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 2wme_1_G DATA FIRST_RESID 2 DATA SEQUENCE ARFEEQKLYI GGRYVEASSG ATFETINPAN GEVLAKVQRA SREDVERAVQ DATA SEQUENCE SAVEGQKVWA AMTAMQRSRI LRRAVDILRE RNDELAALET LDTGKPLAET DATA SEQUENCE RSVDIVTGAD VLEYYAGLVP AIEGEQIPLR ETSFVYTRRE PLGVVAGIGA DATA SEQUENCE WNYPVQIALW KSAPALAAGN AMIFKPSEVT PLTALKLAEI YTEAGVPDGV DATA SEQUENCE FNVLTGSGRE VGQWLTEHPL IEKISFTGGT STGKKVMASA SSSSLKEVTM DATA SEQUENCE ELGGKSPLII FPDADLDRAA DIAVMANFFS SGQVCTNGTR VFIHRSQQAR DATA SEQUENCE FEAKVLERVQ RIRLGDPQDE NTNFGPLVSF PHMESVLGYI ESGKAQKARL DATA SEQUENCE LCGGERVTDG AFGKGAYVAP TVFTDCRDDM TIVREEIFGP VMSILVYDDE DATA SEQUENCE DEAIRRANDT EYGLAAGVVT QDLARAHRAI HRLEAGICWI NTWGESPAEM DATA SEQUENCE PVGGYKQSGV GRENGLTTLA HYTRIKSVQV ELGDYASVF 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.508 177.584 -0.126 0.000 1.274 2 A CA 0.000 51.995 52.037 -0.070 0.000 0.836 2 A CB 0.000 18.979 19.000 -0.035 0.000 0.831 3 R N 0.001 120.357 120.500 -0.240 0.000 2.090 3 R HA 0.119 4.461 4.340 0.004 0.000 0.228 3 R C -0.352 175.649 176.300 -0.497 0.000 1.110 3 R CA 1.416 57.242 56.100 -0.458 0.000 0.973 3 R CB -0.104 29.733 30.300 -0.771 0.000 0.869 3 R HN 0.590 nan 8.270 nan 0.000 0.440 4 F N 0.777 120.711 119.950 -0.026 0.000 2.557 4 F HA 0.342 4.871 4.527 0.004 0.000 0.336 4 F C 0.402 176.175 175.800 -0.045 0.000 1.058 4 F CA -1.208 56.772 58.000 -0.034 0.000 0.988 4 F CB 0.591 39.570 39.000 -0.035 0.000 1.275 4 F HN -0.172 nan 8.300 nan 0.000 0.488 5 E N 0.410 120.716 120.200 0.177 0.000 2.436 5 E HA -0.045 4.307 4.350 0.004 0.000 0.262 5 E C -0.297 176.314 176.600 0.019 0.000 1.063 5 E CA -0.064 56.366 56.400 0.050 0.000 0.944 5 E CB 0.434 30.133 29.700 -0.003 0.000 0.950 5 E HN 0.533 nan 8.360 nan 0.000 0.444 6 E N 2.180 122.370 120.200 -0.017 0.000 2.608 6 E HA -0.153 4.199 4.350 0.004 0.000 0.259 6 E C -0.593 175.964 176.600 -0.073 0.000 0.951 6 E CA 0.138 56.513 56.400 -0.042 0.000 0.945 6 E CB 0.463 30.140 29.700 -0.039 0.000 0.916 6 E HN 0.164 nan 8.360 nan 0.000 0.477 7 Q N 3.530 123.286 119.800 -0.073 0.000 2.296 7 Q HA 0.232 4.574 4.340 0.004 0.000 0.257 7 Q C -0.711 175.289 176.000 -0.000 0.000 0.942 7 Q CA -0.142 55.624 55.803 -0.062 0.000 0.939 7 Q CB 1.482 30.197 28.738 -0.037 0.000 1.198 7 Q HN 0.345 nan 8.270 nan 0.000 0.429 8 K N 1.001 121.435 120.400 0.057 0.000 2.210 8 K HA 0.534 4.856 4.320 0.004 0.000 0.236 8 K C 0.097 176.889 176.600 0.320 0.000 1.016 8 K CA -0.655 55.730 56.287 0.164 0.000 0.913 8 K CB 0.939 33.532 32.500 0.155 0.000 1.141 8 K HN 0.365 nan 8.250 nan 0.000 0.462 9 L N 1.014 122.382 121.223 0.241 0.000 2.464 9 L HA 0.181 4.524 4.340 0.004 0.000 0.264 9 L C -0.399 176.591 176.870 0.200 0.000 1.199 9 L CA -0.169 54.794 54.840 0.206 0.000 0.818 9 L CB 0.059 42.192 42.059 0.124 0.000 1.102 9 L HN 0.526 nan 8.230 nan 0.000 0.473 10 Y N 2.635 122.920 120.300 -0.025 0.000 2.447 10 Y HA 0.564 5.116 4.550 0.004 0.000 0.325 10 Y C -0.574 175.249 175.900 -0.129 0.000 0.976 10 Y CA -0.409 57.569 58.100 -0.203 0.000 1.280 10 Y CB 0.809 39.075 38.460 -0.324 0.000 1.104 10 Y HN 0.315 nan 8.280 nan 0.000 0.486 11 I N 4.647 125.054 120.570 -0.271 0.000 2.466 11 I HA 0.457 4.630 4.170 0.004 0.000 0.289 11 I C 0.528 176.505 176.117 -0.233 0.000 1.026 11 I CA -0.807 60.400 61.300 -0.155 0.000 1.078 11 I CB 2.134 40.087 38.000 -0.078 0.000 1.249 11 I HN 0.818 nan 8.210 nan 0.000 0.429 12 G N 4.078 112.794 108.800 -0.141 0.000 2.225 12 G HA2 -0.042 3.920 3.960 0.004 0.000 0.264 12 G HA3 -0.042 3.920 3.960 0.004 0.000 0.264 12 G C 0.861 175.667 174.900 -0.157 0.000 1.060 12 G CA 0.403 45.436 45.100 -0.111 0.000 0.833 12 G HN 1.626 nan 8.290 nan 0.000 0.498 13 G N -1.522 107.164 108.800 -0.190 0.000 2.136 13 G HA2 0.054 4.017 3.960 0.004 0.000 0.242 13 G HA3 0.054 4.017 3.960 0.004 0.000 0.242 13 G C 0.275 174.943 174.900 -0.386 0.000 0.989 13 G CA 1.305 46.324 45.100 -0.135 0.000 0.682 13 G HN 2.182 nan 8.290 nan 0.000 0.522 14 R N -2.437 117.535 120.500 -0.879 0.000 2.728 14 R HA 0.643 4.986 4.340 0.004 0.000 0.274 14 R C -0.903 174.842 176.300 -0.925 0.000 1.030 14 R CA -1.315 54.371 56.100 -0.691 0.000 0.876 14 R CB 0.651 30.805 30.300 -0.244 0.000 1.259 14 R HN 0.072 nan 8.270 nan 0.000 0.468 15 Y N 0.555 120.660 120.300 -0.325 0.000 2.346 15 Y HA 0.427 4.979 4.550 0.004 0.000 0.330 15 Y C 0.607 176.443 175.900 -0.106 0.000 1.178 15 Y CA 0.028 58.043 58.100 -0.142 0.000 1.331 15 Y CB 1.643 40.106 38.460 0.005 0.000 1.253 15 Y HN 0.498 nan 8.280 nan 0.000 0.529 16 V N -0.354 119.611 119.914 0.084 0.000 3.007 16 V HA 0.525 4.647 4.120 0.004 0.000 0.311 16 V C -0.644 175.493 176.094 0.071 0.000 1.120 16 V CA -1.418 60.908 62.300 0.044 0.000 0.980 16 V CB 2.039 33.856 31.823 -0.011 0.000 1.033 16 V HN 0.572 nan 8.190 nan 0.000 0.429 17 E N 2.367 122.597 120.200 0.050 0.000 2.366 17 E HA 0.408 4.760 4.350 0.004 0.000 0.266 17 E C 0.679 177.310 176.600 0.051 0.000 1.015 17 E CA 0.463 56.893 56.400 0.049 0.000 0.906 17 E CB 1.401 31.121 29.700 0.034 0.000 0.979 17 E HN 1.118 nan 8.360 nan 0.000 0.443 18 A N 2.836 125.695 122.820 0.065 0.000 2.475 18 A HA 0.093 4.415 4.320 0.004 0.000 0.239 18 A C 0.838 178.455 177.584 0.054 0.000 1.087 18 A CA 0.400 52.479 52.037 0.070 0.000 0.779 18 A CB 0.232 19.288 19.000 0.093 0.000 1.036 18 A HN 0.629 nan 8.150 nan 0.000 0.506 19 S N -1.190 114.542 115.700 0.053 0.000 2.809 19 S HA 0.202 4.674 4.470 0.004 0.000 0.248 19 S C 0.754 175.381 174.600 0.045 0.000 1.071 19 S CA 0.369 58.591 58.200 0.038 0.000 1.059 19 S CB -0.237 62.974 63.200 0.019 0.000 0.923 19 S HN 1.309 nan 8.310 nan 0.000 0.516 20 S N 0.550 116.292 115.700 0.070 0.000 2.486 20 S HA 0.412 4.885 4.470 0.004 0.000 0.220 20 S C 1.793 176.437 174.600 0.073 0.000 1.011 20 S CA 0.570 58.822 58.200 0.086 0.000 0.921 20 S CB -0.713 62.567 63.200 0.133 0.000 0.785 20 S HN 1.619 nan 8.310 nan 0.000 0.517 21 G N 1.007 109.844 108.800 0.062 0.000 2.168 21 G HA2 -0.019 3.943 3.960 0.004 0.000 0.257 21 G HA3 -0.019 3.943 3.960 0.004 0.000 0.257 21 G C 0.136 175.075 174.900 0.064 0.000 0.997 21 G CA 0.289 45.421 45.100 0.054 0.000 0.708 21 G HN 1.437 nan 8.290 nan 0.000 0.520 22 A N -1.138 121.732 122.820 0.084 0.000 2.498 22 A HA 1.048 5.370 4.320 0.004 0.000 0.298 22 A C 0.079 177.733 177.584 0.117 0.000 1.075 22 A CA 0.591 52.687 52.037 0.099 0.000 0.714 22 A CB 1.748 20.817 19.000 0.116 0.000 1.299 22 A HN 1.784 nan 8.150 nan 0.000 0.407 23 T N -1.585 113.040 114.554 0.118 0.000 2.838 23 T HA 0.877 5.230 4.350 0.004 0.000 0.292 23 T C -0.566 174.263 174.700 0.215 0.000 1.113 23 T CA -0.471 61.695 62.100 0.110 0.000 1.008 23 T CB 1.242 70.112 68.868 0.004 0.000 1.259 23 T HN 1.630 nan 8.240 nan 0.000 0.520 24 F N -1.492 118.485 119.950 0.044 0.000 2.643 24 F HA 0.857 5.386 4.527 0.004 0.000 0.314 24 F C -0.873 174.952 175.800 0.041 0.000 1.096 24 F CA -1.287 56.736 58.000 0.039 0.000 0.953 24 F CB 1.288 40.311 39.000 0.039 0.000 1.345 24 F HN 0.622 nan 8.300 nan 0.000 0.468 25 E N 0.647 120.938 120.200 0.153 0.000 2.204 25 E HA 0.384 4.737 4.350 0.004 0.000 0.276 25 E C -1.020 175.671 176.600 0.151 0.000 0.974 25 E CA -0.997 55.434 56.400 0.051 0.000 0.815 25 E CB 2.001 31.735 29.700 0.057 0.000 1.119 25 E HN 0.689 nan 8.360 nan 0.000 0.393 26 T N 2.946 117.542 114.554 0.070 0.000 2.829 26 T HA 0.481 4.833 4.350 0.004 0.000 0.282 26 T C -0.645 174.108 174.700 0.087 0.000 0.990 26 T CA -0.705 61.471 62.100 0.126 0.000 1.028 26 T CB 0.358 69.309 68.868 0.139 0.000 0.951 26 T HN 0.237 nan 8.240 nan 0.000 0.460 27 I N 4.503 125.127 120.570 0.090 0.000 2.509 27 I HA 0.364 4.536 4.170 0.004 0.000 0.293 27 I C 0.180 176.339 176.117 0.069 0.000 1.020 27 I CA -1.129 60.217 61.300 0.077 0.000 1.088 27 I CB 1.723 39.783 38.000 0.101 0.000 1.267 27 I HN 0.634 nan 8.210 nan 0.000 0.430 28 N N 8.347 127.082 118.700 0.058 0.000 2.416 28 N HA 0.152 4.894 4.740 0.004 0.000 0.265 28 N C -1.710 173.832 175.510 0.054 0.000 1.195 28 N CA -1.487 51.587 53.050 0.040 0.000 0.943 28 N CB 1.264 39.769 38.487 0.030 0.000 1.115 28 N HN 0.322 nan 8.380 nan 0.000 0.481 29 P HA -0.002 nan 4.420 nan 0.000 0.237 29 P C 0.608 177.806 177.300 -0.170 0.000 1.178 29 P CA 0.401 63.432 63.100 -0.116 0.000 0.766 29 P CB 0.254 31.782 31.700 -0.287 0.000 0.876 30 A N 1.556 124.328 122.820 -0.081 0.000 2.014 30 A HA -0.122 4.200 4.320 0.004 0.000 0.218 30 A C 1.711 179.402 177.584 0.178 0.000 1.163 30 A CA 1.769 53.808 52.037 0.004 0.000 0.652 30 A CB -0.739 18.296 19.000 0.057 0.000 0.808 30 A HN 0.380 nan 8.150 nan 0.000 0.449 31 N N -4.303 114.491 118.700 0.157 0.000 1.952 31 N HA 0.195 4.937 4.740 0.004 0.000 0.228 31 N C 0.835 176.438 175.510 0.154 0.000 1.398 31 N CA 1.116 54.265 53.050 0.164 0.000 