.000 2.328 321 G HA2 0.582 4.542 3.960 -0.000 0.000 0.295 321 G HA3 0.582 4.542 3.960 -0.000 0.000 0.295 321 G C -0.677 174.321 174.900 0.162 0.000 1.413 321 G CA -0.391 44.640 45.100 -0.115 0.000 0.817 321 G HN 0.891 nan 8.290 nan 0.000 0.546 322 R N -0.461 120.115 120.500 0.128 0.000 2.570 322 R HA 0.539 4.878 4.340 -0.000 0.000 0.277 322 R C 1.792 178.165 176.300 0.122 0.000 1.039 322 R CA 1.173 57.404 56.100 0.217 0.000 1.065 322 R CB -0.208 30.178 30.300 0.143 0.000 0.964 322 R HN 2.306 nan 8.270 nan 0.000 0.428 323 G N 0.348 109.212 108.800 0.107 0.000 2.499 323 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.221 323 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.221 323 G C 1.482 176.409 174.900 0.044 0.000 1.109 323 G CA 1.660 46.798 45.100 0.063 0.000 0.749 323 G HN 1.008 nan 8.290 nan 0.000 0.568 324 T N -2.008 112.571 114.554 0.042 0.000 3.129 324 T HA 0.205 4.555 4.350 -0.000 0.000 0.251 324 T C 0.737 175.451 174.700 0.022 0.000 1.117 324 T CA 0.230 62.347 62.100 0.027 0.000 1.034 324 T CB 0.268 69.150 68.868 0.023 0.000 0.968 324 T HN 0.429 nan 8.240 nan 0.000 0.526 325 E N 1.398 121.613 120.200 0.025 0.000 2.266 325 E HA 0.377 4.727 4.350 -0.000 0.000 0.277 325 E C -0.894 175.713 176.600 0.012 0.000 1.018 325 E CA -0.537 55.872 56.400 0.014 0.000 0.840 325 E CB 1.150 30.855 29.700 0.008 0.000 1.082 325 E HN 0.127 nan 8.360 nan 0.000 0.395 326 S N 1.568 117.272 115.700 0.007 0.000 2.565 326 S HA 0.446 4.916 4.470 -0.000 0.000 0.274 326 S C 0.770 175.372 174.600 0.003 0.000 1.309 326 S CA 0.404 58.608 58.200 0.006 0.000 1.043 326 S CB 1.160 64.362 63.200 0.004 0.000 0.939 326 S HN 0.855 nan 8.310 nan 0.000 0.504 327 G N 1.595 110.398 108.800 0.004 0.000 2.241 327 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.244 327 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.244 327 G C 0.236 175.137 174.900 0.002 0.000 0.998 327 G CA -0.118 44.983 45.100 0.001 0.000 0.621 327 G HN 1.211 nan 8.290 nan 0.000 0.519 328 A N 0.721 123.545 122.820 0.007 0.000 2.454 328 A HA 0.649 4.969 4.320 -0.000 0.000 0.260 328 A C 1.363 178.962 177.584 0.025 0.000 1.106 328 A CA 1.682 53.728 52.037 0.015 0.000 0.780 328 A CB 0.257 19.273 19.000 0.026 0.000 1.044 328 A HN 1.457 nan 8.150 nan 0.000 0.498 329 T N 0.115 114.684 114.554 0.025 0.000 2.966 329 T HA 0.342 4.692 4.350 -0.000 0.000 0.254 329 T C 0.130 174.860 174.700 0.050 0.000 0.961 329 T CA 0.067 62.186 62.100 0.032 0.000 0.915 329 T CB -0.289 68.590 68.868 0.018 0.000 1.186 329 T HN 0.331 nan 8.240 nan 0.000 0.505 330 L N 2.245 123.502 121.223 0.056 0.000 2.319 330 L HA 0.765 5.105 4.340 -0.000 0.000 0.281 330 L C 0.780 177.726 176.870 0.127 0.000 1.005 330 L CA -1.026 53.867 54.840 0.087 0.000 0.828 330 L CB 1.768 43.878 42.059 0.085 0.000 1.227 330 L HN 0.302 nan 8.230 nan 0.000 0.415 331 G N 3.068 111.924 108.800 0.094 0.000 2.510 331 G HA2 0.588 4.548 3.960 -0.000 0.000 0.280 331 G HA3 0.588 4.548 3.960 -0.000 0.000 0.280 331 G C -2.670 172.146 174.900 -0.141 0.000 1.386 331 G CA -1.087 44.047 45.100 0.057 0.000 1.047 331 G HN 0.321 nan 8.290 nan 0.000 0.527 332 P HA 0.258 nan 4.420 nan 0.000 0.276 332 P C -0.468 176.664 177.300 -0.281 0.000 1.244 332 P CA -0.663 61.983 63.100 -0.756 0.000 0.801 332 P CB 1.053 32.110 31.700 -1.072 0.000 1.006 333 L N 2.166 123.290 121.223 -0.164 0.000 2.467 333 L HA 0.073 4.413 4.340 -0.000 0.000 0.270 333 L C 2.139 178.903 176.870 -0.176 0.000 1.205 333 L CA 0.256 55.041 54.840 -0.092 0.000 0.828 333 L CB -0.730 41.307 42.059 -0.037 0.000 1.101 333 L HN 0.415 nan 8.230 nan 0.000 0.479 334 I N 1.460 121.885 120.570 -0.243 0.000 2.208 334 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 334 I C 0.434 176.352 176.117 -0.332 0.000 1.097 334 I CA 1.174 62.233 61.300 -0.402 0.000 1.363 334 I CB 0.045 37.472 38.000 -0.955 0.000 1.051 334 I HN 0.957 nan 8.210 nan 0.000 0.413 335 N N -1.576 116.952 118.700 -0.287 0.000 2.972 335 N HA 0.064 4.804 4.740 -0.000 0.000 0.262 335 N C 0.288 175.728 175.510 -0.116 0.000 1.478 335 N CA -0.597 52.337 53.050 -0.193 0.000 0.841 335 N CB 0.345 38.694 38.487 -0.229 0.000 1.512 335 N HN -0.232 nan 8.380 nan 0.000 0.548 336 E N 0.068 120.221 120.200 -0.079 0.000 2.118 336 E HA -0.084 4.266 4.350 -0.000 0.000 0.195 336 E C 1.526 178.103 176.600 -0.038 0.000 0.992 336 E CA 1.642 58.017 56.400 -0.041 0.000 0.804 336 E CB -0.455 29.221 29.700 -0.040 0.000 0.741 336 E HN 0.673 nan 8.360 nan 0.000 0.458 337 A N 0.671 123.456 122.820 -0.058 0.000 2.015 337 A HA 0.010 4.330 4.320 -0.000 0.000 0.219 337 A C 2.341 179.900 177.584 -0.041 0.000 1.163 337 A CA 1.600 53.611 52.037 -0.043 0.000 0.646 337 A CB -0.359 18.616 19.000 -0.042 0.000 0.806 337 A HN 0.277 nan 8.150 nan 0.000 0.448 338 A N -0.441 122.341 122.820 -0.063 0.000 1.930 338 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 338 A C 2.180 179.725 177.584 -0.064 0.000 1.175 338 A CA 1.691 53.701 52.037 -0.045 0.000 0.627 338 A CB -0.773 18.183 19.000 -0.074 0.000 0.815 338 A HN 0.348 nan 8.150 nan 0.000 0.443 339 V N 0.283 120.171 119.914 -0.044 0.000 2.358 339 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 339 V C 3.156 179.228 176.094 -0.036 0.000 1.047 339 V CA 2.517 64.805 62.300 -0.020 0.000 1.035 339 V CB -1.130 30.768 31.823 0.125 0.000 0.658 339 V HN 0.699 nan 8.190 nan 0.000 0.452 340 K N 0.343 120.736 120.400 -0.011 0.000 2.280 340 K HA -0.201 4.118 4.320 -0.000 0.000 0.202 340 K C 2.022 178.588 176.600 -0.057 0.000 1.047 340 K CA 1.925 58.208 56.287 -0.006 0.000 0.942 340 K CB -0.482 32.017 32.500 -0.001 0.000 0.739 340 K HN 0.504 nan 8.250 nan 0.000 0.457 341 K N 0.193 120.532 120.400 -0.103 0.000 2.031 341 K HA 0.012 4.332 4.320 -0.000 0.000 0.205 341 K C 2.003 178.429 176.600 -0.290 0.000 1.049 341 K CA 1.297 57.471 56.287 -0.188 0.000 0.939 341 K CB -0.301 32.115 32.500 -0.141 0.000 0.717 341 K HN 0.123 nan 8.250 nan 0.000 0.438 342 V N 1.591 121.338 119.914 -0.278 0.000 2.287 342 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 342 V C 1.973 177.959 176.094 -0.180 0.000 1.053 342 V CA 2.233 64.332 62.300 -0.334 0.000 1.027 342 V CB -0.540 30.832 31.823 -0.753 0.000 0.646 342 V HN 0.406 nan 8.190 nan 0.000 0.447 343 E N -0.142 119.999 120.200 -0.098 0.000 2.118 343 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 343 E C 2.423 179.062 176.600 0.066 0.000 0.992 343 E CA 1.495 57.955 56.400 0.099 0.000 0.804 343 E CB -0.265 29.528 29.700 0.155 0.000 0.741 343 E HN 0.494 nan 8.360 nan 0.000 0.458 344 S N -0.441 115.260 115.700 0.001 0.000 2.368 344 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 344 S C 1.736 176.399 174.600 0.105 0.000 1.030 344 S CA 1.118 59.329 58.200 0.019 0.000 0.999 344 S CB -0.185 62.986 63.200 -0.047 0.000 0.844 344 S HN 0.400 nan 8.310 nan 0.000 0.459 345 H N -0.020 119.059 119.070 0.014 0.000 2.357 345 H HA 0.037 4.593 4.556 -0.000 0.000 0.301 345 H C 2.103 177.445 175.328 0.022 0.000 1.082 345 H CA 1.482 57.539 56.048 0.014 0.000 1.342 345 H CB -0.043 29.718 29.762 -0.001 0.000 1.389 345 H HN 0.351 nan 8.280 nan 0.000 0.511 346 I N 0.664 121.333 120.570 0.165 0.000 2.226 346 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 346 I C 2.801 178.975 176.117 0.095 0.000 1.100 346 I CA 0.894 62.268 61.300 0.123 0.000 1.374 346 I CB -0.258 37.837 38.000 0.157 0.000 1.057 346 I HN 0.282 nan 8.210 nan 0.000 0.413 347 A N 0.396 123.274 122.820 0.096 0.000 1.902 347 A HA -0.304 4.016 4.320 -0.000 0.000 0.217 347 A C 2.001 179.622 177.584 0.063 0.000 1.181 347 A CA 2.357 54.438 52.037 0.073 0.000 0.623 347 A CB -0.791 18.250 19.000 0.070 0.000 0.818 347 A HN 0.472 nan 8.150 nan 0.000 0.443 348 D N -0.487 119.960 120.400 0.078 0.000 2.117 348 D HA -0.020 4.620 4.640 -0.000 0.000 0.197 348 D C 2.032 178.354 176.300 0.037 0.000 0.987 348 D CA 1.556 55.595 54.000 0.064 0.000 0.829 348 D CB -0.158 40.697 40.800 0.091 0.000 0.961 348 D HN 0.347 nan 8.370 nan 0.000 0.460 349 A N -0.040 122.798 122.820 0.030 0.000 1.877 349 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 349 A C 2.058 179.643 177.584 0.001 0.000 1.186 349 A CA 1.006 53.041 52.037 -0.004 0.000 0.620 349 A CB -0.817 18.172 19.000 -0.019 0.000 0.822 349 A HN 0.300 nan 8.150 nan 0.000 0.443 350 L N -0.249 120.985 121.223 0.018 0.000 2.012 350 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 350 L C 2.973 179.851 176.870 0.014 0.000 1.073 350 L CA 1.988 56.838 54.840 0.017 0.000 0.748 350 L CB -1.342 40.733 42.059 0.028 0.000 0.891 350 L HN 0.421 nan 8.230 nan 0.000 0.431 351 A N -1.384 121.449 122.820 0.020 0.000 2.070 351 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 351 A C 2.235 179.827 177.584 0.013 0.000 1.159 351 A CA 1.527 53.575 52.037 0.018 0.000 0.656 351 A CB -0.382 18.633 19.000 0.024 0.000 0.800 351 A HN 0.398 nan 8.150 nan 0.000 0.453 352 K N -2.088 118.318 120.400 0.009 0.000 2.374 352 K HA 0.293 4.613 4.320 -0.000 0.000 0.196 352 K C 0.880 177.478 176.600 -0.004 0.000 1.023 352 K CA 0.529 56.819 56.287 0.005 0.000 1.103 352 K CB 0.357 32.861 32.500 0.006 0.000 0.848 352 K HN 0.565 nan 8.250 nan 0.000 0.528 353 G N 0.255 109.051 108.800 -0.006 0.000 2.205 353 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.180 353 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.180 353 G C 0.159 175.049 174.900 -0.016 0.000 1.004 353 G CA -0.224 44.870 45.100 -0.010 0.000 0.670 353 G HN 0.361 nan 8.290 nan 0.000 0.496 354 A N 0.160 122.967 122.820 -0.023 0.000 2.386 354 A HA 0.717 5.037 4.320 -0.000 0.000 0.246 354 A C 0.676 178.253 177.584 -0.011 0.000 1.089 354 A CA 1.003 53.022 52.037 -0.029 0.000 0.790 354 A CB 0.462 19.434 19.000 -0.046 0.000 1.042 354 A HN 1.113 nan 8.150 nan 0.000 0.497 355 S N 0.136 115.832 115.700 -0.006 0.000 2.478 355 S HA 0.440 4.910 4.470 -0.000 0.000 0.312 355 S C -0.622 173.980 174.600 0.004 0.000 1.094 355 S CA -0.482 57.719 58.200 0.002 0.000 1.081 355 S CB 1.190 64.395 63.200 0.009 0.000 1.007 355 S HN 0.629 nan 8.310 nan 0.000 0.475 356 L N 4.059 125.286 121.223 0.007 0.000 2.385 356 L HA 0.329 4.669 4.340 -0.000 0.000 0.281 356 L C 0.972 177.841 176.870 -0.002 0.000 1.106 356 L CA 0.327 55.173 54.840 0.010 0.000 0.856 356 L CB 0.337 42.406 42.059 0.016 0.000 1.186 356 L HN 0.886 nan 8.230 nan 0.000 0.453 357 M N 2.600 122.195 119.600 -0.010 0.000 2.287 357 M HA 0.063 4.543 4.480 -0.000 0.000 0.266 357 M C 0.392 176.673 176.300 -0.031 0.000 1.079 357 M CA 0.991 56.275 55.300 -0.027 0.000 1.146 357 M CB 0.310 32.880 32.600 -0.050 0.000 1.374 357 M HN 0.683 nan 8.290 nan 0.000 0.435 358 T N -1.472 113.070 114.554 -0.020 0.000 2.786 358 T HA 0.531 4.881 4.350 -0.000 0.000 0.316 358 T C -0.158 174.546 174.700 0.008 0.000 1.503 358 T CA -0.012 62.075 62.100 -0.021 0.000 1.019 358 T CB 0.878 69.719 68.868 -0.045 0.000 1.415 358 T HN 0.685 nan 8.240 nan 0.000 0.496 359 G N 1.348 110.149 108.800 0.002 0.000 2.582 359 G HA2 0.206 4.166 3.960 -0.000 0.000 0.288 359 G HA3 0.206 4.166 3.960 -0.000 0.000 0.288 359 G C 1.050 175.964 174.900 0.023 0.000 1.247 359 G CA 1.416 46.528 45.100 0.019 0.000 0.972 359 G HN 2.394 nan 8.290 nan 0.000 0.557 360 G N -3.726 105.120 108.800 0.078 0.000 2.229 360 G HA2 0.526 4.486 3.960 -0.000 0.000 0.189 360 G HA3 0.526 4.486 3.960 -0.000 0.000 0.189 360 G C 0.538 175.466 174.900 0.047 0.000 1.000 360 G CA 1.529 46.702 45.100 0.121 0.000 0.663 360 G HN 2.489 nan 8.290 nan 0.000 0.493 361 K N 0.084 120.324 120.400 -0.268 0.000 2.439 361 K HA 0.905 5.225 4.320 -0.000 0.000 0.260 361 K C 0.201 176.117 176.600 -1.140 0.000 1.032 361 K CA -0.288 55.699 56.287 -0.501 0.000 0.882 361 K CB 0.603 32.965 32.500 -0.231 0.000 1.420 361 K HN 0.619 nan 8.250 nan 0.000 0.455 362 R N 1.480 121.510 120.500 -0.784 0.000 2.590 362 R HA 0.149 4.489 4.340 -0.000 0.000 0.274 362 R C 0.254 176.405 176.300 -0.248 0.000 1.061 362 R CA -0.604 55.189 56.100 -0.510 0.000 1.081 362 R CB 0.247 30.477 30.300 -0.117 0.000 0.984 362 R HN 0.701 nan 8.270 nan 0.000 0.448 363 H N 1.228 120.204 119.070 -0.156 0.000 2.652 363 H HA 0.057 4.613 4.556 -0.000 0.000 0.349 363 H C 0.767 176.067 175.328 -0.048 0.000 1.099 363 H CA 0.352 56.359 56.048 -0.069 0.000 1.417 363 H CB 1.450 31.232 29.762 0.035 0.000 1.457 363 H HN 0.780 nan 8.280 nan 0.000 0.568 364 A N 4.978 127.579 122.820 -0.365 0.000 2.024 364 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 364 A C 2.792 180.352 177.584 -0.040 0.000 1.164 364 A CA 1.707 53.624 52.037 -0.200 0.000 0.643 364 A CB -1.090 17.747 19.000 -0.273 0.000 0.806 364 A HN 0.675 nan 8.150 nan 0.000 0.451 365 L N -1.798 119.492 121.223 0.111 0.000 2.362 365 L HA 0.376 4.716 4.340 -0.000 0.000 0.219 365 L C 1.890 178.859 176.870 0.165 0.000 1.134 365 L CA 1.681 56.547 54.840 0.043 0.000 0.807 365 L CB -2.174 39.707 42.059 -0.296 0.000 0.927 365 L HN 1.781 nan 8.230 nan 0.000 0.447 366 G N -2.646 106.287 108.800 0.222 0.000 2.584 366 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.229 366 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.229 366 G C 0.295 175.407 174.900 0.354 0.000 1.320 366 G CA 0.538 45.740 45.100 0.170 0.000 0.891 366 G HN 1.693 nan 8.290 nan 0.000 0.573 367 H N -1.851 117.329 119.070 0.184 0.000 1.452 367 H HA -0.272 4.284 4.556 -0.000 0.000 0.090 367 H C 2.201 177.573 175.328 0.073 0.000 0.985 367 H CA 3.240 59.356 56.048 0.113 0.000 1.901 367 H CB -1.249 28.581 29.762 0.114 0.000 2.257 367 H HN 1.712 nan 8.280 nan 0.000 0.961 368 G N -0.056 108.805 108.800 0.102 0.000 2.939 368 G HA2 0.188 4.148 3.960 -0.000 0.000 0.210 368 G HA3 0.188 4.148 3.960 -0.000 0.000 0.210 368 G C -0.300 174.584 174.900 -0.027 0.000 1.160 368 G CA -0.069 45.002 45.100 -0.047 0.000 0.770 368 G HN 0.197 nan 8.290 nan 0.000 0.543 369 F N 0.317 120.362 119.950 0.157 0.000 2.538 369 F HA 0.504 5.031 4.527 -0.000 0.000 0.371 369 F C -0.102 175.839 175.800 0.234 0.000 1.087 369 F CA -0.455 57.628 58.000 0.138 0.000 1.250 369 F CB 0.527 39.562 39.000 0.058 0.000 1.110 369 F HN -0.058 nan 8.300 nan 0.000 0.570 370 F N 1.970 122.067 119.950 0.245 0.000 2.578 370 F HA 0.328 4.854 4.527 -0.000 0.000 0.311 370 F C -0.340 175.575 175.800 0.193 0.000 1.094 370 F CA -0.957 57.162 58.000 0.197 0.000 0.923 370 F CB 1.400 40.481 39.000 0.134 0.000 1.230 370 F HN 0.415 nan 8.300 nan 0.000 0.450 371 E N 6.277 126.498 120.200 0.034 0.000 2.324 371 E HA 0.154 4.504 4.350 -0.000 0.000 0.271 371 E C -2.284 174.474 176.600 0.264 0.000 1.028 371 E CA -1.688 54.790 56.400 0.130 0.000 0.890 371 E CB 0.319 30.008 29.700 -0.017 0.000 1.004 371 E HN 0.176 nan 8.360 nan 0.000 0.431 372 P HA -0.063 nan 4.420 nan 0.000 0.261 372 P C -0.766 176.632 177.300 0.164 0.000 1.183 372 P CA 0.330 63.531 63.100 0.169 0.000 0.761 372 P CB 0.506 32.126 31.700 -0.134 0.000 0.785 373 T N 2.547 117.265 114.554 0.272 0.000 2.856 373 T HA 0.463 4.813 4.350 -0.000 0.000 0.283 373 T C -0.180 174.617 174.700 0.162 0.000 1.008 373 T CA -0.532 61.687 62.100 0.199 0.000 0.997 373 T CB 1.435 70.453 68.868 0.249 0.000 0.992 373 T HN 0.063 nan 8.240 nan 0.000 0.454 374 V N 3.781 123.737 119.914 0.070 0.000 2.540 374 V HA 0.560 4.680 4.120 -0.000 0.000 0.302 374 V C -0.634 175.458 176.094 -0.003 0.000 1.035 374 V CA -0.830 61.475 62.300 0.009 0.000 0.873 374 V CB 1.724 33.505 31.823 -0.070 0.000 0.992 374 V HN 0.716 nan 8.190 nan 0.000 0.428 375 L N 4.133 125.346 121.223 -0.016 0.000 2.362 375 L HA 0.769 5.109 4.340 -0.000 0.000 0.271 375 L C 0.244 177.095 176.870 -0.031 0.000 1.002 375 L CA -0.360 54.467 54.840 -0.022 0.000 0.818 375 L CB 2.548 44.589 42.059 -0.030 0.000 1.298 375 L HN 0.832 nan 8.230 nan 0.000 0.420 376 T N -2.230 112.326 114.554 0.003 0.000 2.940 376 T HA 0.609 4.959 4.350 -0.000 0.000 0.288 376 T C 0.756 175.484 174.700 0.047 0.000 1.045 376 T CA -0.055 62.099 62.100 0.090 0.000 1.018 376 T CB 1.760 70.719 68.868 0.150 0.000 1.151 376 T HN 0.952 nan 8.240 nan 0.000 0.529 377 G N 0.311 109.157 108.800 0.077 0.000 2.249 377 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.273 377 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.273 377 G C 0.003 174.839 174.900 -0.108 0.000 1.036 377 G CA 0.033 45.109 45.100 -0.040 0.000 0.824 377 G HN 1.148 nan 8.290 nan 0.000 0.504 378 V N -0.107 119.680 119.914 -0.211 0.000 2.508 378 V HA 0.657 4.777 4.120 -0.000 0.000 0.281 378 V C 0.826 176.674 176.094 -0.410 0.000 1.041 378 V CA 0.686 62.715 62.300 -0.452 0.000 1.016 378 V CB 0.720 32.012 31.823 -0.886 0.000 0.984 378 V HN 0.882 nan 8.190 nan 0.000 0.478 379 K N 6.183 126.469 120.400 -0.190 0.000 2.211 379 K HA 0.715 5.034 4.320 -0.000 0.000 0.237 379 K C -2.444 174.286 176.600 0.216 0.000 1.002 379 K CA -1.767 54.550 56.287 0.049 0.000 0.885 379 K CB 0.585 33.107 32.500 0.036 0.000 1.136 379 K HN 0.521 nan 8.250 nan 0.000 0.448 380 P HA 0.044 nan 4.420 nan 0.000 0.253 380 P C -0.170 177.229 177.300 0.165 0.000 1.260 380 P CA 0.381 63.662 63.100 0.302 0.000 0.800 380 P CB 0.313 32.149 31.700 0.227 0.000 1.162 381 D N -1.643 118.826 120.400 0.116 0.000 2.349 381 D HA -0.010 4.630 4.640 -0.000 0.000 0.215 381 D C 0.588 176.925 176.300 0.062 0.000 1.016 381 D CA 0.334 54.378 54.000 0.074 0.000 0.870 381 D CB -0.384 40.447 40.800 0.053 0.000 0.917 381 D HN 0.172 nan 8.370 nan 0.000 0.524 382 M N 0.805 120.445 119.600 0.067 0.000 2.255 382 M HA 0.119 4.599 4.480 -0.000 0.000 0.336 382 M C 0.630 176.947 176.300 0.028 0.000 1.135 382 M CA -0.554 54.765 55.300 0.031 