0.817 31 N CB -0.382 38.164 38.487 0.099 0.000 1.101 31 N HN 0.805 nan 8.380 nan 0.000 0.498 32 G N 0.620 109.535 108.800 0.191 0.000 2.162 32 G HA2 -0.360 3.602 3.960 0.004 0.000 0.260 32 G HA3 -0.360 3.602 3.960 0.004 0.000 0.260 32 G C -0.304 174.622 174.900 0.043 0.000 0.976 32 G CA 0.432 45.603 45.100 0.118 0.000 0.655 32 G HN 0.680 nan 8.290 nan 0.000 0.533 33 E N 0.477 120.697 120.200 0.033 0.000 2.415 33 E HA 0.322 4.674 4.350 0.004 0.000 0.263 33 E C 0.675 177.269 176.600 -0.010 0.000 0.995 33 E CA -0.417 55.978 56.400 -0.007 0.000 0.915 33 E CB 0.551 30.233 29.700 -0.029 0.000 0.951 33 E HN 0.158 nan 8.360 nan 0.000 0.449 34 V N 7.369 127.268 119.914 -0.026 0.000 2.446 34 V HA -0.060 4.062 4.120 0.004 0.000 0.276 34 V C 1.330 177.393 176.094 -0.052 0.000 1.030 34 V CA 0.341 62.629 62.300 -0.021 0.000 1.033 34 V CB 0.537 32.346 31.823 -0.023 0.000 0.993 34 V HN 0.766 nan 8.190 nan 0.000 0.477 35 L N 4.143 125.356 121.223 -0.017 0.000 2.168 35 L HA 0.425 4.768 4.340 0.004 0.000 0.203 35 L C 0.960 177.868 176.870 0.064 0.000 1.078 35 L CA 1.194 56.021 54.840 -0.021 0.000 0.780 35 L CB -0.045 42.085 42.059 0.119 0.000 0.939 35 L HN 0.788 nan 8.230 nan 0.000 0.451 36 A N -0.845 122.016 122.820 0.069 0.000 2.597 36 A HA 0.457 4.779 4.320 0.004 0.000 0.292 36 A C -1.308 176.254 177.584 -0.037 0.000 1.057 36 A CA -0.751 51.320 52.037 0.057 0.000 0.674 36 A CB 1.062 20.138 19.000 0.127 0.000 1.278 36 A HN -0.084 nan 8.150 nan 0.000 0.416 37 K N 0.562 120.923 120.400 -0.065 0.000 2.174 37 K HA 0.630 4.952 4.320 0.004 0.000 0.275 37 K C -1.009 175.460 176.600 -0.218 0.000 1.015 37 K CA -0.438 55.767 56.287 -0.138 0.000 0.933 37 K CB 1.700 34.152 32.500 -0.080 0.000 1.025 37 K HN 0.436 nan 8.250 nan 0.000 0.463 38 V N 2.946 122.596 119.914 -0.439 0.000 2.638 38 V HA 0.162 4.284 4.120 0.004 0.000 0.306 38 V C -0.430 175.434 176.094 -0.383 0.000 1.052 38 V CA -1.097 60.891 62.300 -0.520 0.000 0.885 38 V CB 1.789 33.031 31.823 -0.969 0.000 0.999 38 V HN 0.728 nan 8.190 nan 0.000 0.424 39 Q N 3.256 122.996 119.800 -0.100 0.000 2.332 39 Q HA 0.396 4.739 4.340 0.004 0.000 0.263 39 Q C -0.349 175.767 176.000 0.194 0.000 0.979 39 Q CA -0.182 55.652 55.803 0.051 0.000 0.885 39 Q CB 1.218 29.999 28.738 0.071 0.000 1.218 39 Q HN 0.528 nan 8.270 nan 0.000 0.405 40 R N 0.976 121.621 120.500 0.242 0.000 2.308 40 R HA 0.408 4.751 4.340 0.004 0.000 0.305 40 R C -0.429 176.002 176.300 0.219 0.000 1.053 40 R CA -0.423 55.844 56.100 0.279 0.000 0.957 40 R CB 0.919 31.373 30.300 0.256 0.000 1.022 40 R HN 0.591 nan 8.270 nan 0.000 0.461 41 A N 2.675 125.632 122.820 0.228 0.000 2.450 41 A HA 0.181 4.503 4.320 0.004 0.000 0.255 41 A C 0.238 178.008 177.584 0.309 0.000 1.096 41 A CA -0.120 52.051 52.037 0.223 0.000 0.778 41 A CB 0.571 19.697 19.000 0.209 0.000 1.031 41 A HN 0.686 nan 8.150 nan 0.000 0.494 42 S N 0.443 116.263 115.700 0.200 0.000 2.600 42 S HA 0.171 4.643 4.470 0.004 0.000 0.265 42 S C 1.659 176.214 174.600 -0.076 0.000 1.325 42 S CA -0.427 57.830 58.200 0.094 0.000 1.002 42 S CB 0.633 63.829 63.200 -0.008 0.000 0.921 42 S HN 0.759 nan 8.310 nan 0.000 0.554 43 R N 1.223 121.336 120.500 -0.645 0.000 2.119 43 R HA -0.181 4.161 4.340 0.004 0.000 0.246 43 R C 2.307 178.436 176.300 -0.285 0.000 1.146 43 R CA 2.097 57.722 56.100 -0.792 0.000 0.962 43 R CB -0.221 29.471 30.300 -1.014 0.000 0.863 43 R HN 0.825 nan 8.270 nan 0.000 0.442 44 E N -0.242 119.846 120.200 -0.187 0.000 2.208 44 E HA -0.166 4.186 4.350 0.004 0.000 0.193 44 E C 0.724 177.304 176.600 -0.034 0.000 0.988 44 E CA 1.155 57.503 56.400 -0.086 0.000 0.828 44 E CB -0.000 29.658 29.700 -0.069 0.000 0.763 44 E HN 0.308 nan 8.360 nan 0.000 0.478 45 D N 1.353 121.746 120.400 -0.012 0.000 2.149 45 D HA -0.086 4.556 4.640 0.004 0.000 0.201 45 D C 2.204 178.524 176.300 0.034 0.000 0.972 45 D CA 0.847 54.862 54.000 0.026 0.000 0.835 45 D CB -0.062 40.777 40.800 0.066 0.000 0.966 45 D HN 0.095 nan 8.370 nan 0.000 0.476 46 V N 1.106 121.053 119.914 0.054 0.000 2.295 46 V HA -0.237 3.885 4.120 0.004 0.000 0.246 46 V C 2.491 178.583 176.094 -0.003 0.000 1.049 46 V CA 1.717 64.057 62.300 0.066 0.000 1.024 46 V CB -0.388 31.539 31.823 0.173 0.000 0.648 46 V HN 0.087 nan 8.190 nan 0.000 0.447 47 E N 0.656 120.867 120.200 0.018 0.000 2.058 47 E HA -0.242 4.110 4.350 0.004 0.000 0.194 47 E C 2.372 178.965 176.600 -0.012 0.000 0.997 47 E CA 1.626 58.047 56.400 0.035 0.000 0.801 47 E CB -0.398 29.337 29.700 0.059 0.000 0.746 47 E HN 0.405 nan 8.360 nan 0.000 0.450 48 R N -0.397 120.097 120.500 -0.010 0.000 2.105 48 R HA -0.121 4.222 4.340 0.004 0.000 0.239 48 R C 2.127 178.410 176.300 -0.028 0.000 1.135 48 R CA 1.387 57.478 56.100 -0.015 0.000 0.967 48 R CB -0.362 29.932 30.300 -0.009 0.000 0.861 48 R HN 0.265 nan 8.270 nan 0.000 0.442 49 A N 0.062 122.863 122.820 -0.033 0.000 1.930 49 A HA -0.078 4.244 4.320 0.004 0.000 0.217 49 A C 2.243 179.786 177.584 -0.069 0.000 1.175 49 A CA 1.314 53.326 52.037 -0.043 0.000 0.627 49 A CB -0.382 18.601 19.000 -0.030 0.000 0.815 49 A HN 0.210 nan 8.150 nan 0.000 0.443 50 V N 0.035 119.879 119.914 -0.118 0.000 2.307 50 V HA -0.248 3.874 4.120 0.004 0.000 0.245 50 V C 2.745 178.792 176.094 -0.079 0.000 1.045 50 V CA 1.990 64.191 62.300 -0.164 0.000 1.024 50 V CB -0.732 30.835 31.823 -0.426 0.000 0.651 50 V HN 0.528 nan 8.190 nan 0.000 0.449 51 Q N -0.280 119.491 119.800 -0.049 0.000 2.096 51 Q HA -0.187 4.155 4.340 0.004 0.000 0.204 51 Q C 2.585 178.577 176.000 -0.013 0.000 0.982 51 Q CA 2.069 57.864 55.803 -0.014 0.000 0.850 51 Q CB -0.859 27.878 28.738 -0.002 0.000 0.901 51 Q HN 0.627 nan 8.270 nan 0.000 0.422 52 S N 0.362 116.049 115.700 -0.022 0.000 2.359 52 S HA -0.149 4.323 4.470 0.004 0.000 0.224 52 S C 1.970 176.560 174.600 -0.016 0.000 1.035 52 S CA 1.384 59.572 58.200 -0.021 0.000 1.018 52 S CB -0.124 63.057 63.200 -0.031 0.000 0.876 52 S HN 0.430 nan 8.310 nan 0.000 0.448 53 A N 0.791 123.598 122.820 -0.023 0.000 1.898 53 A HA 0.027 4.350 4.320 0.004 0.000 0.216 53 A C 2.343 179.932 177.584 0.009 0.000 1.181 53 A CA 1.658 53.687 52.037 -0.013 0.000 0.620 53 A CB -1.070 17.917 19.000 -0.021 0.000 0.819 53 A HN 0.450 nan 8.150 nan 0.000 0.442 54 V N 0.395 120.314 119.914 0.007 0.000 2.252 54 V HA -0.276 3.847 4.120 0.004 0.000 0.249 54 V C 2.648 178.761 176.094 0.032 0.000 1.056 54 V CA 2.345 64.659 62.300 0.024 0.000 1.022 54 V CB -0.754 31.082 31.823 0.023 0.000 0.641 54 V HN 0.517 nan 8.190 nan 0.000 0.445 55 E N 0.495 120.709 120.200 0.024 0.000 2.077 55 E HA -0.146 4.206 4.350 0.004 0.000 0.193 55 E C 2.342 178.965 176.600 0.039 0.000 0.989 55 E CA 1.541 57.958 56.400 0.028 0.000 0.800 55 E CB -0.869 28.842 29.700 0.018 0.000 0.746 55 E HN 0.619 nan 8.360 nan 0.000 0.452 56 G N 1.164 109.983 108.800 0.032 0.000 2.408 56 G HA2 -0.282 3.681 3.960 0.004 0.000 0.217 56 G HA3 -0.282 3.681 3.960 0.004 0.000 0.217 56 G C 1.483 176.436 174.900 0.088 0.000 1.150 56 G CA 0.526 45.651 45.100 0.042 0.000 0.776 56 G HN 0.181 nan 8.290 nan 0.000 0.542 57 Q N 0.746 120.599 119.800 0.088 0.000 2.152 57 Q HA -0.147 4.195 4.340 0.004 0.000 0.206 57 Q C 2.403 178.500 176.000 0.161 0.000 0.985 57 Q CA 1.663 57.556 55.803 0.150 0.000 0.863 57 Q CB -0.247 28.558 28.738 0.113 0.000 0.904 57 Q HN 0.472 nan 8.270 nan 0.000 0.422 58 K N -0.656 119.807 120.400 0.105 0.000 2.063 58 K HA -0.115 4.207 4.320 0.004 0.000 0.208 58 K C 2.167 178.823 176.600 0.094 0.000 1.048 58 K CA 1.512 57.849 56.287 0.083 0.000 0.928 58 K CB 0.006 32.541 32.500 0.057 0.000 0.713 58 K HN 0.050 nan 8.250 nan 0.000 0.442 59 V N 0.378 120.361 119.914 0.115 0.000 2.307 59 V HA -0.242 3.880 4.120 0.004 0.000 0.245 59 V C 1.902 178.111 176.094 0.192 0.000 1.045 59 V CA 1.491 63.866 62.300 0.125 0.000 1.024 59 V CB -0.549 31.343 31.823 0.114 0.000 0.651 59 V HN 0.541 nan 8.190 nan 0.000 0.449 60 W N 0.942 122.241 121.300 -0.001 0.000 2.335 60 W HA -0.252 4.411 4.660 0.004 0.000 0.311 60 W C 2.412 178.926 176.519 -0.008 0.000 1.213 60 W CA 1.597 58.936 57.345 -0.009 0.000 1.274 60 W CB -0.069 29.381 29.460 -0.018 0.000 1.148 60 W HN 0.295 nan 8.180 nan 0.000 0.498 61 A N 0.522 123.372 122.820 0.049 0.000 2.015 61 A HA -0.023 4.300 4.320 0.004 0.000 0.219 61 A C 1.960 179.494 177.584 -0.084 0.000 1.163 61 A CA 1.881 53.873 52.037 -0.075 0.000 0.646 61 A CB -1.094 17.910 19.000 0.007 0.000 0.806 61 A HN 0.308 nan 8.150 nan 0.000 0.448 62 A N -0.942 121.859 122.820 -0.032 0.000 2.167 62 A HA 0.303 4.625 4.320 0.004 0.000 0.214 62 A C 1.248 178.800 177.584 -0.053 0.000 1.151 62 A CA 0.154 52.174 52.037 -0.028 0.000 0.735 62 A CB -0.407 18.596 19.000 0.005 0.000 0.802 62 A HN 0.554 nan 8.150 nan 0.000 0.467 63 M N 0.699 120.243 119.600 -0.093 0.000 