0.000 1.145 382 M CB 1.137 33.728 32.600 -0.016 0.000 1.473 382 M HN -0.347 nan 8.290 nan 0.000 0.462 383 D N 0.986 121.383 120.400 -0.005 0.000 2.178 383 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 383 D C 1.771 177.949 176.300 -0.203 0.000 0.980 383 D CA 0.999 54.981 54.000 -0.029 0.000 0.842 383 D CB 0.046 40.889 40.800 0.072 0.000 0.948 383 D HN 0.401 nan 8.370 nan 0.000 0.472 384 V N 0.533 120.246 119.914 -0.335 0.000 2.913 384 V HA -0.120 4.000 4.120 -0.000 0.000 0.260 384 V C 2.001 178.090 176.094 -0.008 0.000 1.098 384 V CA 1.578 63.643 62.300 -0.391 0.000 1.121 384 V CB -0.278 31.370 31.823 -0.292 0.000 0.714 384 V HN 0.167 nan 8.190 nan 0.000 0.487 385 A N -0.442 122.460 122.820 0.136 0.000 2.016 385 A HA 0.052 4.371 4.320 -0.000 0.000 0.217 385 A C 2.225 179.866 177.584 0.096 0.000 1.162 385 A CA 1.678 53.846 52.037 0.217 0.000 0.662 385 A CB -0.333 18.844 19.000 0.295 0.000 0.812 385 A HN 0.586 nan 8.150 nan 0.000 0.450 386 K N -0.288 120.156 120.400 0.073 0.000 2.391 386 K HA 0.364 4.684 4.320 -0.000 0.000 0.197 386 K C 0.400 177.092 176.600 0.154 0.000 1.087 386 K CA 0.579 56.923 56.287 0.094 0.000 1.012 386 K CB 0.181 32.723 32.500 0.071 0.000 0.925 386 K HN 0.619 nan 8.250 nan 0.000 0.547 387 E N 0.124 120.378 120.200 0.091 0.000 2.277 387 E HA 0.319 4.669 4.350 -0.000 0.000 0.266 387 E C -1.299 175.316 176.600 0.024 0.000 0.901 387 E CA -0.759 55.715 56.400 0.123 0.000 0.782 387 E CB 2.143 31.975 29.700 0.221 0.000 1.228 387 E HN 0.389 nan 8.360 nan 0.000 0.424 388 E N 0.466 120.606 120.200 -0.100 0.000 2.338 388 E HA 0.071 4.421 4.350 -0.000 0.000 0.272 388 E C 0.189 176.668 176.600 -0.202 0.000 1.029 388 E CA 0.099 56.282 56.400 -0.362 0.000 0.872 388 E CB 1.034 30.162 29.700 -0.954 0.000 1.015 388 E HN 0.438 nan 8.360 nan 0.000 0.417 389 T N 2.813 117.297 114.554 -0.116 0.000 2.894 389 T HA -0.059 4.291 4.350 -0.000 0.000 0.258 389 T C 0.183 174.892 174.700 0.014 0.000 1.043 389 T CA 0.153 62.302 62.100 0.081 0.000 1.141 389 T CB -0.100 68.868 68.868 0.166 0.000 0.873 389 T HN 0.565 nan 8.240 nan 0.000 0.449 390 F N 0.704 120.691 119.950 0.062 0.000 3.084 390 F HA -0.110 4.417 4.527 -0.000 0.000 0.286 390 F C 0.871 176.698 175.800 0.044 0.000 0.855 390 F CA 0.553 58.588 58.000 0.058 0.000 1.091 390 F CB -1.925 37.134 39.000 0.099 0.000 1.177 390 F HN 0.345 nan 8.300 nan 0.000 0.542 391 G N -1.534 107.348 108.800 0.137 0.000 2.708 391 G HA2 0.697 4.657 3.960 -0.000 0.000 0.289 391 G HA3 0.697 4.657 3.960 -0.000 0.000 0.289 391 G C -2.979 171.948 174.900 0.044 0.000 1.416 391 G CA -1.114 44.023 45.100 0.061 0.000 0.829 391 G HN -0.211 nan 8.290 nan 0.000 0.480 392 P HA 0.262 nan 4.420 nan 0.000 0.226 392 P C -0.792 176.661 177.300 0.255 0.000 1.783 392 P CA -0.124 63.103 63.100 0.213 0.000 0.980 392 P CB 0.141 32.102 31.700 0.436 0.000 1.967 393 L N 0.887 122.157 121.223 0.078 0.000 2.356 393 L HA 0.756 5.096 4.340 -0.000 0.000 0.277 393 L C -0.807 176.117 176.870 0.090 0.000 0.996 393 L CA -0.923 53.988 54.840 0.118 0.000 0.822 393 L CB 1.968 44.082 42.059 0.091 0.000 1.256 393 L HN 0.073 nan 8.230 nan 0.000 0.413 394 A N 6.768 129.670 122.820 0.137 0.000 2.511 394 A HA 0.776 5.096 4.320 -0.000 0.000 0.340 394 A C -2.679 174.977 177.584 0.121 0.000 1.396 394 A CA -1.318 50.821 52.037 0.170 0.000 0.887 394 A CB -0.150 18.859 19.000 0.014 0.000 1.145 394 A HN 0.500 nan 8.150 nan 0.000 0.497 395 P HA 0.376 nan 4.420 nan 0.000 0.293 395 P C -0.750 176.594 177.300 0.073 0.000 1.300 395 P CA -0.084 63.030 63.100 0.024 0.000 0.792 395 P CB 1.112 32.781 31.700 -0.052 0.000 0.925 396 L N 4.804 126.005 121.223 -0.036 0.000 2.277 396 L HA 0.428 4.768 4.340 -0.000 0.000 0.284 396 L C 0.199 177.132 176.870 0.105 0.000 1.028 396 L CA -0.611 54.292 54.840 0.105 0.000 0.835 396 L CB -0.035 42.023 42.059 -0.002 0.000 1.215 396 L HN 0.250 nan 8.230 nan 0.000 0.425 397 F N 2.029 121.996 119.950 0.028 0.000 2.370 397 F HA 0.460 4.987 4.527 -0.000 0.000 0.324 397 F C 0.837 176.781 175.800 0.240 0.000 1.116 397 F CA -0.529 57.463 58.000 -0.013 0.000 1.123 397 F CB 0.916 39.647 39.000 -0.448 0.000 1.238 397 F HN 0.392 nan 8.300 nan 0.000 0.536 398 R N 2.223 122.927 120.500 0.340 0.000 2.393 398 R HA 0.516 4.856 4.340 -0.000 0.000 0.310 398 R C -1.427 175.062 176.300 0.314 0.000 0.968 398 R CA -0.642 55.577 56.100 0.200 0.000 0.867 398 R CB 1.097 31.281 30.300 -0.193 0.000 1.124 398 R HN 0.651 nan 8.270 nan 0.000 0.450 399 F N 0.917 120.927 119.950 0.100 0.000 2.577 399 F HA 0.707 5.234 4.527 -0.000 0.000 0.318 399 F C -0.114 175.563 175.800 -0.205 0.000 1.065 399 F CA -0.807 57.195 58.000 0.004 0.000 0.929 399 F CB 1.774 40.797 39.000 0.039 0.000 1.237 399 F HN 0.471 nan 8.300 nan 0.000 0.468 400 A N 1.278 124.019 122.820 -0.133 0.000 1.942 400 A HA 0.426 4.746 4.320 -0.000 0.000 0.209 400 A C 0.523 178.014 177.584 -0.157 0.000 1.214 400 A CA 0.858 52.720 52.037 -0.292 0.000 0.686 400 A CB -0.676 18.271 19.000 -0.087 0.000 0.871 400 A HN 0.958 nan 8.150 nan 0.000 0.460 401 S N -1.435 114.371 115.700 0.176 0.000 2.549 401 S HA 0.434 4.904 4.470 -0.000 0.000 0.280 401 S C 0.295 175.142 174.600 0.411 0.000 1.109 401 S CA 0.104 58.481 58.200 0.294 0.000 0.905 401 S CB 1.809 65.114 63.200 0.175 0.000 1.081 401 S HN 0.343 nan 8.310 nan 0.000 0.477 402 E N 1.102 121.576 120.200 0.458 0.000 2.147 402 E HA -0.291 4.059 4.350 -0.000 0.000 0.199 402 E C 1.545 178.247 176.600 0.169 0.000 1.005 402 E CA 1.783 58.420 56.400 0.395 0.000 0.810 402 E CB -0.093 29.791 29.700 0.308 0.000 0.736 402 E HN 0.843 nan 8.360 nan 0.000 0.460 403 E N 0.097 120.373 120.200 0.127 0.000 2.150 403 E HA -0.216 4.133 4.350 -0.000 0.000 0.193 403 E C 1.991 178.606 176.600 0.026 0.000 0.985 403 E CA 0.915 57.350 56.400 0.059 0.000 0.814 403 E CB 0.019 29.752 29.700 0.055 0.000 0.752 403 E HN 0.339 nan 8.360 nan 0.000 0.466 404 E N 0.320 120.552 120.200 0.054 0.000 2.112 404 E HA -0.158 4.192 4.350 -0.000 0.000 0.190 404 E C 2.335 178.887 176.600 -0.081 0.000 0.979 404 E CA 0.413 56.827 56.400 0.024 0.000 0.814 404 E CB 0.006 29.761 29.700 0.092 0.000 0.762 404 E HN 0.218 nan 8.360 nan 0.000 0.460 405 L N 0.721 121.852 121.223 -0.154 0.000 1.989 405 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 405 L C 2.287 178.885 176.870 -0.453 0.000 1.071 405 L CA 1.494 56.020 54.840 -0.524 0.000 0.749 405 L CB -0.480 41.065 42.059 -0.857 0.000 0.890 405 L HN -0.008 nan 8.230 nan 0.000 0.431 406 V N 0.039 119.806 119.914 -0.246 0.000 2.407 406 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 406 V C 2.791 178.780 176.094 -0.174 0.000 1.055 406 V CA 2.169 64.359 62.300 -0.182 0.000 1.049 406 V CB -0.851 30.922 31.823 -0.083 0.000 0.662 406 V HN 0.530 nan 8.190 nan 0.000 0.455 407 R N -0.595 119.818 120.500 -0.145 0.000 2.081 407 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 407 R C 2.240 178.443 176.300 -0.161 0.000 1.131 407 R CA 1.463 57.492 56.100 -0.118 0.000 0.960 407 R CB -0.213 30.044 30.300 -0.072 0.000 0.856 407 R HN 0.322 nan 8.270 nan 0.000 0.436 408 L N 0.550 121.623 121.223 -0.251 0.000 1.994 408 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 408 L C 2.525 179.121 176.870 -0.456 0.000 1.071 408 L CA 2.143 56.775 54.840 -0.347 0.000 0.745 408 L CB -1.207 40.540 42.059 -0.520 0.000 0.892 408 L HN 0.259 nan 8.230 nan 0.000 0.431 409 A N -0.601 121.855 122.820 -0.606 0.000 1.902 409 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 409 A C 2.065 179.603 177.584 -0.077 0.000 1.181 409 A CA 1.909 53.687 52.037 -0.432 0.000 0.623 409 A CB -0.581 18.165 19.000 -0.424 0.000 0.818 409 A HN 0.502 nan 8.150 nan 0.000 0.443 410 N N 0.230 118.875 118.700 -0.092 0.000 2.409 410 N HA -0.043 4.697 4.740 -0.000 0.000 0.179 410 N C 0.165 175.617 175.510 -0.098 0.000 1.032 410 N CA 0.668 53.676 53.050 -0.070 0.000 0.898 410 N CB -0.322 38.111 38.487 -0.091 0.000 0.971 410 N HN 0.375 nan 8.380 nan 0.000 0.441 411 D N 0.910 121.253 120.400 -0.095 0.000 2.662 411 D HA 0.005 4.645 4.640 -0.000 0.000 0.228 411 D C -0.654 175.604 176.300 -0.070 0.000 1.090 411 D CA 0.513 54.464 54.000 -0.080 0.000 1.118 411 D CB -0.470 40.292 40.800 -0.063 0.000 1.129 411 D HN -0.032 nan 8.370 nan 0.000 0.472 412 T N 0.020 114.511 114.554 -0.104 0.000 2.942 412 T HA 0.128 4.478 4.350 -0.000 0.000 0.327 412 T C 0.777 175.322 174.700 -0.259 0.000 1.360 412 T CA -0.608 61.415 62.100 -0.129 0.000 1.055 412 T CB 1.423 70.289 68.868 -0.002 0.000 1.261 412 T HN 0.111 nan 8.240 nan 0.000 0.485 413 E N 1.479 121.398 120.200 -0.469 0.000 2.118 413 E HA -0.009 4.341 4.350 -0.000 0.000 0.195 413 E C -0.194 176.067 176.600 -0.564 0.000 0.992 413 E CA 1.302 57.314 56.400 -0.647 0.000 0.804 413 E CB 0.082 29.130 29.700 -1.087 0.000 0.741 413 E HN 0.521 nan 8.360 nan 0.000 0.458 414 F N -1.092 118.798 119.950 -0.099 0.000 2.411 414 F HA 0.537 5.064 4.527 -0.000 0.000 0.324 414 F C 0.924 176.555 175.800 -0.283 0.000 1.086 414 F CA -0.592 57.336 58.000 -0.120 0.000 1.028 414 F CB 1.336 40.311 39.000 -0.042 0.000 1.284 414 F HN -0.194 nan 8.300 nan 0.000 0.501 415 G N 0.857 109.598 108.800 -0.099 0.000 4.485 415 G HA2 0.372 4.332 3.960 -0.000 0.000 0.238 415 G HA3 0.372 4.332 3.960 -0.000 0.000 0.238 415 G C -0.605 174.212 174.900 -0.138 0.000 1.216 415 G CA -0.120 44.677 45.100 -0.504 0.000 0.611 415 G HN 0.508 nan 8.290 nan 0.000 0.422 416 L N 1.261 122.546 121.223 0.103 0.000 2.185 416 L HA 0.868 5.208 4.340 -0.000 0.000 0.202 416 L C 1.453 178.345 176.870 0.037 0.000 1.234 416 L CA 1.247 56.107 54.840 0.033 0.000 1.175 416 L CB -0.361 41.697 42.059 -0.000 0.000 1.136 416 L HN 0.354 nan 8.230 nan 0.000 0.643 417 A N -1.009 121.786 122.820 -0.043 0.000 2.282 417 A HA 0.827 5.147 4.320 -0.000 0.000 0.319 417 A C -0.929 176.344 177.584 -0.518 0.000 1.121 417 A CA 0.116 51.975 52.037 -0.295 0.000 0.836 417 A CB 0.736 19.543 19.000 -0.322 0.000 1.146 417 A HN 0.692 nan 8.150 nan 0.000 0.494 418 A N 0.084 122.400 122.820 -0.840 0.000 2.589 418 A HA 0.701 5.021 4.320 -0.000 0.000 0.296 418 A C -1.714 175.314 177.584 -0.927 0.000 1.062 418 A CA -0.432 51.062 52.037 -0.904 0.000 0.686 418 A CB 0.809 19.162 19.000 -1.078 0.000 1.282 418 A HN 0.860 nan 8.150 nan 0.000 0.404 419 Y N 0.409 120.508 120.300 -0.335 0.000 2.499 419 Y HA 0.745 5.295 4.550 -0.000 0.000 0.347 419 Y C -0.439 175.178 175.900 -0.472 0.000 0.987 419 Y CA -1.027 56.840 58.100 -0.388 0.000 1.044 419 Y CB 2.406 40.623 38.460 -0.406 0.000 1.245 419 Y HN 0.694 nan 8.280 nan 0.000 0.461 420 L N 2.917 123.974 121.223 -0.277 0.000 2.516 420 L HA 0.547 4.887 4.340 -0.000 0.000 0.267 420 L C -2.403 174.354 176.870 -0.187 0.000 0.957 420 L CA -1.059 53.673 54.840 -0.179 0.000 0.860 420 L CB 1.075 43.057 42.059 -0.129 0.000 1.265 420 L HN 0.587 nan 8.230 nan 0.000 0.403 421 Y N 3.648 123.907 120.300 -0.068 0.000 2.345 421 Y HA 0.762 5.312 4.550 -0.000 0.000 0.331 421 Y C 0.314 176.317 175.900 0.172 0.000 0.959 421 Y CA 0.003 58.122 58.100 0.033 0.000 1.204 421 Y CB 2.019 40.503 38.460 0.039 0.000 1.135 421 Y HN 0.761 nan 8.280 nan 0.000 0.477 422 S N 2.285 118.093 115.700 0.180 0.000 2.565 422 S HA 0.523 4.993 4.470 -0.000 0.000 0.269 422 S C -0.296 174.335 174.600 0.051 0.000 1.153 422 S CA -0.730 57.546 58.200 0.128 0.000 0.835 422 S CB 1.619 64.812 63.200 -0.011 0.000 1.122 422 S HN 0.673 nan 8.310 nan 0.000 0.462 423 R N 1.082 121.604 120.500 0.038 0.000 2.404 423 R HA 0.387 4.727 4.340 -0.000 0.000 0.237 423 R C -0.616 175.688 176.300 0.007 0.000 0.907 423 R CA 0.085 56.204 56.100 0.032 0.000 1.063 423 R CB 0.136 30.468 30.300 0.052 0.000 1.134 423 R HN 0.671 nan 8.270 nan 