2.198 63 M HA 0.155 4.638 4.480 0.004 0.000 0.315 63 M C 1.064 177.275 176.300 -0.149 0.000 1.134 63 M CA 0.068 55.297 55.300 -0.118 0.000 1.171 63 M CB 0.425 32.917 32.600 -0.181 0.000 1.413 63 M HN 0.415 nan 8.290 nan 0.000 0.467 64 T N -0.752 113.729 114.554 -0.121 0.000 2.856 64 T HA 0.305 4.657 4.350 0.004 0.000 0.306 64 T C 1.145 175.744 174.700 -0.169 0.000 1.062 64 T CA -0.302 61.727 62.100 -0.118 0.000 1.083 64 T CB 0.899 69.720 68.868 -0.078 0.000 0.984 64 T HN 0.694 nan 8.240 nan 0.000 0.542 65 A N 2.142 124.875 122.820 -0.146 0.000 1.903 65 A HA -0.160 4.162 4.320 0.004 0.000 0.219 65 A C 2.272 179.778 177.584 -0.130 0.000 1.191 65 A CA 2.362 54.309 52.037 -0.149 0.000 0.638 65 A CB -1.010 17.928 19.000 -0.102 0.000 0.823 65 A HN 0.868 nan 8.150 nan 0.000 0.451 66 M N -0.471 119.075 119.600 -0.091 0.000 2.254 66 M HA -0.091 4.392 4.480 0.004 0.000 0.265 66 M C 2.075 178.338 176.300 -0.061 0.000 1.066 66 M CA 1.613 56.875 55.300 -0.063 0.000 1.123 66 M CB -0.635 31.939 32.600 -0.042 0.000 1.388 66 M HN 0.548 nan 8.290 nan 0.000 0.425 67 Q N -0.681 119.071 119.800 -0.080 0.000 2.096 67 Q HA -0.199 4.143 4.340 0.004 0.000 0.204 67 Q C 2.177 178.127 176.000 -0.084 0.000 0.982 67 Q CA 1.788 57.552 55.803 -0.064 0.000 0.850 67 Q CB -0.186 28.512 28.738 -0.068 0.000 0.901 67 Q HN 0.526 nan 8.270 nan 0.000 0.422 68 R N -0.139 120.214 120.500 -0.245 0.000 2.070 68 R HA -0.110 4.232 4.340 0.004 0.000 0.233 68 R C 2.594 178.876 176.300 -0.029 0.000 1.137 68 R CA 1.310 57.188 56.100 -0.369 0.000 0.945 68 R CB -0.593 29.189 30.300 -0.863 0.000 0.845 68 R HN 0.130 nan 8.270 nan 0.000 0.430 69 S N 0.710 116.382 115.700 -0.048 0.000 2.378 69 S HA -0.248 4.224 4.470 0.004 0.000 0.229 69 S C 1.965 176.598 174.600 0.055 0.000 1.052 69 S CA 1.728 59.937 58.200 0.014 0.000 1.084 69 S CB -0.088 63.102 63.200 -0.015 0.000 0.950 69 S HN 0.282 nan 8.310 nan 0.000 0.440 70 R N 0.042 120.569 120.500 0.044 0.000 2.081 70 R HA 0.039 4.381 4.340 0.004 0.000 0.235 70 R C 2.384 178.740 176.300 0.094 0.000 1.131 70 R CA 1.763 57.898 56.100 0.058 0.000 0.960 70 R CB -0.453 29.871 30.300 0.041 0.000 0.856 70 R HN 0.485 nan 8.270 nan 0.000 0.436 71 I N 0.702 121.357 120.570 0.143 0.000 2.179 71 I HA -0.299 3.874 4.170 0.004 0.000 0.242 71 I C 2.139 178.371 176.117 0.192 0.000 1.088 71 I CA 1.347 62.764 61.300 0.194 0.000 1.357 71 I CB -0.243 37.947 38.000 0.318 0.000 1.051 71 I HN 0.142 nan 8.210 nan 0.000 0.409 72 L N -0.011 121.348 121.223 0.226 0.000 2.046 72 L HA -0.203 4.139 4.340 0.004 0.000 0.208 72 L C 2.727 179.681 176.870 0.140 0.000 1.077 72 L CA 1.380 56.341 54.840 0.203 0.000 0.747 72 L CB -0.614 41.574 42.059 0.215 0.000 0.896 72 L HN 0.163 nan 8.230 nan 0.000 0.432 73 R N -0.223 120.341 120.500 0.106 0.000 2.096 73 R HA -0.183 4.159 4.340 0.004 0.000 0.235 73 R C 2.406 178.743 176.300 0.062 0.000 1.127 73 R CA 1.189 57.333 56.100 0.073 0.000 0.968 73 R CB -0.271 30.062 30.300 0.056 0.000 0.861 73 R HN 0.112 nan 8.270 nan 0.000 0.440 74 R N 0.974 121.515 120.500 0.069 0.000 2.105 74 R HA -0.081 4.262 4.340 0.004 0.000 0.239 74 R C 1.870 178.194 176.300 0.041 0.000 1.135 74 R CA 1.913 58.046 56.100 0.054 0.000 0.967 74 R CB -0.663 29.674 30.300 0.062 0.000 0.861 74 R HN 0.245 nan 8.270 nan 0.000 0.442 75 A N -0.206 122.648 122.820 0.057 0.000 1.877 75 A HA -0.082 4.240 4.320 0.004 0.000 0.216 75 A C 2.355 179.925 177.584 -0.025 0.000 1.186 75 A CA 1.686 53.728 52.037 0.009 0.000 0.620 75 A CB -0.826 18.213 19.000 0.065 0.000 0.822 75 A HN 0.176 nan 8.150 nan 0.000 0.443 76 V N 0.934 120.857 119.914 0.016 0.000 2.250 76 V HA -0.340 3.782 4.120 0.004 0.000 0.250 76 V C 2.261 178.356 176.094 0.001 0.000 1.060 76 V CA 2.539 64.846 62.300 0.011 0.000 1.030 76 V CB -0.933 30.913 31.823 0.038 0.000 0.643 76 V HN 0.530 nan 8.190 nan 0.000 0.445 77 D N -0.186 120.220 120.400 0.010 0.000 2.123 77 D HA -0.150 4.492 4.640 0.004 0.000 0.196 77 D C 2.018 178.315 176.300 -0.005 0.000 0.992 77 D CA 1.505 55.509 54.000 0.007 0.000 0.833 77 D CB -0.280 40.529 40.800 0.014 0.000 0.954 77 D HN 0.449 nan 8.370 nan 0.000 0.455 78 I N 0.327 120.888 120.570 -0.016 0.000 2.315 78 I HA -0.223 3.949 4.170 0.004 0.000 0.248 78 I C 2.329 178.420 176.117 -0.044 0.000 1.117 78 I CA 0.569 61.852 61.300 -0.029 0.000 1.404 78 I CB -0.183 37.794 38.000 -0.039 0.000 1.071 78 I HN -0.026 nan 8.210 nan 0.000 0.419 79 L N 0.204 121.391 121.223 -0.059 0.000 2.046 79 L HA -0.193 4.150 4.340 0.004 0.000 0.208 79 L C 2.812 179.663 176.870 -0.032 0.000 1.077 79 L CA 1.164 55.966 54.840 -0.062 0.000 0.747 79 L CB -0.645 41.367 42.059 -0.079 0.000 0.896 79 L HN 0.191 nan 8.230 nan 0.000 0.432 80 R N 0.101 120.591 120.500 -0.015 0.000 2.081 80 R HA -0.186 4.156 4.340 0.004 0.000 0.235 80 R C 2.076 178.374 176.300 -0.004 0.000 1.131 80 R CA 1.344 57.442 56.100 -0.003 0.000 0.960 80 R CB -0.717 29.587 30.300 0.005 0.000 0.856 80 R HN 0.476 nan 8.270 nan 0.000 0.436 81 E N 0.724 120.920 120.200 -0.007 0.000 2.110 81 E HA -0.128 4.225 4.350 0.004 0.000 0.193 81 E C 1.425 178.020 176.600 -0.009 0.000 0.988 81 E CA 0.977 57.374 56.400 -0.005 0.000 0.804 81 E CB 0.160 29.857 29.700 -0.006 0.000 0.745 81 E HN 0.204 nan 8.360 nan 0.000 0.458 82 R N 0.280 120.768 120.500 -0.019 0.000 2.359 82 R HA 0.090 4.432 4.340 0.004 0.000 0.231 82 R C 1.770 178.057 176.300 -0.023 0.000 0.913 82 R CA -0.168 55.918 56.100 -0.024 0.000 1.075 82 R CB -0.096 30.181 30.300 -0.038 0.000 1.087 82 R HN 0.239 nan 8.270 nan 0.000 0.515 83 N N 2.074 120.764 118.700 -0.016 0.000 2.036 83 N HA -0.243 4.499 4.740 0.004 0.000 0.199 83 N C 0.626 176.133 175.510 -0.007 0.000 1.036 83 N CA 2.099 55.143 53.050 -0.010 0.000 0.870 83 N CB 0.082 38.569 38.487 0.001 0.000 1.055 83 N HN 0.129 nan 8.380 nan 0.000 0.436 84 D N 0.426 120.825 120.400 -0.002 0.000 2.144 84 D HA -0.143 4.499 4.640 0.004 0.000 0.200 84 D C 1.830 178.130 176.300 0.000 0.000 0.978 84 D CA 0.702 54.704 54.000 0.002 0.000 0.833 84 D CB -0.435 40.369 40.800 0.006 0.000 0.961 84 D HN 0.569 nan 8.370 nan 0.000 0.470 85 E N 0.580 120.777 120.200 -0.004 0.000 2.051 85 E HA -0.145 4.207 4.350 0.004 0.000 0.192 85 E C 2.224 178.815 176.600 -0.014 0.000 0.991 85 E CA 0.605 57.001 56.400 -0.006 0.000 0.799 85 E CB -0.140 29.554 29.700 -0.010 0.000 0.748 85 E HN 0.229 nan 8.360 nan 0.000 0.449 86 L N 0.561 121.769 121.223 -0.025 0.000 2.093 86 L HA -0.111 4.231 4.340 0.004 0.000 0.208 86 L C 2.742 179.597 176.870 -0.025 0.000 1.085 86 L CA 0.948 55.767 54.840 -0.035 0.000 0.755 86 L CB -0.419 41.611 42.059 -0.048 0.000 0.904 86 L HN 0.209 nan 8.230 nan 0.000 0.435 87 A N 0.149 122.958 122.820 -0.017 0.000 1.902 87 A HA -0.194 4.128 4.320 0.004 0.000 0.217 87 A C 2.551 180.128 177.584 -0.011 0.000 1.181 87 A CA 1.753 53.781 52.037 -0.016 0.000 0.623 87 A CB -0.737 18.258 19.000 -0.008 0.000 0.818 87 A HN 0.390 nan 8.150 nan 0.000 0.443 88 A N -0.656 122.164 122.820 0.001 0.000 1.908 88 A HA -0.068 4.255 4.320 0.004 0.000 0.218 88 A C 2.140 179.743 177.584 0.031 0.000 1.181 88 A CA 1.828 53.875 52.037 0.017 0.000 0.627 88 A CB -0.589 18.428 19.000 0.028 0.000 0.818 88 A HN 0.632 nan 8.150 nan 0.000 0.445 89 L N -0.298 120.939 121.223 0.023 0.000 2.027 89 L HA -0.085 4.257 4.340 0.004 0.000 0.206 89 L C 2.239 179.124 176.870 0.024 0.000 1.074 89 L CA 2.616 57.475 54.840 0.032 0.000 0.745 89 L CB -0.744 41.299 42.059 -0.027 0.000 0.898 89 L HN 0.483 nan 8.230 nan 0.000 0.433 90 E N -0.916 119.282 120.200 -0.005 0.000 2.049 90 E HA -0.227 4.126 4.350 0.004 0.000 0.198 90 E C 2.066 178.648 176.600 -0.029 0.000 1.007 90 E CA 2.180 58.569 56.400 -0.019 0.000 0.809 90 E CB -0.417 29.258 29.700 -0.042 0.000 0.749 90 E HN 0.492 nan 8.360 nan 0.000 0.450 91 T N 0.747 115.282 114.554 -0.033 0.000 2.699 91 T HA -0.177 4.175 4.350 0.004 0.000 0.268 91 T C 1.788 176.475 174.700 -0.021 0.000 1.036 91 T CA 1.447 63.522 62.100 -0.043 0.000 1.147 91 T CB -0.303 68.545 68.868 -0.033 0.000 0.862 91 T HN 0.129 nan 8.240 nan 0.000 0.446 92 L N 0.589 121.824 121.223 0.020 0.000 2.012 92 L HA -0.132 4.210 4.340 0.004 0.000 0.210 92 L C 2.559 179.451 176.870 0.038 0.000 1.073 92 L CA 1.396 56.263 54.840 0.046 0.000 0.748 92 L CB -0.463 41.666 42.059 0.117 0.000 0.891 92 L HN 0.177 nan 8.230 nan 0.000 0.431 93 D N -0.985 119.441 120.400 0.044 0.000 2.194 93 D HA -0.115 4.527 4.640 0.004 0.000 0.204 93 D C 2.064 178.366 176.300 0.004 0.000 0.964 93 D CA 1.584 55.612 54.000 0.047 0.000 0.846 93 D CB 0.272 41.113 40.800 0.069 0.000 0.962 93 D HN 0.363 nan 8.370 nan 0.000 0.490 94 T N -4.805 109.729 114.554 -0.033 0.000 2.990 94 T HA 0.339 4.692 4.350 0.004 0.000 0.249 94 T C 1.741 176.356 174.700 -0.141 0.000 1.039 94 T CA 0.827 62.882 