0.000 0.529 424 D N 0.005 120.390 120.400 -0.024 0.000 2.316 424 D HA 0.037 4.676 4.640 -0.000 0.000 0.245 424 D C 1.288 177.582 176.300 -0.010 0.000 1.171 424 D CA -0.102 53.880 54.000 -0.031 0.000 0.856 424 D CB 0.675 41.434 40.800 -0.068 0.000 1.090 424 D HN -0.086 nan 8.370 nan 0.000 0.476 425 I N 3.852 124.435 120.570 0.022 0.000 2.208 425 I HA -0.124 4.046 4.170 -0.000 0.000 0.245 425 I C 1.702 177.893 176.117 0.123 0.000 1.097 425 I CA 1.494 62.844 61.300 0.083 0.000 1.363 425 I CB -0.600 37.435 38.000 0.058 0.000 1.051 425 I HN 0.639 nan 8.210 nan 0.000 0.413 426 G N 0.219 109.041 108.800 0.037 0.000 2.430 426 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 426 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 426 G C 1.839 176.761 174.900 0.037 0.000 1.146 426 G CA 0.496 45.613 45.100 0.028 0.000 0.793 426 G HN 0.374 nan 8.290 nan 0.000 0.537 427 R N 0.105 120.587 120.500 -0.030 0.000 2.092 427 R HA 0.015 4.355 4.340 -0.000 0.000 0.231 427 R C 2.413 178.661 176.300 -0.088 0.000 1.119 427 R CA 1.165 57.198 56.100 -0.113 0.000 0.970 427 R CB -0.353 29.785 30.300 -0.270 0.000 0.864 427 R HN 0.198 nan 8.270 nan 0.000 0.440 428 V N 0.284 120.177 119.914 -0.035 0.000 2.233 428 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 428 V C 1.925 178.005 176.094 -0.022 0.000 1.050 428 V CA 2.151 64.428 62.300 -0.038 0.000 1.010 428 V CB -0.655 31.152 31.823 -0.026 0.000 0.637 428 V HN 0.456 nan 8.190 nan 0.000 0.444 429 W N 0.284 121.540 121.300 -0.074 0.000 2.335 429 W HA -0.145 4.514 4.660 -0.000 0.000 0.311 429 W C 2.824 179.310 176.519 -0.055 0.000 1.213 429 W CA 1.820 59.130 57.345 -0.059 0.000 1.274 429 W CB -0.479 28.951 29.460 -0.050 0.000 1.148 429 W HN 0.065 nan 8.180 nan 0.000 0.498 430 R N -0.471 120.132 120.500 0.173 0.000 2.091 430 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 430 R C 1.832 178.154 176.300 0.036 0.000 1.136 430 R CA 1.890 58.042 56.100 0.086 0.000 0.959 430 R CB -0.974 29.352 30.300 0.043 0.000 0.856 430 R HN 0.160 nan 8.270 nan 0.000 0.437 431 V N 0.420 120.339 119.914 0.009 0.000 2.407 431 V HA -0.108 4.012 4.120 -0.000 0.000 0.245 431 V C 2.409 178.477 176.094 -0.045 0.000 1.041 431 V CA 1.624 63.923 62.300 -0.002 0.000 1.040 431 V CB -0.592 31.261 31.823 0.050 0.000 0.671 431 V HN 0.347 nan 8.190 nan 0.000 0.455 432 A N -0.103 122.662 122.820 -0.092 0.000 1.908 432 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 432 A C 2.180 179.692 177.584 -0.121 0.000 1.181 432 A CA 2.127 54.067 52.037 -0.161 0.000 0.627 432 A CB -0.499 18.322 19.000 -0.298 0.000 0.818 432 A HN 0.617 nan 8.150 nan 0.000 0.445 433 E N -0.619 119.540 120.200 -0.069 0.000 2.106 433 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 433 E C 2.253 178.842 176.600 -0.018 0.000 0.984 433 E CA 0.829 57.216 56.400 -0.022 0.000 0.806 433 E CB -0.230 29.507 29.700 0.063 0.000 0.750 433 E HN 0.629 nan 8.360 nan 0.000 0.458 434 A N 1.042 123.854 122.820 -0.014 0.000 2.014 434 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 434 A C 1.213 178.782 177.584 -0.024 0.000 1.163 434 A CA 0.307 52.333 52.037 -0.018 0.000 0.652 434 A CB -0.306 18.686 19.000 -0.015 0.000 0.808 434 A HN 0.088 nan 8.150 nan 0.000 0.449 435 L N 1.597 122.811 121.223 -0.015 0.000 2.477 435 L HA 0.051 4.391 4.340 -0.000 0.000 0.272 435 L C 0.004 176.909 176.870 0.059 0.000 1.157 435 L CA -0.169 54.702 54.840 0.052 0.000 0.889 435 L CB 0.496 42.583 42.059 0.046 0.000 1.158 435 L HN 0.341 nan 8.230 nan 0.000 0.473 436 E N 4.989 125.183 120.200 -0.011 0.000 1.972 436 E HA 0.148 4.498 4.350 -0.000 0.000 0.292 436 E C -1.354 174.964 176.600 -0.471 0.000 1.193 436 E CA 0.070 56.349 56.400 -0.201 0.000 1.228 436 E CB -0.023 29.528 29.700 -0.248 0.000 1.167 436 E HN 0.361 nan 8.360 nan 0.000 0.479 437 Y N -1.324 118.895 120.300 -0.134 0.000 2.504 437 Y HA 0.282 4.832 4.550 -0.000 0.000 0.344 437 Y C 1.276 177.070 175.900 -0.177 0.000 1.023 437 Y CA -0.931 57.076 58.100 -0.156 0.000 1.020 437 Y CB 1.860 40.206 38.460 -0.190 0.000 1.282 437 Y HN 0.263 nan 8.280 nan 0.000 0.454 438 G N 1.562 110.327 108.800 -0.059 0.000 2.448 438 G HA2 0.040 4.000 3.960 -0.000 0.000 0.218 438 G HA3 0.040 4.000 3.960 -0.000 0.000 0.218 438 G C 0.097 174.892 174.900 -0.175 0.000 1.135 438 G CA 0.532 45.551 45.100 -0.135 0.000 0.784 438 G HN 0.435 nan 8.290 nan 0.000 0.543 439 M N 0.015 119.502 119.600 -0.188 0.000 2.378 439 M HA 0.481 4.961 4.480 -0.000 0.000 0.289 439 M C -1.783 174.333 176.300 -0.307 0.000 1.136 439 M CA -0.530 54.612 55.300 -0.262 0.000 0.917 439 M CB 3.539 35.926 32.600 -0.356 0.000 1.669 439 M HN -0.243 nan 8.290 nan 0.000 0.461 440 V N 1.364 121.093 119.914 -0.307 0.000 2.524 440 V HA 0.656 4.776 4.120 -0.000 0.000 0.297 440 V C 0.115 176.012 176.094 -0.327 0.000 1.035 440 V CA -0.861 61.221 62.300 -0.362 0.000 0.867 440 V CB 1.816 33.463 31.823 -0.293 0.000 1.004 440 V HN 1.009 nan 8.190 nan 0.000 0.426 441 G N 4.582 113.156 108.800 -0.377 0.000 2.333 441 G HA2 0.647 4.607 3.960 -0.000 0.000 0.290 441 G HA3 0.647 4.607 3.960 -0.000 0.000 0.290 441 G C -0.594 174.180 174.900 -0.210 0.000 1.150 441 G CA -0.311 44.687 45.100 -0.170 0.000 0.895 441 G HN 0.656 nan 8.290 nan 0.000 0.444 442 I N 2.739 123.171 120.570 -0.230 0.000 2.328 442 I HA 0.134 4.304 4.170 -0.000 0.000 0.287 442 I C -0.006 175.877 176.117 -0.391 0.000 1.012 442 I CA -0.747 60.375 61.300 -0.296 0.000 1.195 442 I CB 1.172 39.025 38.000 -0.244 0.000 1.350 442 I HN 0.502 nan 8.210 nan 0.000 0.464 443 N N 2.495 120.737 118.700 -0.763 0.000 2.696 443 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 443 N C -0.108 175.001 175.510 -0.668 0.000 1.090 443 N CA 1.245 53.544 53.050 -1.251 0.000 0.716 443 N CB -0.938 37.247 38.487 -0.504 0.000 1.020 443 N HN 0.718 nan 8.380 nan 0.000 0.548 444 T N -2.776 111.543 114.554 -0.391 0.000 2.923 444 T HA 0.595 4.944 4.350 -0.000 0.000 0.311 444 T C 0.939 175.789 174.700 0.250 0.000 1.183 444 T CA 0.078 62.214 62.100 0.060 0.000 1.020 444 T CB 1.590 70.484 68.868 0.044 0.000 1.165 444 T HN 0.082 nan 8.240 nan 0.000 0.482 445 G N 2.345 111.326 108.800 0.302 0.000 3.020 445 G HA2 0.343 4.303 3.960 -0.000 0.000 0.217 445 G HA3 0.343 4.303 3.960 -0.000 0.000 0.217 445 G C 0.058 175.029 174.900 0.118 0.000 1.144 445 G CA -0.047 45.152 45.100 0.164 0.000 0.760 445 G HN 0.587 nan 8.290 nan 0.000 0.548 446 L N 1.566 122.901 121.223 0.186 0.000 2.342 446 L HA 0.461 4.801 4.340 -0.000 0.000 0.276 446 L C 0.599 177.565 176.870 0.160 0.000 0.997 446 L CA -0.613 54.324 54.840 0.162 0.000 0.838 446 L CB 1.798 43.917 42.059 0.100 0.000 1.224 446 L HN 0.225 nan 8.230 nan 0.000 0.416 447 I N -2.271 118.411 120.570 0.187 0.000 4.227 447 I HA 0.262 4.432 4.170 -0.000 0.000 0.334 447 I C 0.418 176.607 176.117 0.120 0.000 1.341 447 I CA -0.039 61.333 61.300 0.119 0.000 1.123 447 I CB 0.907 38.947 38.000 0.066 0.000 1.097 447 I HN 0.305 nan 8.210 nan 0.000 0.399 448 S N 3.291 119.083 115.700 0.154 0.000 2.499 448 S HA 0.490 4.960 4.470 -0.000 0.000 0.275 448 S C -0.364 174.361 174.600 0.209 0.000 1.257 448 S CA -0.431 57.904 58.200 0.226 0.000 1.050 448 S CB 0.339 63.642 63.200 0.172 0.000 0.937 448 S HN 0.760 nan 8.310 nan 0.000 0.490 449 N N 0.326 119.164 118.700 0.230 0.000 3.116 449 N HA 0.189 4.929 4.740 -0.000 0.000 0.244 449 N C 0.208 175.587 175.510 -0.217 0.000 1.485 449 N CA -0.927 52.162 53.050 0.064 0.000 0.884 449 N CB 0.525 38.987 38.487 -0.042 0.000 1.415 449 N HN 0.333 nan 8.380 nan 0.000 0.524 450 E N -0.171 119.649 120.200 -0.633 0.000 2.358 450 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 450 E C 1.079 177.015 176.600 -1.107 0.000 1.010 450 E CA 1.462 57.211 56.400 -1.085 0.000 0.856 450 E CB -0.068 28.838 29.700 -1.323 0.000 0.795 450 E HN 0.517 nan 8.360 nan 0.000 0.504 451 V N -0.919 118.465 119.914 -0.884 0.000 3.565 451 V HA 0.472 4.592 4.120 -0.000 0.000 0.260 451 V C 0.964 176.830 176.094 -0.379 0.000 1.231 451 V CA 0.310 62.016 62.300 -0.990 0.000 1.100 451 V CB 0.146 31.509 31.823 -0.767 0.000 0.807 451 V HN 0.270 nan 8.190 nan 0.000 0.454 452 A N 2.628 125.325 122.820 -0.205 0.000 2.310 452 A HA 0.795 5.115 4.320 -0.000 0.000 0.299 452 A C -2.623 174.984 177.584 0.038 0.000 1.147 452 A CA -1.829 50.184 52.037 -0.040 0.000 0.818 452 A CB 0.249 19.237 19.000 -0.019 0.000 1.096 452 A HN 0.411 nan 8.150 nan 0.000 0.495 453 P HA 0.211 nan 4.420 nan 0.000 0.276 453 P C -1.083 176.264 177.300 0.080 0.000 1.253 453 P CA 0.290 63.441 63.100 0.086 0.000 0.766 453 P CB 0.256 31.939 31.700 -0.027 0.000 0.845 454 F N 3.722 123.677 119.950 0.009 0.000 2.436 454 F HA 0.694 5.221 4.527 -0.000 0.000 0.340 454 F C 0.449 176.238 175.800 -0.018 0.000 1.113 454 F CA 0.570 58.571 58.000 0.000 0.000 1.022 454 F CB 1.566 40.588 39.000 0.035 0.000 1.128 454 F HN 0.630 nan 8.300 nan 0.000 0.466 455 G N 2.504 111.167 108.800 -0.228 0.000 2.320 455 G HA2 0.458 4.418 3.960 -0.000 0.000 0.297 455 G HA3 0.458 4.418 3.960 -0.000 0.000 0.297 455 G C -1.512 173.270 174.900 -0.197 0.000 1.344 455 G CA -0.234 44.815 45.100 -0.085 0.000 0.851 455 G HN 1.028 nan 8.290 nan 0.000 0.567 456 G N -1.807 106.932 108.800 -0.103 0.000 3.013 456 G HA2 0.991 4.951 3.960 -0.000 0.000 0.278 456 G HA3 0.991 4.951 3.960 -0.000 0.000 0.278 456 G C -0.158 174.691 174.900 -0.085 0.000 1.353 456 G CA 0.240 45.279 45.100 -0.101 0.000 1.043 456 G HN 1.934 nan 8.290 nan 0.000 0.523 457 V N -3.188 116.665 119.914 -0.101 0.000 3.182 457 V HA 0.848 4.968 4.120 -0.000 0.000 0.311 457 V C 0.687 176.725 176.094 -0.093 0.000 1.221 457 V CA -0.386 61.853 62.300 -0.101 0.000 1.060 457 V CB 0.950 32.697 31.823 -0.128 0.000 1.164 457 V HN 1.091 nan 8.190 nan 0.000 0.466 458 K N -1.160 119.185 120.400 -0.093 0.000 1.939 458 K HA -0.244 4.076 4.320 -0.000 0.000 0.165 458 K C 1.166 177.746 176.600 -0.033 0.000 1.508 458 K CA 1.807 58.042 56.287 -0.087 0.000 0.525 458 K CB -1.225 31.190 32.500 -0.141 0.000 0.615 458 K HN 0.812 nan 8.250 nan 0.000 0.888 459 Q N 0.587 120.377 119.800 -0.017 0.000 2.515 459 Q HA 0.033 4.373 4.340 -0.000 0.000 0.212 459 Q C 1.382 177.504 176.000 0.202 0.000 0.970 459 Q CA 1.062 56.912 55.803 0.078 0.000 0.941 459 Q CB 0.168 28.919 28.738 0.021 0.000 0.998 459 Q HN 0.374 nan 8.270 nan 0.000 0.518 460 S N -0.229 115.559 115.700 0.145 0.000 2.603 460 S HA 0.260 4.730 4.470 -0.000 0.000 0.220 460 S C 0.928 175.566 174.600 0.063 0.000 0.967 460 S CA 0.450 58.718 58.200 0.113 0.000 0.920 460 S CB 0.222 63.457 63.200 0.057 0.000 0.773 460 S HN 0.633 nan 8.310 nan 0.000 0.529 461 G N 0.683 109.515 108.800 0.054 0.000 2.384 461 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.204 461 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.204 461 G C -1.495 173.416 174.900 0.017 0.000 1.237 461 G CA -0.939 44.190 45.100 0.047 0.000 1.060 461 G HN 0.280 nan 8.290 nan 0.000 0.514 462 L N 0.537 121.773 121.223 0.020 0.000 2.401 462 L HA 0.745 5.085 4.340 -0.000 0.000 0.266 462 L C 0.780 177.652 176.870 0.003 0.000 0.991 462 L CA -0.022 54.820 54.840 0.003 0.000 0.818 462 L CB 1.774 43.834 42.059 0.003 0.000 1.321 462 L HN 2.618 nan 8.230 nan 0.000 0.413 463 G N 1.716 110.512 108.800 -0.007 0.000 2.712 463 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.683 463 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.683 463 G C -1.469 173.441 174.900 0.018 0.000 1.320 463 G CA -0.962 44.140 45.100 0.003 0.000 0.847 463 G HN 0.489 nan 8.290 nan 0.000 0.553 464 R N 0.374 120.905 120.500 0.051 0.000 2.604 464 R HA 0.505 4.845 4.340 -0.000 0.000 0.281 464 R C -0.454 175.949 176.300 0.172 0.000 1.020 464 R CA -0.685 55.466 