62.100 -0.074 0.000 1.036 94 T CB 0.761 69.580 68.868 -0.081 0.000 0.994 94 T HN 0.104 nan 8.240 nan 0.000 0.489 95 G N 2.055 110.773 108.800 -0.137 0.000 2.199 95 G HA2 -0.257 3.705 3.960 0.004 0.000 0.254 95 G HA3 -0.257 3.705 3.960 0.004 0.000 0.254 95 G C 0.074 174.851 174.900 -0.206 0.000 0.982 95 G CA 0.131 45.120 45.100 -0.185 0.000 0.632 95 G HN 0.684 nan 8.290 nan 0.000 0.529 96 K N 1.525 121.800 120.400 -0.209 0.000 2.489 96 K HA 0.289 4.612 4.320 0.004 0.000 0.278 96 K C -2.352 174.134 176.600 -0.190 0.000 1.000 96 K CA -1.119 55.018 56.287 -0.249 0.000 1.012 96 K CB 0.442 32.767 32.500 -0.292 0.000 0.903 96 K HN 0.133 nan 8.250 nan 0.000 0.485 97 P HA -0.078 nan 4.420 nan 0.000 0.269 97 P C 0.730 177.971 177.300 -0.098 0.000 1.209 97 P CA -0.292 62.735 63.100 -0.121 0.000 0.776 97 P CB 0.441 32.068 31.700 -0.121 0.000 0.876 98 L N 4.160 125.352 121.223 -0.051 0.000 2.051 98 L HA -0.281 4.062 4.340 0.004 0.000 0.214 98 L C 2.220 179.078 176.870 -0.020 0.000 1.076 98 L CA 2.456 57.280 54.840 -0.028 0.000 0.758 98 L CB -1.759 40.296 42.059 -0.007 0.000 0.890 98 L HN 0.475 nan 8.230 nan 0.000 0.433 99 A N -1.359 121.451 122.820 -0.018 0.000 1.986 99 A HA -0.245 4.077 4.320 0.004 0.000 0.220 99 A C 2.141 179.732 177.584 0.011 0.000 1.171 99 A CA 2.039 54.078 52.037 0.003 0.000 0.640 99 A CB -0.452 18.553 19.000 0.010 0.000 0.811 99 A HN 0.665 nan 8.150 nan 0.000 0.451 100 E N -1.054 119.115 120.200 -0.053 0.000 2.057 100 E HA -0.089 4.264 4.350 0.004 0.000 0.190 100 E C 2.297 178.900 176.600 0.004 0.000 0.969 100 E CA 1.245 57.622 56.400 -0.039 0.000 0.812 100 E CB -0.391 29.134 29.700 -0.291 0.000 0.777 100 E HN 0.789 nan 8.360 nan 0.000 0.455 101 T N 0.048 114.572 114.554 -0.051 0.000 2.833 101 T HA -0.115 4.237 4.350 0.004 0.000 0.269 101 T C 1.892 176.596 174.700 0.007 0.000 1.054 101 T CA 0.761 62.841 62.100 -0.032 0.000 1.135 101 T CB -0.186 68.647 68.868 -0.058 0.000 0.869 101 T HN -0.015 nan 8.240 nan 0.000 0.466 102 R N 0.674 121.182 120.500 0.013 0.000 2.189 102 R HA 0.150 4.492 4.340 0.004 0.000 0.218 102 R C 2.270 178.595 176.300 0.042 0.000 1.074 102 R CA 1.207 57.321 56.100 0.023 0.000 0.991 102 R CB -0.124 30.188 30.300 0.020 0.000 0.883 102 R HN 0.403 nan 8.270 nan 0.000 0.457 103 S N -0.794 114.945 115.700 0.065 0.000 2.506 103 S HA 0.096 4.568 4.470 0.004 0.000 0.219 103 S C 1.556 176.222 174.600 0.110 0.000 1.031 103 S CA -0.071 58.180 58.200 0.085 0.000 0.911 103 S CB 0.897 64.161 63.200 0.106 0.000 0.812 103 S HN 0.004 nan 8.310 nan 0.000 0.497 104 V N 1.070 121.066 119.914 0.135 0.000 3.001 104 V HA 0.088 4.210 4.120 0.004 0.000 0.228 104 V C 1.352 177.535 176.094 0.149 0.000 1.204 104 V CA 0.711 63.118 62.300 0.179 0.000 1.247 104 V CB -0.585 31.430 31.823 0.320 0.000 1.093 104 V HN 0.180 nan 8.190 nan 0.000 0.504 105 D N 1.026 121.503 120.400 0.129 0.000 2.087 105 D HA -0.169 4.473 4.640 0.004 0.000 0.192 105 D C 1.846 178.173 176.300 0.044 0.000 0.993 105 D CA 1.724 55.781 54.000 0.095 0.000 0.828 105 D CB -0.193 40.621 40.800 0.023 0.000 0.968 105 D HN 0.345 nan 8.370 nan 0.000 0.448 106 I N 0.042 120.628 120.570 0.028 0.000 2.353 106 I HA -0.151 4.021 4.170 0.004 0.000 0.248 106 I C 2.297 178.439 176.117 0.041 0.000 1.119 106 I CA 0.489 61.796 61.300 0.013 0.000 1.417 106 I CB -0.390 37.604 38.000 -0.009 0.000 1.078 106 I HN -0.084 nan 8.210 nan 0.000 0.421 107 V N 0.762 120.710 119.914 0.057 0.000 2.231 107 V HA -0.351 3.772 4.120 0.004 0.000 0.248 107 V C 2.684 178.838 176.094 0.100 0.000 1.054 107 V CA 2.713 65.054 62.300 0.068 0.000 1.015 107 V CB -1.434 30.431 31.823 0.069 0.000 0.638 107 V HN 0.670 nan 8.190 nan 0.000 0.444 108 T N -2.129 112.507 114.554 0.136 0.000 2.985 108 T HA 0.036 4.388 4.350 0.004 0.000 0.266 108 T C 1.902 176.834 174.700 0.386 0.000 1.076 108 T CA 1.189 63.429 62.100 0.233 0.000 1.135 108 T CB -0.336 68.692 68.868 0.268 0.000 0.890 108 T HN 0.468 nan 8.240 nan 0.000 0.480 109 G N 1.479 110.417 108.800 0.231 0.000 2.433 109 G HA2 0.067 4.029 3.960 0.004 0.000 0.216 109 G HA3 0.067 4.029 3.960 0.004 0.000 0.216 109 G C 1.932 176.975 174.900 0.240 0.000 1.186 109 G CA 0.741 45.992 45.100 0.252 0.000 0.779 109 G HN 0.707 nan 8.290 nan 0.000 0.543 110 A N 0.963 123.856 122.820 0.123 0.000 1.972 110 A HA -0.045 4.277 4.320 0.004 0.000 0.219 110 A C 2.064 179.708 177.584 0.099 0.000 1.169 110 A CA 2.080 54.166 52.037 0.082 0.000 0.635 110 A CB -0.416 18.605 19.000 0.035 0.000 0.810 110 A HN 0.284 nan 8.150 nan 0.000 0.446 111 D N -0.195 120.271 120.400 0.111 0.000 2.133 111 D HA -0.129 4.514 4.640 0.004 0.000 0.195 111 D C 2.012 178.341 176.300 0.049 0.000 0.997 111 D CA 1.548 55.592 54.000 0.073 0.000 0.840 111 D CB -0.367 40.468 40.800 0.060 0.000 0.947 111 D HN 0.247 nan 8.370 nan 0.000 0.452 112 V N 0.834 120.791 119.914 0.072 0.000 2.379 112 V HA -0.174 3.949 4.120 0.004 0.000 0.245 112 V C 2.420 178.592 176.094 0.129 0.000 1.044 112 V CA 0.876 63.170 62.300 -0.010 0.000 1.036 112 V CB -0.383 31.354 31.823 -0.144 0.000 0.664 112 V HN 0.131 nan 8.190 nan 0.000 0.453 113 L N 0.467 121.800 121.223 0.185 0.000 2.042 113 L HA -0.189 4.153 4.340 0.004 0.000 0.210 113 L C 2.370 179.335 176.870 0.159 0.000 1.076 113 L CA 2.303 57.265 54.840 0.204 0.000 0.749 113 L CB -0.683 41.472 42.059 0.160 0.000 0.893 113 L HN 0.447 nan 8.230 nan 0.000 0.432 114 E N -1.778 118.490 120.200 0.113 0.000 2.072 114 E HA -0.297 4.056 4.350 0.004 0.000 0.191 114 E C 2.182 178.829 176.600 0.077 0.000 0.985 114 E CA 1.313 57.764 56.400 0.086 0.000 0.801 114 E CB -0.396 29.345 29.700 0.069 0.000 0.750 114 E HN 0.613 nan 8.360 nan 0.000 0.452 115 Y N 0.302 120.541 120.300 -0.101 0.000 2.053 115 Y HA -0.340 4.213 4.550 0.004 0.000 0.277 115 Y C 1.899 177.684 175.900 -0.191 0.000 1.159 115 Y CA 2.274 60.245 58.100 -0.214 0.000 1.125 115 Y CB -0.699 37.529 38.460 -0.387 0.000 0.969 115 Y HN 0.150 nan 8.280 nan 0.000 0.492 116 Y N -0.238 120.041 120.300 -0.034 0.000 2.293 116 Y HA -0.114 4.438 4.550 0.004 0.000 0.291 116 Y C 2.642 178.497 175.900 -0.076 0.000 1.137 116 Y CA 0.861 58.893 58.100 -0.114 0.000 1.202 116 Y CB -1.322 37.130 38.460 -0.014 0.000 0.990 116 Y HN 0.272 nan 8.280 nan 0.000 0.537 117 A N 0.234 123.125 122.820 0.118 0.000 1.883 117 A HA -0.155 4.167 4.320 0.004 0.000 0.217 117 A C 2.650 180.244 177.584 0.018 0.000 1.186 117 A CA 1.862 53.948 52.037 0.082 0.000 0.624 117 A CB -1.504 17.550 19.000 0.091 0.000 0.822 117 A HN 0.454 nan 8.150 nan 0.000 0.444 118 G N -0.684 108.102 108.800 -0.023 0.000 2.479 118 G HA2 -0.108 3.854 3.960 0.004 0.000 0.220 118 G HA3 -0.108 3.854 3.960 0.004 0.000 0.220 118 G C 1.354 176.205 174.900 -0.080 0.000 1.115 118 G CA 1.057 46.124 45.100 -0.055 0.000 0.757 118 G HN 0.462 nan 8.290 nan 0.000 0.560 119 L N 0.246 121.409 121.223 -0.099 0.000 2.554 119 L HA 0.107 4.450 4.340 0.004 0.000 0.225 119 L C 2.607 179.451 176.870 -0.044 0.000 1.104 119 L CA -0.269 54.511 54.840 -0.100 0.000 0.866 119 L CB 0.150 42.113 42.059 -0.159 0.000 1.047 119 L HN 0.019 nan 8.230 nan 0.000 0.468 120 V N 1.086 120.982 119.914 -0.029 0.000 2.250 120 V HA -0.231 3.891 4.120 0.004 0.000 0.250 120 V C -0.239 175.821 176.094 -0.057 0.000 1.060 120 V CA 2.169 64.442 62.300 -0.045 0.000 1.030 120 V CB -1.703 30.082 31.823 -0.064 0.000 0.643 120 V HN 0.390 nan 8.190 nan 0.000 0.445 121 P HA 0.005 nan 4.420 nan 0.000 0.230 121 P C 1.012 178.287 177.300 -0.042 0.000 1.158 121 P CA 1.377 64.446 63.100 -0.051 0.000 0.769 121 P CB -0.088 31.584 31.700 -0.047 0.000 0.807 122 A N -0.891 121.905 122.820 -0.040 0.000 2.275 122 A HA 0.135 4.458 4.320 0.004 0.000 0.212 122 A C 0.884 178.454 177.584 -0.024 0.000 1.201 122 A CA -0.162 51.855 52.037 -0.033 0.000 0.843 122 A CB -0.758 18.219 19.000 -0.039 0.000 0.873 122 A HN 0.110 nan 8.150 nan 0.000 0.492 123 I N 1.332 121.886 120.570 -0.025 0.000 2.505 123 I HA 0.174 4.346 4.170 0.004 0.000 0.287 123 I C -0.079 176.029 176.117 -0.015 0.000 1.104 123 I CA 0.484 61.773 61.300 -0.018 0.000 1.387 123 I CB 0.279 38.266 38.000 -0.021 0.000 1.404 123 I HN 0.270 nan 8.210 nan 0.000 0.528 124 E N 3.715 123.911 120.200 -0.007 0.000 2.356 124 E HA 0.521 4.873 4.350 0.004 0.000 0.275 124 E C -0.168 176.439 176.600 0.013 0.000 0.904 124 E CA -0.781 55.620 56.400 0.001 0.000 0.757 124 E CB 2.279 31.977 29.700 -0.002 0.000 1.232 124 E HN 0.672 nan 8.360 nan 0.000 0.442 125 G N 0.976 109.796 108.800 0.033 0.000 2.510 125 G HA2 0.386 4.349 3.960 0.004 0.000 0.280 125 G HA3 0.386 4.349 3.960 0.004 0.000 0.280 125 G C -0.471 174.462 174.900 0.056 0.000 1.386 125 G CA -0.246 44.886 45.100 0.053 0.000 1.047 125 G HN 0.434 nan 8.290 nan 0.000 0.527 126 E N -1.288 118.957 120.200 0.076 0.000 2.281 126 E HA 0.504 4.856 4.350 0.004 0.000 0.262 126 E C -0.767 175.910 176.600 0.127 0.000 0.933 126 E CA -0.599 55.846 56.400 0.074 0.000 0.809 126 E CB 1.999 31.730 29.700 0.053 0.000 1.242 126 E HN 0.484 nan 8.360 nan 0.000 0.418 127 Q N 1.176 121.044 119.800 0.113 0.000 2.305 127 Q HA 0.541 4.883 4.340 0.004 0.000 0.271 127 Q C -1.893 174.183 176.000 0.127 0.000 1.046 127 Q CA -0.417 55.488 55.803 0.170 0.000 0.798 127 Q CB 1.123 29.954 28.738 0.154 0.000 1.286 127 Q HN 0.515 nan 8.270 nan 0.000 0.435 128 I N 4.761 125.431 120.570 0.166 0.000 2.468 128 I HA 0.455 4.628 4.170 0.004 0.000 0.284 128 I C -2.328 173.884 176.117 0.158 0.000 1.038 128 I CA -2.148 59.223 61.300 0.118 0.000 1.083 128 I CB 2.120 40.170 38.000 0.085 0.000 1.223 128 I HN 0.586 nan 8.210 nan 0.000 0.443 129 P HA 0.229 nan 4.420 nan 0.000 0.275 129 P C 0.147 177.511 177.300 0.107 0.000 1.227 129 P CA -0.163 63.016 63.100 0.131 0.000 0.781 129 P CB 1.471 33.205 31.700 0.057 0.000 0.906 130 L N 1.984 123.280 121.223 0.121 0.000 2.388 130 L HA 0.286 4.628 4.340 0.004 0.000 0.209 130 L C 1.285 178.190 176.870 0.058 0.000 1.061 130 L CA 0.491 55.376 54.840 0.074 0.000 0.834 130 L CB -0.253 41.843 42.059 0.061 0.000 1.029 130 L HN 0.513 nan 8.230 nan 0.000 0.473 131 R N -1.561 118.982 120.500 0.072 0.000 2.789 131 R HA 0.104 4.446 4.340 0.004 0.000 0.279 131 R C 0.193 176.533 176.300 0.067 0.000 1.010 131 R CA -0.737 55.394 56.100 0.053 0.000 0.855 131 R CB 0.676 30.999 30.300 0.038 0.000 1.312 131 R HN -0.256 nan 8.270 nan 0.000 0.479 132 E N 0.713 120.943 120.200 0.049 0.000 2.160 132 E HA -0.133 4.220 4.350 0.004 0.000 0.195 132 E C 0.825 177.470 176.600 0.075 0.000 0.991 132 E CA 2.352 58.782 56.400 0.050 0.000 0.810 132 E CB 0.100 29.819 29.700 0.031 0.000 0.742 132 E HN 0.688 nan 8.360 nan 0.000 0.466 133 T N -2.392 112.206 114.554 0.074 0.000 3.086 133 T HA 0.225 4.577 4.350 0.004 0.000 0.250 133 T C 0.561 175.322 174.700 0.102 0.000 1.074 133 T CA -0.097 62.051 62.100 0.080 0.000 0.988 133 T CB 0.378 69.278 68.868 0.054 0.000 0.988 133 T HN -0.008 nan 8.240 nan 0.000 0.530 134 S N 0.433 116.214 115.700 0.134 0.000 2.542 134 S HA 0.637 5.109 4.470 0.004 0.000 0.276 134 S C -1.740 172.997 174.600 0.228 0.000 1.148 134 S CA -1.129 57.148 58.200 0.128 0.000 0.886 134 S CB 0.820 64.049 63.200 0.049 0.000 1.109 134 S HN 0.494 nan 8.310 nan 0.000 0.458 135 F N 2.242 122.220 119.950 0.045 0.000 2.629 135 F HA 0.895 5.423 4.527 0.001 0.000 0.316 135 F C -0.720 175.115 175.800 0.059 0.000 1.081 135 F CA -1.203 56.829 58.000 0.053 0.000 0.954 135 F CB 1.156 40.195 39.000 0.065 0.000 1.337 135 F HN 0.452 nan 8.300 nan 0.000 0.474 136 V N 2.310 122.318 119.914 0.157 0.000 2.581 136 V HA 0.755 4.877 4.120 0.004 0.000 0.303 136 V C -1.604 174.646 176.094 0.261 0.000 1.041 136 V CA -0.730 61.590 62.300 0.032 0.000 0.907 136 V CB 1.514 33.312 31.823 -0.042 0.000 0.994 136 V HN 1.046 nan 8.190 nan 0.000 0.442 137 Y N 2.173 122.514 120.300 0.068 0.000 2.524 137 Y HA 0.900 5.451 4.550 0.002 0.000 0.344 137 Y C -0.040 175.880 175.900 0.032 0.000 1.012 137 Y CA -0.366 57.793 58.100 0.097 0.000 1.068 137 Y CB 1.679 40.233 38.460 0.157 0.000 1.249 137 Y HN 0.879 nan 8.280 nan 0.000 0.468 138 T N 0.492 115.127 114.554 0.134 0.000 2.888 138 T HA 0.701 5.054 4.350 0.004 0.000 0.284 138 T C -0.693 174.082 174.700 0.125 0.000 1.017 138 T CA -1.050 61.074 62.100 0.040 0.000 1.022 138 T CB 1.578 70.461 68.868 0.024 0.000 1.013 138 T HN 0.847 nan 8.240 nan 0.000 0.465 139 R N 0.895 121.434 120.500 0.065 0.000 2.589 139 R HA 0.508 4.850 4.340 0.004 0.000 0.293 139 R C -0.063 176.255 176.300 0.030 0.000 0.963 139 R CA -0.894 55.252 56.100 0.077 0.000 0.905 139 R CB 1.632 31.982 30.300 0.082 0.000 1.144 139 R HN 0.514 nan 8.270 nan 0.000 0.459 140 R N 2.442 122.957 120.500 0.025 0.000 2.280 140 R HA 0.153 4.495 4.340 0.004 0.000 0.326 140 R C -0.574 175.732 176.300 0.009 0.000 1.080 140 R CA -0.213 55.891 56.100 0.006 0.000 1.002 140 R CB 0.925 31.224 30.300 -0.002 0.000 1.136 140 R HN 0.562 nan 8.270 nan 0.000 0.509 141 E N 3.066 123.273 120.200 0.012 0.000 2.227 141 E HA 0.306 4.658 4.350 0.004 0.000 0.268 141 E C -2.326 174.290 176.600 0.027 0.000 0.990 141 E CA -2.219 54.191 56.400 0.017 0.000 0.856 141 E CB 1.195 30.905 29.700 0.017 0.000 1.159 141 E HN 0.183 nan 8.360 nan 0.000 0.401 142 P HA -0.036 nan 4.420 nan 0.000 0.268 142 P C 0.303 177.642 177.300 0.065 0.000 1.208 142 P CA 0.237 63.373 63.100 0.060 0.000 0.777 142 P CB 0.543 32.284 31.700 0.069 0.000 0.875 143 L N 0.847 122.123 121.223 0.088 0.000 2.141 143 L HA -0.009 4.334 4.340 0.004 0.000 0.209 143 L C 1.703 178.622 176.870 0.081 0.000 1.094 143 L CA 1.864 56.753 54.840 0.082 0.000 0.763 143 L CB -0.901 41.219 42.059 0.102 0.000 0.908 143 L HN 0.804 nan 8.230 nan 0.000 0.437 144 G N -1.079 107.777 108.800 0.094 0.000 2.893 144 G HA2 -0.222 3.740 3.960 0.004 0.000 0.222 144 G HA3 -0.222 3.740 3.960 0.004 0.000 0.222 144 G C -0.449 174.507 174.900 0.095 0.000 1.345 144 G CA -0.327 44.825 45.100 0.086 0.000 1.129 144 G HN -0.120 nan 8.290 nan 0.000 0.560 145 V N 2.279 122.241 119.914 0.080 0.000 2.432 145 V HA 0.594 4.716 4.120 0.004 0.000 0.275 145 V C 1.035 177.185 176.094 0.095 0.000 1.043 145 V CA 0.166 62.509 62.300 0.072 0.000 0.925 145 V CB 0.644 32.489 31.823 0.037 0.000 0.985 145 V HN 1.576 nan 8.190 nan 0.000 0.466 146 V N 2.198 122.183 119.914 0.119 0.000 3.113 146 V HA 1.073 5.195 4.120 0.004 0.000 0.316 146 V C -0.141 176.037 176.094 0.141 0.000 1.125 146 V CA -0.819 61.574 62.300 0.156 0.000 1.026 146 V CB 2.027 34.007 31.823 0.261 0.000 1.080 146 V HN 1.090 nan 8.190 nan 0.000 0.444 147 A N 0.770 123.682 122.820 0.154 0.000 2.371 147 A HA 0.965 5.287 4.320 0.004 0.000 0.311 147 A C -0.049 177.645 177.584 0.184 0.000 1.068 147 A CA -0.150 51.970 52.037 0.137 0.000 0.744 147 A CB 1.456 20.510 19.000 0.089 0.000 1.239 147 A HN 1.964 nan 8.150 nan 0.000 0.435 148 G N 0.577 109.496 108.800 0.198 0.000 2.452 148 G HA2 0.612 4.575 3.960 0.004 0.000 0.324 148 G HA3 0.612 4.575 3.960 0.004 0.000 0.324 148 G C -0.900 173.912 174.900 -0.146 0.000 1.214 148 G CA -0.503 44.717 45.100 0.201 0.000 0.947 148 G HN 0.657 nan 8.290 nan 0.000 0.478 149 I N 1.760 122.246 120.570 -0.141 0.000 2.418 149 I HA 0.415 4.588 4.170 0.004 0.000 0.287 149 I C 0.793 176.681 176.117 -0.382 0.000 1.008 149 I CA -0.751 60.373 61.300 -0.294 0.000 1.104 149 I CB 2.040 40.071 38.000 0.052 0.000 1.264 149 I HN 0.569 nan 8.210 nan 0.000 0.438 150 G N 3.921 112.411 108.800 -0.516 0.000 2.477 150 G HA2 0.732 4.694 3.960 0.004 0.000 0.304 150 G HA3 0.732 4.694 3.960 0.004 0.000 0.304 150 G C -0.522 174.274 174.900 -0.172 0.000 1.175 150 G CA -0.336 44.668 45.100 -0.160 0.000 0.907 150 G HN 0.715 nan 8.290 nan 0.000 0.509 151 A N 0.046 122.791 122.820 -0.124 0.000 2.282 151 A HA 0.673 4.995 4.320 0.004 0.000 0.324 151 A C 0.694 178.248 177.584 -0.051 0.000 1.119 151 A CA -0.714 51.192 52.037 -0.219 0.000 0.880 151 A CB 0.707 19.463 19.000 -0.408 0.000 1.294 151 A HN 1.082 nan 8.150 nan 0.000 0.493 152 W N 0.553 121.873 121.300 0.034 0.000 3.197 152 W HA 0.018 4.680 4.660 0.004 0.000 0.274 152 W C 0.811 177.346 176.519 0.026 0.000 1.297 152 W CA 0.654 58.018 57.345 0.032 0.000 1.662 152 W CB -0.439 29.026 29.460 0.009 0.000 1.106 152 W HN 0.843 nan 8.180 nan 0.000 0.663 153 N N 1.488 120.141 118.700 -0.079 0.000 2.216 153 N HA -0.196 4.547 4.740 0.004 0.000 0.183 153 N C -0.287 175.200 175.510 -0.039 0.000 1.017 153 N CA 0.944 54.033 53.050 0.065 0.000 0.861 153 N CB -1.138 37.332 38.487 -0.028 0.000 0.986 153 N HN 0.227 nan 8.380 nan 0.000 0.428 154 Y N -0.106 120.166 120.300 -0.045 0.000 2.662 154 Y HA 0.410 4.962 4.550 0.004 0.000 0.358 154 Y C -1.822 174.040 175.900 -0.063 0.000 1.041 154 Y CA -1.952 56.101 58.100 -0.079 0.000 1.184 154 Y CB 2.148 40.502 38.460 -0.176 0.000 1.114 154 Y HN 0.001 nan 8.280 nan 0.000 0.650 155 P HA -0.206 nan 4.420 nan 0.000 0.213 155 P C 1.880 179.220 177.300 0.066 0.000 1.170 155 P CA 1.128 64.292 63.100 0.107 0.000 0.893 155 P CB 0.498 32.266 31.700 0.113 0.000 0.784 156 V N -0.324 119.592 119.914 0.004 0.000 2.427 156 V HA -0.243 3.880 4.120 0.004 0.000 0.248 156 V C 2.542 178.578 176.094 -0.096 0.000 1.051 156 V CA 1.820 64.085 62.300 -0.058 0.000 1.048 156 V CB -1.025 30.756 31.823 -0.069 0.000 0.666 156 V HN 0.107 nan 8.190 nan 0.000 0.456 157 Q N -0.276 119.466 119.800 -0.096 0.000 2.061 157 Q HA -0.242 4.101 4.340 0.004 0.000 0.204 157 Q C 2.198 177.989 176.000 -0.347 0.000 0.984 157 Q CA 2.778 58.426 55.803 -0.257 0.000 0.846 157 Q CB -0.278 28.269 28.738 -0.318 0.000 0.902 157 Q HN 0.725 nan 8.270 nan 0.000 0.421 158 I N 0.695 121.153 120.570 -0.186 0.000 