56.100 0.086 0.000 0.899 464 R CB 1.901 32.209 30.300 0.013 0.000 1.205 464 R HN 0.757 nan 8.270 nan 0.000 0.450 465 E N 0.307 120.636 120.200 0.215 0.000 2.221 465 E HA 0.632 4.982 4.350 -0.000 0.000 0.268 465 E C 0.081 176.876 176.600 0.325 0.000 0.933 465 E CA -0.592 55.955 56.400 0.245 0.000 0.809 465 E CB 1.953 31.715 29.700 0.104 0.000 1.190 465 E HN 0.758 nan 8.360 nan 0.000 0.406 466 G N 1.734 110.836 108.800 0.503 0.000 2.782 466 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.228 466 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.228 466 G C 0.042 175.080 174.900 0.229 0.000 1.372 466 G CA -0.137 45.184 45.100 0.369 0.000 0.862 466 G HN 1.548 nan 8.290 nan 0.000 0.547 467 S N -2.914 112.720 115.700 -0.110 0.000 3.460 467 S HA -0.228 4.242 4.470 -0.000 0.000 0.637 467 S C 0.997 175.880 174.600 0.472 0.000 2.505 467 S CA 2.088 60.346 58.200 0.096 0.000 2.686 467 S CB -1.108 62.171 63.200 0.131 0.000 0.330 467 S HN 2.852 nan 8.310 nan 0.000 1.795 468 H N -0.390 118.887 119.070 0.345 0.000 2.547 468 H HA 0.286 4.842 4.556 -0.000 0.000 0.272 468 H C 1.421 176.809 175.328 0.101 0.000 0.989 468 H CA 1.331 57.487 56.048 0.180 0.000 1.214 468 H CB -0.528 29.225 29.762 -0.014 0.000 1.389 468 H HN 0.572 nan 8.280 nan 0.000 0.577 469 Y N 0.941 121.132 120.300 -0.182 0.000 2.457 469 Y HA 0.146 4.696 4.550 -0.000 0.000 0.292 469 Y C 2.716 178.707 175.900 0.151 0.000 1.125 469 Y CA 0.757 58.817 58.100 -0.067 0.000 1.254 469 Y CB -0.278 38.093 38.460 -0.148 0.000 1.012 469 Y HN 0.467 nan 8.280 nan 0.000 0.555 470 G N 0.313 109.372 108.800 0.432 0.000 2.446 470 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 470 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 470 G C 1.698 176.866 174.900 0.447 0.000 1.168 470 G CA 1.109 46.511 45.100 0.503 0.000 0.771 470 G HN 0.463 nan 8.290 nan 0.000 0.551 471 I N 0.537 121.386 120.570 0.464 0.000 2.756 471 I HA -0.068 4.102 4.170 -0.000 0.000 0.262 471 I C 1.761 178.072 176.117 0.323 0.000 1.225 471 I CA 0.771 62.283 61.300 0.353 0.000 1.472 471 I CB 0.002 38.192 38.000 0.316 0.000 1.094 471 I HN 0.021 nan 8.210 nan 0.000 0.454 472 D N 1.002 121.566 120.400 0.273 0.000 2.149 472 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 472 D C 1.608 177.997 176.300 0.149 0.000 0.990 472 D CA 1.240 55.359 54.000 0.199 0.000 0.839 472 D CB -0.252 40.665 40.800 0.195 0.000 0.948 472 D HN 0.410 nan 8.370 nan 0.000 0.460 473 D N -0.710 119.760 120.400 0.117 0.000 2.312 473 D HA -0.097 4.543 4.640 -0.000 0.000 0.211 473 D C 1.336 177.548 176.300 -0.146 0.000 0.964 473 D CA 0.488 54.456 54.000 -0.053 0.000 0.877 473 D CB -0.015 40.689 40.800 -0.159 0.000 0.924 473 D HN 0.381 nan 8.370 nan 0.000 0.515 474 Y N 0.355 120.673 120.300 0.030 0.000 2.482 474 Y HA 0.044 4.594 4.550 -0.000 0.000 0.270 474 Y C 1.131 177.054 175.900 0.038 0.000 1.152 474 Y CA -0.255 57.853 58.100 0.013 0.000 1.292 474 Y CB 0.462 38.921 38.460 -0.003 0.000 1.070 474 Y HN -0.205 nan 8.280 nan 0.000 0.528 475 V N -2.702 117.322 119.914 0.184 0.000 3.096 475 V HA 0.780 4.900 4.120 -0.000 0.000 0.319 475 V C -0.630 175.529 176.094 0.107 0.000 1.103 475 V CA -1.209 61.180 62.300 0.149 0.000 1.016 475 V CB 1.896 33.806 31.823 0.145 0.000 1.090 475 V HN -0.295 nan 8.190 nan 0.000 0.449 476 V N 2.251 122.230 119.914 0.109 0.000 2.962 476 V HA 0.680 4.800 4.120 -0.000 0.000 0.313 476 V C -0.565 175.584 176.094 0.091 0.000 1.099 476 V CA -0.564 61.789 62.300 0.090 0.000 0.971 476 V CB 2.050 33.925 31.823 0.087 0.000 1.028 476 V HN 1.156 nan 8.190 nan 0.000 0.430 477 I N 2.303 122.922 120.570 0.082 0.000 2.525 477 I HA 0.688 4.858 4.170 -0.000 0.000 0.301 477 I C -0.726 175.446 176.117 0.093 0.000 0.992 477 I CA -0.371 60.980 61.300 0.084 0.000 1.162 477 I CB 1.511 39.557 38.000 0.076 0.000 1.332 477 I HN 0.656 nan 8.210 nan 0.000 0.458 478 K N 5.063 125.522 120.400 0.099 0.000 2.376 478 K HA 0.315 4.635 4.320 -0.000 0.000 0.257 478 K C -1.910 174.785 176.600 0.158 0.000 0.939 478 K CA -0.744 55.607 56.287 0.106 0.000 0.809 478 K CB 1.409 33.951 32.500 0.070 0.000 1.121 478 K HN 0.703 nan 8.250 nan 0.000 0.425 479 Y N 6.070 126.383 120.300 0.021 0.000 2.367 479 Y HA 0.357 4.907 4.550 -0.000 0.000 0.342 479 Y C -1.493 174.415 175.900 0.013 0.000 0.979 479 Y CA -1.037 57.074 58.100 0.017 0.000 1.161 479 Y CB 0.564 39.034 38.460 0.017 0.000 1.155 479 Y HN 0.444 nan 8.280 nan 0.000 0.503 480 L N 7.643 128.842 121.223 -0.040 0.000 2.280 480 L HA 0.375 4.715 4.340 -0.000 0.000 0.287 480 L C -0.568 176.161 176.870 -0.234 0.000 1.023 480 L CA -0.726 54.000 54.840 -0.190 0.000 0.819 480 L CB 1.210 43.239 42.059 -0.050 0.000 1.212 480 L HN 0.730 nan 8.230 nan 0.000 0.420 481 C N 5.400 124.447 119.300 -0.421 0.000 2.239 481 C HA 0.592 5.052 4.460 -0.000 0.000 0.323 481 C C 0.176 175.100 174.990 -0.111 0.000 1.205 481 C CA -0.398 58.480 59.018 -0.234 0.000 1.584 481 C CB 0.086 27.615 27.740 -0.352 0.000 2.201 481 C HN 0.578 nan 8.230 nan 0.000 0.475 482 V N 6.857 126.748 119.914 -0.038 0.000 2.350 482 V HA 0.541 4.661 4.120 -0.000 0.000 0.276 482 V C 0.876 176.964 176.094 -0.010 0.000 1.028 482 V CA -0.323 61.961 62.300 -0.027 0.000 0.860 482 V CB 1.102 32.916 31.823 -0.014 0.000 0.990 482 V HN 1.043 nan 8.190 nan 0.000 0.453 483 A N 5.092 127.903 122.820 -0.015 0.000 2.488 483 A HA 0.543 4.863 4.320 -0.000 0.000 0.249 483 A C 0.001 177.583 177.584 -0.004 0.000 1.083 483 A CA 0.143 52.176 52.037 -0.007 0.000 0.768 483 A CB 0.634 19.628 19.000 -0.010 0.000 1.017 483 A HN 0.684 nan 8.150 nan 0.000 0.496 484 V N 0.000 119.915 119.914 0.001 0.000 2.409 484 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 484 V CA 0.000 62.301 62.300 0.001 0.000 1.235 484 V CB 0.000 31.826 31.823 0.005 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556