2.208 158 I HA -0.301 3.871 4.170 0.004 0.000 0.245 158 I C 2.494 178.654 176.117 0.071 0.000 1.097 158 I CA 1.064 62.362 61.300 -0.004 0.000 1.363 158 I CB -0.488 37.572 38.000 0.099 0.000 1.051 158 I HN 0.234 nan 8.210 nan 0.000 0.413 159 A N 0.907 123.649 122.820 -0.128 0.000 1.902 159 A HA -0.166 4.156 4.320 0.004 0.000 0.217 159 A C 2.298 179.727 177.584 -0.257 0.000 1.181 159 A CA 1.529 53.222 52.037 -0.573 0.000 0.623 159 A CB -0.829 17.751 19.000 -0.699 0.000 0.818 159 A HN 0.379 nan 8.150 nan 0.000 0.443 160 L N -2.527 118.635 121.223 -0.102 0.000 2.056 160 L HA -0.179 4.163 4.340 0.004 0.000 0.207 160 L C 2.568 179.604 176.870 0.277 0.000 1.078 160 L CA 0.973 55.843 54.840 0.051 0.000 0.749 160 L CB -0.436 41.669 42.059 0.076 0.000 0.901 160 L HN 0.551 nan 8.230 nan 0.000 0.433 161 W N 0.676 122.003 121.300 0.044 0.000 2.402 161 W HA -0.111 4.552 4.660 0.004 0.000 0.286 161 W C 2.514 179.107 176.519 0.124 0.000 1.221 161 W CA 0.755 58.166 57.345 0.109 0.000 1.257 161 W CB -0.400 29.120 29.460 0.099 0.000 1.120 161 W HN 0.062 nan 8.180 nan 0.000 0.551 162 K N -0.173 120.426 120.400 0.332 0.000 2.098 162 K HA -0.063 4.260 4.320 0.004 0.000 0.203 162 K C 2.213 178.872 176.600 0.098 0.000 1.051 162 K CA 1.634 58.083 56.287 0.270 0.000 0.957 162 K CB -0.439 32.294 32.500 0.389 0.000 0.738 162 K HN 0.010 nan 8.250 nan 0.000 0.447 163 S N 0.951 116.699 115.700 0.080 0.000 2.436 163 S HA 0.010 4.482 4.470 0.004 0.000 0.228 163 S C 2.247 176.780 174.600 -0.113 0.000 1.014 163 S CA 0.638 58.831 58.200 -0.011 0.000 0.950 163 S CB -0.105 63.050 63.200 -0.074 0.000 0.784 163 S HN 0.252 nan 8.310 nan 0.000 0.504 164 A N 3.533 126.349 122.820 -0.006 0.000 1.858 164 A HA 0.040 4.362 4.320 0.004 0.000 0.216 164 A C 0.412 177.893 177.584 -0.172 0.000 1.190 164 A CA 1.590 53.654 52.037 0.046 0.000 0.617 164 A CB -1.709 17.456 19.000 0.274 0.000 0.827 164 A HN 0.595 nan 8.150 nan 0.000 0.443 165 P HA -0.013 nan 4.420 nan 0.000 0.222 165 P C 1.544 178.404 177.300 -0.734 0.000 1.153 165 P CA 1.658 64.252 63.100 -0.843 0.000 0.798 165 P CB -0.119 31.033 31.700 -0.913 0.000 0.796 166 A N 0.157 122.422 122.820 -0.924 0.000 1.858 166 A HA -0.158 4.164 4.320 0.004 0.000 0.216 166 A C 2.176 179.622 177.584 -0.230 0.000 1.190 166 A CA 1.617 53.193 52.037 -0.769 0.000 0.617 166 A CB -1.596 17.078 19.000 -0.544 0.000 0.827 166 A HN 0.088 nan 8.150 nan 0.000 0.443 167 L N -0.538 120.594 121.223 -0.152 0.000 2.109 167 L HA -0.003 4.339 4.340 0.004 0.000 0.207 167 L C 2.947 179.987 176.870 0.282 0.000 1.086 167 L CA 1.660 56.545 54.840 0.075 0.000 0.760 167 L CB -0.846 41.095 42.059 -0.196 0.000 0.910 167 L HN 0.385 nan 8.230 nan 0.000 0.437 168 A N -0.546 122.315 122.820 0.069 0.000 1.972 168 A HA -0.112 4.210 4.320 0.004 0.000 0.219 168 A C 2.268 179.846 177.584 -0.011 0.000 1.169 168 A CA 1.541 53.605 52.037 0.046 0.000 0.635 168 A CB -0.769 18.228 19.000 -0.004 0.000 0.810 168 A HN 0.347 nan 8.150 nan 0.000 0.446 169 A N -1.664 121.137 122.820 -0.032 0.000 2.252 169 A HA 0.408 4.730 4.320 0.004 0.000 0.207 169 A C 1.701 179.298 177.584 0.022 0.000 1.194 169 A CA 1.140 53.173 52.037 -0.007 0.000 0.809 169 A CB -1.094 17.925 19.000 0.032 0.000 0.814 169 A HN 1.909 nan 8.150 nan 0.000 0.482 170 G N -0.618 108.217 108.800 0.058 0.000 2.136 170 G HA2 -0.228 3.734 3.960 0.004 0.000 0.242 170 G HA3 -0.228 3.734 3.960 0.004 0.000 0.242 170 G C -0.113 174.934 174.900 0.245 0.000 0.989 170 G CA 0.139 45.267 45.100 0.046 0.000 0.682 170 G HN 0.555 nan 8.290 nan 0.000 0.522 171 N N 0.188 119.040 118.700 0.252 0.000 2.482 171 N HA 0.679 5.421 4.740 0.004 0.000 0.279 171 N C 0.240 175.846 175.510 0.160 0.000 1.182 171 N CA 0.257 53.425 53.050 0.196 0.000 0.969 171 N CB 1.597 40.175 38.487 0.152 0.000 1.201 171 N HN 0.580 nan 8.380 nan 0.000 0.523 172 A N 0.614 123.492 122.820 0.097 0.000 2.306 172 A HA 0.568 4.891 4.320 0.004 0.000 0.314 172 A C -0.284 177.329 177.584 0.049 0.000 1.164 172 A CA -0.514 51.535 52.037 0.021 0.000 0.822 172 A CB 0.604 19.613 19.000 0.016 0.000 1.130 172 A HN 0.722 nan 8.150 nan 0.000 0.496 173 M N 2.964 122.595 119.600 0.053 0.000 2.321 173 M HA 0.613 5.095 4.480 0.004 0.000 0.315 173 M C -1.776 174.525 176.300 0.002 0.000 1.052 173 M CA -0.550 54.811 55.300 0.102 0.000 0.936 173 M CB 1.021 33.756 32.600 0.225 0.000 1.639 173 M HN 0.582 nan 8.290 nan 0.000 0.433 174 I N 4.997 125.572 120.570 0.008 0.000 2.304 174 I HA 0.311 4.484 4.170 0.004 0.000 0.291 174 I C -1.181 174.943 176.117 0.012 0.000 1.018 174 I CA -0.324 60.944 61.300 -0.054 0.000 1.260 174 I CB 0.939 38.919 38.000 -0.033 0.000 1.390 174 I HN 0.580 nan 8.210 nan 0.000 0.475 175 F N 7.366 127.169 119.950 -0.246 0.000 2.436 175 F HA 0.428 4.957 4.527 0.004 0.000 0.340 175 F C -0.007 175.764 175.800 -0.048 0.000 1.113 175 F CA -0.615 57.320 58.000 -0.109 0.000 1.022 175 F CB 1.046 39.989 39.000 -0.095 0.000 1.128 175 F HN 0.291 nan 8.300 nan 0.000 0.466 176 K N 8.848 128.897 120.400 -0.586 0.000 2.404 176 K HA 0.396 4.719 4.320 0.004 0.000 0.257 176 K C -2.773 173.476 176.600 -0.585 0.000 1.026 176 K CA -2.185 53.869 56.287 -0.388 0.000 0.951 176 K CB 1.051 33.427 32.500 -0.207 0.000 1.203 176 K HN 0.315 nan 8.250 nan 0.000 0.446 177 P HA -0.033 nan 4.420 nan 0.000 0.272 177 P C -0.274 177.035 177.300 0.015 0.000 1.230 177 P CA -0.311 62.805 63.100 0.027 0.000 0.788 177 P CB 0.930 32.812 31.700 0.304 0.000 0.949 178 S N 0.286 116.030 115.700 0.074 0.000 2.558 178 S HA -0.052 4.420 4.470 0.004 0.000 0.288 178 S C 1.379 176.044 174.600 0.109 0.000 1.318 178 S CA -0.055 58.203 58.200 0.097 0.000 1.056 178 S CB -0.400 62.934 63.200 0.223 0.000 0.853 178 S HN 0.386 nan 8.310 nan 0.000 0.505 179 E N 2.326 122.523 120.200 -0.004 0.000 2.267 179 E HA -0.117 4.235 4.350 0.004 0.000 0.197 179 E C 1.626 178.293 176.600 0.112 0.000 0.998 179 E CA 1.127 57.455 56.400 -0.121 0.000 0.830 179 E CB -0.014 29.396 29.700 -0.484 0.000 0.751 179 E HN 0.628 nan 8.360 nan 0.000 0.491 180 V N 0.235 120.212 119.914 0.105 0.000 2.591 180 V HA -0.093 4.030 4.120 0.004 0.000 0.249 180 V C 1.347 177.523 176.094 0.137 0.000 1.053 180 V CA 1.663 64.010 62.300 0.077 0.000 1.068 180 V CB 0.083 31.860 31.823 -0.076 0.000 0.689 180 V HN 0.285 nan 8.190 nan 0.000 0.462 181 T N -2.297 112.373 114.554 0.192 0.000 3.418 181 T HA 0.334 4.686 4.350 0.004 0.000 0.315 181 T C -1.954 172.869 174.700 0.205 0.000 1.447 181 T CA -1.073 61.138 62.100 0.185 0.000 1.641 181 T CB 1.531 70.515 68.868 0.193 0.000 0.904 181 T HN 0.235 nan 8.240 nan 0.000 0.640 182 P HA 0.277 nan 4.420 nan 0.000 0.257 182 P C 1.367 178.769 177.300 0.171 0.000 1.241 182 P CA -0.194 63.044 63.100 0.230 0.000 0.816 182 P CB 0.386 32.261 31.700 0.291 0.000 1.150 183 L N 0.229 121.525 121.223 0.121 0.000 2.068 183 L HA -0.062 4.281 4.340 0.004 0.000 0.204 183 L C 2.596 179.489 176.870 0.038 0.000 1.076 183 L CA 2.268 57.144 54.840 0.059 0.000 0.753 183 L CB -1.722 40.351 42.059 0.023 0.000 0.910 183 L HN 0.055 nan 8.230 nan 0.000 0.439 184 T N -2.446 112.132 114.554 0.041 0.000 2.951 184 T HA -0.001 4.352 4.350 0.004 0.000 0.268 184 T C 1.943 176.649 174.700 0.010 0.000 1.073 184 T CA 0.738 62.840 62.100 0.004 0.000 1.134 184 T CB -0.226 68.636 68.868 -0.010 0.000 0.884 184 T HN 0.274 nan 8.240 nan 0.000 0.479 185 A N 1.942 124.812 122.820 0.084 0.000 1.902 185 A HA 0.117 4.440 4.320 0.004 0.000 0.217 185 A C 2.377 180.029 177.584 0.113 0.000 1.181 185 A CA 1.314 53.427 52.037 0.127 0.000 0.623 185 A CB -0.923 18.276 19.000 0.333 0.000 0.818 185 A HN 0.540 nan 8.150 nan 0.000 0.443 186 L N -0.687 120.596 121.223 0.099 0.000 2.046 186 L HA -0.188 4.154 4.340 0.004 0.000 0.208 186 L C 2.459 179.304 176.870 -0.042 0.000 1.077 186 L CA 1.274 56.148 54.840 0.056 0.000 0.747 186 L CB -0.436 41.750 42.059 0.213 0.000 0.896 186 L HN 0.201 nan 8.230 nan 0.000 0.432 187 K N 0.051 120.436 120.400 -0.025 0.000 2.097 187 K HA -0.151 4.171 4.320 0.004 0.000 0.206 187 K C 2.041 178.546 176.600 -0.159 0.000 1.049 187 K CA 1.156 57.398 56.287 -0.074 0.000 0.933 187 K CB -0.649 31.807 32.500 -0.073 0.000 0.717 187 K HN 0.169 nan 8.250 nan 0.000 0.442 188 L N 1.114 122.228 121.223 -0.183 0.000 2.056 188 L HA -0.040 4.303 4.340 0.004 0.000 0.207 188 L C 2.170 178.827 176.870 -0.355 0.000 1.078 188 L CA 1.807 56.438 54.840 -0.348 0.000 0.749 188 L CB -0.799 41.018 42.059 -0.403 0.000 0.901 188 L HN 0.135 nan 8.230 nan 0.000 0.433 189 A N -0.504 122.237 122.820 -0.133 0.000 1.883 189 A HA -0.264 4.058 4.320 0.004 0.000 0.217 189 A C 2.140 179.437 177.584 -0.479 0.000 1.186 189 A CA 1.985 53.902 52.037 -0.199 0.000 0.624 189 A CB -0.736 17.857 19.000 -0.677 0.000 0.822 189 A HN 0.630 nan 8.150 nan 0.000 0.444 190 E N -0.434 119.465 120.200 -0.502 0.000 2.097 190 E HA -0.208 4.144 4.350 0.004 0.000 0.196 190 E C 1.907 178.457 176.600 -0.083 0.000 1.000 190 E CA 1.484 57.770 56.400 -0.191 0.000 0.804 190 E CB -0.350 29.316 29.700 -0.056 0.000 0.740 190 E HN 0.734 nan 8.360 nan 0.000 0.454 191 I N 0.046 120.523 120.570 -0.155 0.000 2.252 191 I HA -0.251 3.922 4.170 0.004 0.000 0.245 191 I C 2.075 178.130 176.117 -0.103 0.000 1.102 191 I CA 0.860 62.069 61.300 -0.152 0.000 1.385 191 I CB -0.248 37.605 38.000 -0.245 0.000 1.064 191 I HN 0.077 nan 8.210 nan 0.000 0.414 192 Y N 1.378 121.589 120.300 -0.148 0.000 2.097 192 Y HA -0.274 4.279 4.550 0.004 0.000 0.282 192 Y C 2.941 178.793 175.900 -0.080 0.000 1.152 192 Y CA 1.635 59.644 58.100 -0.151 0.000 1.136 192 Y CB -1.485 36.841 38.460 -0.224 0.000 0.975 192 Y HN 0.129 nan 8.280 nan 0.000 0.498 193 T N -0.298 114.339 114.554 0.138 0.000 2.624 193 T HA -0.309 4.043 4.350 0.004 0.000 0.268 193 T C 1.840 176.590 174.700 0.083 0.000 1.041 193 T CA 1.882 64.054 62.100 0.120 0.000 1.159 193 T CB -0.401 68.583 68.868 0.195 0.000 0.863 193 T HN 0.461 nan 8.240 nan 0.000 0.434 194 E N 0.763 121.003 120.200 0.066 0.000 2.118 194 E HA -0.131 4.222 4.350 0.004 0.000 0.195 194 E C 2.288 178.917 176.600 0.049 0.000 0.992 194 E CA 0.991 57.421 56.400 0.050 0.000 0.804 194 E CB -0.234 29.484 29.700 0.031 0.000 0.741 194 E HN 0.497 nan 8.360 nan 0.000 0.458 195 A N -0.140 122.712 122.820 0.054 0.000 2.067 195 A HA 0.042 4.364 4.320 0.004 0.000 0.219 195 A C 1.905 179.538 177.584 0.082 0.000 1.158 195 A CA 1.518 53.596 52.037 0.068 0.000 0.661 195 A CB -0.412 18.641 19.000 0.089 0.000 0.801 195 A HN 0.554 nan 8.150 nan 0.000 0.452 196 G N -2.728 106.118 108.800 0.077 0.000 2.205 196 G HA2 -0.127 3.835 3.960 0.004 0.000 0.180 196 G HA3 -0.127 3.835 3.960 0.004 0.000 0.180 196 G C 0.121 175.066 174.900 0.075 0.000 1.004 196 G CA -0.096 45.056 45.100 0.087 0.000 0.670 196 G HN 0.691 nan 8.290 nan 0.000 0.496 197 V N 3.008 122.919 119.914 -0.006 0.000 2.493 197 V HA 0.279 4.401 4.120 0.004 0.000 0.292 197 V C -1.139 174.876 176.094 -0.132 0.000 1.016 197 V CA -0.458 61.706 62.300 -0.226 0.000 1.097 197 V CB 0.811 32.406 31.823 -0.380 0.000 0.947 197 V HN 0.200 nan 8.190 nan 0.000 0.479 198 P HA 0.080 nan 4.420 nan 0.000 0.267 198 P C -0.470 176.809 177.300 -0.035 0.000 1.200 198 P CA -0.352 62.741 63.100 -0.012 0.000 0.772 198 P CB 0.323 32.063 31.700 0.066 0.000 0.855 199 D N 1.391 121.793 120.400 0.002 0.000 2.533 199 D HA 0.199 4.841 4.640 0.004 0.000 0.236 199 D C 1.657 177.950 176.300 -0.012 0.000 1.137 199 D CA 1.935 55.935 54.000 -0.001 0.000 0.867 199 D CB -0.110 40.685 40.800 -0.008 0.000 1.170 199 D HN 0.685 nan 8.370 nan 0.000 0.474 200 G N 0.976 109.770 108.800 -0.010 0.000 2.217 200 G HA2 -0.329 3.634 3.960 0.004 0.000 0.246 200 G HA3 -0.329 3.634 3.960 0.004 0.000 0.246 200 G C 1.174 176.052 174.900 -0.036 0.000 0.990 200 G CA 0.238 45.326 45.100 -0.020 0.000 0.627 200 G HN 0.454 nan 8.290 nan 0.000 0.522 201 V N -0.696 119.171 119.914 -0.079 0.000 2.591 201 V HA 0.347 4.469 4.120 0.004 0.000 0.249 201 V C 0.936 176.977 176.094 -0.088 0.000 1.053 201 V CA 1.875 64.070 62.300 -0.174 0.000 1.068 201 V CB -0.102 31.450 31.823 -0.450 0.000 0.689 201 V HN 0.462 nan 8.190 nan 0.000 0.462 202 F N 1.686 121.523 119.950 -0.188 0.000 2.532 202 F HA 0.530 5.059 4.527 0.003 0.000 0.365 202 F C -0.268 175.563 175.800 0.051 0.000 1.112 202 F CA -1.095 56.850 58.000 -0.092 0.000 1.082 202 F CB 0.495 39.413 39.000 -0.135 0.000 1.319 202 F HN -0.011 nan 8.300 nan 0.000 0.457 203 N N 3.695 122.227 118.700 -0.281 0.000 2.456 203 N HA 0.571 5.313 4.740 0.004 0.000 0.296 203 N C -1.239 174.073 175.510 -0.330 0.000 1.102 203 N CA -0.423 52.531 53.050 -0.159 0.000 0.924 203 N CB 2.540 40.985 38.487 -0.071 0.000 1.186 203 N HN 0.252 nan 8.380 nan 0.000 0.492 204 V N 2.370 122.220 119.914 -0.106 0.000 2.487 204 V HA 0.460 4.582 4.120 0.004 0.000 0.298 204 V C -0.229 175.904 176.094 0.065 0.000 1.028 204 V CA -0.694 61.585 62.300 -0.035 0.000 0.860 204 V CB 1.539 33.384 31.823 0.036 0.000 0.991 204 V HN 0.395 nan 8.190 nan 0.000 0.427 205 L N 4.896 126.156 121.223 0.062 0.000 2.325 205 L HA 0.624 4.966 4.340 0.004 0.000 0.281 205 L C 0.421 177.362 176.870 0.119 0.000 1.004 205 L CA -0.377 54.520 54.840 0.095 0.000 0.823 205 L CB 2.271 44.378 42.059 0.080 0.000 1.236 205 L HN 0.765 nan 8.230 nan 0.000 0.415 206 T N -0.457 114.204 114.554 0.178 0.000 2.934 206 T HA 0.912 5.264 4.350 0.004 0.000 0.283 206 T C 0.272 175.126 174.700 0.256 0.000 1.005 206 T CA -0.211 62.039 62.100 0.251 0.000 1.041 206 T CB 2.242 71.311 68.868 0.335 0.000 1.042 206 T HN 0.953 nan 8.240 nan 0.000 0.505 207 G N 0.655 109.584 108.800 0.215 0.000 2.357 207 G HA2 0.376 4.338 3.960 0.004 0.000 0.289 207 G HA3 0.376 4.338 3.960 0.004 0.000 0.289 207 G C -0.478 174.307 174.900 -0.191 0.000 1.302 207 G CA -0.406 44.714 45.100 0.033 0.000 0.936 207 G HN 1.454 nan 8.290 nan 0.000 0.513 208 S N -0.530 115.037 115.700 -0.222 0.000 2.652 208 S HA 0.622 5.095 4.470 0.004 0.000 0.270 208 S C 1.702 176.183 174.600 -0.199 0.000 1.243 208 S CA 0.795 58.853 58.200 -0.236 0.000 0.999 208 S CB 1.349 64.415 63.200 -0.222 0.000 0.973 208 S HN 2.176 nan 8.310 nan 0.000 0.544 209 G N 0.877 109.588 108.800 -0.148 0.000 2.414 209 G HA2 -0.152 3.810 3.960 0.004 0.000 0.215 209 G HA3 -0.152 3.810 3.960 0.004 0.000 0.215 209 G C 1.465 176.258 174.900 -0.179 0.000 1.188 209 G CA 0.245 45.277 45.100 -0.114 0.000 0.783 209 G HN 0.761 nan 8.290 nan 0.000 0.537 210 R N 0.186 120.577 120.500 -0.181 0.000 2.200 210 R HA -0.024 4.318 4.340 0.004 0.000 0.234 210 R C 2.270 178.333 176.300 -0.395 0.000 1.127 210 R CA 1.440 57.411 56.100 -0.216 0.000 0.989 210 R CB 0.004 30.215 30.300 -0.148 0.000 0.869 210 R HN 0.538 nan 8.270 nan 0.000 0.459 211 E N -1.236 118.639 120.200 -0.542 0.000 2.118 211 E HA -0.060 4.292 4.350 0.004 0.000 0.203 211 E C 1.720 177.481 176.600 -1.397 0.000 0.958 211 E CA 0.517 56.234 56.400 -1.138 0.000 0.957 211 E CB -0.252 28.925 29.700 -0.871 0.000 1.205 211 E HN 0.047 nan 8.360 nan 0.000 0.494 212 V N 1.325 120.804 119.914 -0.725 0.000 2.427 212 V HA -0.097 4.025 4.120 0.004 0.000 0.248 212 V C 1.953 177.960 176.094 -0.145 0.000 1.051 212 V CA 2.539 64.691 62.300 -0.248 0.000 1.048 212 V CB -0.848 30.999 31.823 0.039 0.000 0.666 212 V HN 0.450 nan 8.190 nan 0.000 0.456 213 G N -0.762 107.934 108.800 -0.174 0.000 2.476 213 G HA2 -0.420 3.542 3.960 0.004 0.000 0.218 213 G HA3 -0.420 3.542 3.960 0.004 0.000 0.218 213 G C 1.489 176.334 174.900 -0.092 0.000 1.164 213 G CA 1.252 46.297 45.100 -0.092 0.000 0.768 213 G HN 0.618 nan 8.290 nan 0.000 0.560 214 Q N -0.664 119.012 119.800 -0.206 0.000 2.050 214 Q HA -0.113 4.229 4.340 0.004 0.000 0.202 214 Q C 2.353 178.352 176.000 -0.002 0.000 0.980 214 Q CA 1.894 57.599 55.803 -0.163 0.000 0.840 214 Q CB -0.293 28.281 28.738 -0.272 0.000 0.898 214 Q HN 0.634 nan 8.270 nan 0.000 0.424 215 W N 0.335 121.654 121.300 0.032 0.000 2.374 215 W HA -0.096 4.566 4.660 0.004 0.000 0.288 215 W C 1.832 178.400 176.519 0.081 0.000 1.218 215 W CA 0.556 57.934 57.345 0.055 0.000 1.245 215 W CB -0.883 28.611 29.460 0.057 0.000 1.126 215 W HN 0.272 nan 8.180 nan 0.000 0.545 216 L N 0.290 121.655 121.223 0.238 0.000 2.027 216 L HA -0.206 4.137 4.340 0.004 0.000 0.206 216 L C 2.661 179.615 176.870 0.140 0.000 1.074 216 L CA 2.276 57.211 54.840 0.158 0.000 0.745 216 L CB -1.482 40.630 42.059 0.088 0.000 0.898 216 L HN 0.009 nan 8.230 nan 0.000 0.433 217 T N -3.735 110.876 114.554 0.095 0.000 2.962 217 T HA -0.134 4.218 4.350 0.004 0.000 0.270 217 T C 1.514 176.262 174.700 0.079 0.000 1.088 217 T CA 0.945 63.084 62.100 0.065 0.000 1.127 217 T CB -0.167 68.706 68.868 0.009 0.000 0.883 217 T HN 0.371 nan 8.240 nan 0.000 0.493 218 E N -0.005 120.264 120.200 0.114 0.000 2.230 218 E HA 0.038 4.390 4.350 0.004 0.000 0.192 218 E C 0.391 177.053 176.600 0.104 0.000 0.987 218 E CA -0.056 56.407 56.400 0.105 0.000 0.841 218 E CB -0.065 29.714 29.700 0.132 0.000 0.783 218 E HN 0.682 nan 8.360 nan 0.000 0.481 219 H N 1.866 120.983 119.070 0.077 0.000 3.004 219 H HA -0.026 4.532 4.556 0.004 0.000 0.316 219 H C -1.479 173.875 175.328 0.043 0.000 1.014 219 H CA -1.115 54.969 56.048 0.060 0.000 1.454 219 H CB 1.065 30.866 29.762 0.065 0.000 1.472 219 H HN -0.069 nan 8.280 nan 0.000 0.571 220 P HA -0.139 nan 4.420 nan 0.000 0.223 220 P C 0.954 178.328 177.300 0.124 0.000 1.151 220 P CA 1.074 64.177 63.100 0.005 0.000 0.787 220 P CB 0.426 32.080 31.700 -0.077 0.000 0.788 221 L N -1.212 120.203 121.223 0.321 0.000 2.509 221 L HA 0.165 4.508 4.340 0.004 0.000 0.222 221 L C 1.346 178.312 176.870 0.161 0.000 1.123 221 L CA -0.039 54.945 54.840 0.240 0.000 0.856 221 L CB -0.277 41.934 42.059 0.253 0.000 0.985 221 L HN -0.130 nan 8.230 nan 0.000 0.456 222 I N 0.607 121.282 120.570 0.176 0.000 2.416 222 I HA 0.010 4.182 4.170 0.004 0.000 0.288 222 I C 1.145 177.319 176.117 0.096 0.000 1.051 222 I CA -0.051 61.313 61.300 0.107 0.000 1.375 222 I CB 1.175 39.234 38.000 0.100 0.000 1.407 222 I HN 0.074 nan 8.210 nan 0.000 0.516 223 E N 4.881 125.132 120.200 0.084 0.000 2.340 223 E HA 0.065 4.417 4.350 0.004 0.000 0.194 223 E C 0.202 176.838 176.600 0.060 0.000 0.996 223 E CA 0.479 56.921 56.400 0.070 0.000 0.869 223 E CB 0.481 30.222 29.700 0.068 0.000 0.835 223 E HN 0.528 nan 8.360 nan 0.000 0.493 224 K N 0.363 120.808 120.400 0.075 0.000 2.546 224 K HA 0.326 4.648 4.320 0.004 0.000 0.264 224 K C -1.641 175.012 176.600 0.088 0.000 0.937 224 K CA -0.527 55.795 56.287 0.059 0.000 0.833 224 K CB 1.535 34.053 32.500 0.030 0.000 1.378 224 K HN -0.237 nan 8.250 nan 0.000 0.432 225 I N 2.321 122.935 120.570 0.074 0.000 2.465 225 I HA 0.319 4.492 4.170 0.004 0.000 0.291 225 I C -0.622 175.571 176.117 0.127 0.000 1.014 225 I CA -0.519 60.845 61.300 0.106 0.000 1.093 225 I CB 1.430 39.479 38.000 0.081 0.000 1.267 225 I HN 0.651 nan 8.210 nan 0.000 0.431 226 S N 7.082 122.896 115.700 0.191 0.000 2.552 226 S HA 0.712 5.184 4.470 0.004 0.000 0.314 226 S C -1.243 173.510 174.600 0.255 0.000 1.099 226 S CA -0.396 57.937 58.200 0.221 0.000 1.070 226 S CB 0.707 64.082 63.200 0.292 0.000 0.998 226 S HN 0.387 nan 8.310 nan 0.000 0.474 227 F N 3.539 123.535 119.950 0.075 0.000 2.569 227 F HA 0.659 5.188 4.527 0.004 0.000 0.312 227 F C -0.717 175.107 175.800 0.040 0.000 1.109 227 F CA -0.151 57.871 58.000 0.038 0.000 0.919 227 F CB 2.077 41.080 39.000 0.006 0.000 1.211 227 F HN 0.454 nan 8.300 nan 0.000 0.446 228 T N 4.258 118.350 114.554 -0.770 0.000 2.848 228 T HA 0.842 5.194 4.350 0.004 0.000 0.285 228 T C -0.266 173.855 174.700 -0.965 0.000 0.995 228 T CA -0.319 61.447 62.100 -0.556 0.000 0.970 228 T CB 1.371 70.098 68.868 -0.235 0.000 0.976 228 T HN 1.139 nan 8.240 nan 0.000 0.441 229 G N 1.204 109.690 108.800 -0.524 0.000 2.344 229 G HA2 0.522 4.484 3.960 0.004 0.000 0.282 229 G HA3 0.522 4.484 3.960 0.004 0.000 0.282 229 G C -0.358 174.511 174.900 -0.053 0.000 1.281 229 G CA -0.310 44.586 45.100 -0.340 0.000 0.877 229 G HN 0.859 nan 8.290 nan 0.000 0.494 230 G N -1.118 107.695 108.800 0.020 0.000 2.539 230 G HA2 0.457 4.420 3.960 0.004 0.000 0.258 230 G HA3 0.457 4.420 3.960 0.004 0.000 0.258 230 G C 1.075 176.050 174.900 0.125 0.000 1.202 230 G CA 0.933 46.044 45.100 0.018 0.000 0.851 230 G HN 0.777 nan 8.290 nan 0.000 0.556 231 T N 0.622 115.249 114.554 0.122 0.000 2.746 231 T HA -0.184 4.169 4.350 0.004 0.000 0.267 231 T C 2.757 177.499 174.700 0.070 0.000 1.039 231 T CA 1.838 64.017 62.100 0.132 0.000 1.142 231 T CB -0.175 68.819 68.868 0.209 0.000 0.866 231 T HN 0.538 nan 8.240 nan 0.000 0.444 232 S N 0.509 116.249 115.700 0.068 0.000 2.368 232 S HA -0.147 4.325 4.470 0.004 0.000 0.225 232 S C 2.156 176.754 174.600 -0.004 0.000 1.030 232 S CA 1.947 60.166 58.200 0.032 0.000 0.999 232 S CB -0.675 62.554 63.200 0.048 0.000 0.844 232 S HN 0.546 nan 8.310 nan 0.000 0.459 233 T N 0.805 115.366 114.554 0.012 0.000 2.812 233 T HA 0.076 4.429 4.350 0.004 0.000 0.264 233 T C 1.956 176.512 174.700 -0.240 0.000 1.042 233 T CA 1.135 63.207 62.100 -0.047 0.000 1.140 233 T CB -1.081 67.836 68.868 0.082 0.000 0.870 233 T HN 0.555 nan 8.240 nan 0.000 0.445 234 G N 1.893 110.569 108.800 -0.207 0.000 2.440 234 G HA2 -0.251 3.711 3.960 0.004 0.000 0.218 234 G HA3 -0.251 3.711 3.960 0.004 0.000 0.218 234 G C 1.590 176.343 174.900 -0.245 0.000 1.154 234 G CA 0.867 45.754 45.100 -0.356 0.000 0.767 234 G HN 0.429 nan 8.290 nan 0.000 0.552 235 K N 0.471 120.796 120.400 -0.125 0.000 2.074 235 K HA -0.128 4.194 4.320 0.004 0.000 0.209 235 K C 2.606 179.135 176.600 -0.118 0.000 1.048 235 K CA 1.639 57.869 56.287 -0.096 0.000 0.926 235 K CB -0.128 32.339 32.500 -0.055 0.000 0.713 235 K HN 0.284 nan 8.250 nan 0.000 0.444 236 K N 0.314 120.631 120.400 -0.137 0.000 2.025 236 K HA -0.083 4.239 4.320 0.004 0.000 0.207 236 K C 2.094 178.594 176.600 -0.168 0.000 1.049 236 K CA 1.220 57.431 56.287 -0.128 0.000 0.933 236 K CB -0.204 32.230 32.500 -0.110 0.000 0.714 236 K HN -0.087 nan 8.250 nan 0.000 0.438 237 V N 1.886 121.631 119.914 -0.282 0.000 2.255 237 V HA -0.299 3.823 4.120 0.004 0.000 0.247 237 V C 2.412 178.381 176.094 -0.208 0.000 1.051 237 V CA 1.919 64.025 62.300 -0.323 0.000 1.018 237 V CB -0.398 31.012 31.823 -0.689 0.000 0.641 237 V HN 0.373 nan 8.190 nan 0.000 0.445 238 M N -0.242 119.239 119.600 -0.199 0.000 2.086 238 M HA -0.170 4.313 4.480 0.004 0.000 0.261 238 M C 2.194 178.448 176.300 -0.076 0.000 1.067 238 M CA 2.205 57.438 55.300 -0.112 0.000 1.116 238 M CB -0.313 32.234 32.600 -0.088 0.000 1.348 238 M HN 0.377 nan 8.290 nan 0.000 0.407 239 A N -0.905 121.870 122.820 -0.076 0.000 1.972 239 A HA -0.187 4.136 4.320 0.004 0.000 0.219 239 A C 2.169 179.727 177.584 -0.044 0.000 1.169 239 A CA 2.197 54.202 52.037 -0.053 0.000 0.635 239 A CB -0.972 17.997 19.000 -0.050 0.000 0.810 239 A HN 0.618 nan 8.150 nan 0.000 0.446 240 S N -0.407 115.261 115.700 -0.053 0.000 2.371 240 S HA 0.046 4.519 4.470 0.004 0.000 0.224 240 S C 2.201 176.790 174.600 -0.018 0.000 1.029 240 S CA 1.413 59.593 58.200 -0.034 0.000 0.978 240 S CB -0.505 62.669 63.200 -0.043 0.000 0.833 240 S HN 0.829 nan 8.310 nan 0.000 0.466 241 A N 1.127 123.931 122.820 -0.027 0.000 1.908 241 A HA -0.042 4.280 4.320 0.004 0.000 0.218 241 A C 2.431 180.013 177.584 -0.003 0.000 1.181 241 A CA 2.237 54.270 52.037 -0.007 0.000 0.627 241 A CB -1.249 17.743 19.000 -0.014 0.000 0.818 241 A HN 0.611 nan 8.150 nan 0.000 0.445 242 S N 0.512 116.203 115.700 -0.015 0.000 2.343 242 S HA -0.159 4.313 4.470 0.004 0.000 0.219 242 S C 2.317 176.912 174.600 -0.008 0.000 1.033 242 S CA 1.831 60.024 58.200 -0.012 0.000 1.014 242 S CB -0.613 62.575 63.200 -0.019 0.000 0.915 242 S HN 0.898 nan 8.310 nan 0.000 0.435 243 S N 2.048 117.742 115.700 -0.010 0.000 2.481 243 S HA -0.051 4.422 4.470 0.004 0.000 0.231 243 S C 1.932 176.530 174.600 -0.002 0.000 0.996 243 S CA 1.036 59.232 58.200 -0.007 0.000 0.942 243 S CB -0.533 62.662 63.200 -0.010 0.000 0.768 243 S HN 0.598 nan 8.310 nan 0.000 0.520 244 S N 2.187 117.888 115.700 0.002 0.000 2.362 244 S HA 0.034 4.506 4.470 0.004 0.000 0.221 244 S C 1.510 176.113 174.600 0.005 0.000 1.032 244 S CA 0.788 58.992 58.200 0.007 0.000 0.973 244 S CB -0.547 62.664 63.200 0.018 0.000 0.849 244 S HN 0.916 nan 8.310 nan 0.000 0.465 245 S N -0.319 115.388 115.700 0.010 0.000 3.088 245 S HA 0.417 4.889 4.470 0.004 0.000 0.249 245 S C 0.076 174.683 174.600 0.012 0.000 0.877 245 S CA -0.288 57.919 58.200 0.012 0.000 1.184 245 S CB -0.874 62.339 63.200 0.021 0.000 1.170 245 S HN 0.492 nan 8.310 nan 0.000 0.603 246 L N 0.764 121.991 121.223 0.007 0.000 3.677 246 L HA -0.214 4.129 4.340 0.004 0.000 0.464 246 L C 0.044 176.919 176.870 0.009 0.000 1.278 246 L CA 0.625 55.468 54.840 0.004 0.000 0.806 246 L CB -1.591 40.469 42.059 0.002 0.000 1.610 246 L HN 0.412 nan 8.230 nan 0.000 0.867 247 K N 0.732 121.140 120.400 0.014 0.000 2.258 247 K HA 0.288 4.610 4.320 0.004 0.000 0.264 247 K C 0.714 177.319 176.600 0.009 0.000 1.007 247 K CA -0.790 55.509 56.287 0.020 0.000 0.941 247 K CB 0.667 33.185 32.500 0.032 0.000 0.966 247 K HN 0.097 nan 8.250 nan 0.000 0.480 248 E N 1.399 121.603 120.200 0.006 0.000 2.404 248 E HA 0.106 4.459 4.350 0.004 0.000 0.261 248 E C -0.222 176.370 176.600 -0.013 0.000 1.074 248 E CA -0.076 56.319 56.400 -0.009 0.000 0.917 248 E CB 1.191 30.879 29.700 -0.020 0.000 0.965 248 E HN 0.394 nan 8.360 nan 0.000 0.433 249 V N -0.911 118.988 119.914 -0.024 0.000 3.049 249 V HA 0.690 4.812 4.120 0.004 0.000 0.309 249 V C -0.551 175.528 176.094 -0.026 0.000 1.148 249 V CA -0.685 61.608 62.300 -0.012 0.000 0.990 249 V CB 2.360 34.182 31.823 -0.002 0.000 1.039 249 V HN 0.540 nan 8.190 nan 0.000 0.430 250 T N 5.842 120.400 114.554 0.007 0.000 2.886 250 T HA 0.721 5.073 4.350 0.004 0.000 0.292 250 T C -0.707 174.052 174.700 0.099 0.000 1.012 250 T CA -0.458 61.654 62.100 0.021 0.000 0.982 250 T CB 1.425 70.302 68.868 0.016 0.000 1.018 250 T HN 0.751 nan 8.240 nan 0.000 0.451 251 M N 3.087 122.747 119.600 0.101 0.000 2.197 251 M HA 0.430 4.912 4.480 0.004 0.000 0.301 251 M C -0.955 175.428 176.300 0.138 0.000 0.987 251 M CA -0.770 54.633 55.300 0.171 0.000 0.921 251 M CB 1.785 34.464 32.600 0.132 0.000 1.569 251 M HN 0.513 nan 8.290 nan 0.000 0.431 252 E N 3.889 124.174 120.200 0.142 0.000 2.102 252 E HA 0.653 5.005 4.350 0.004 0.000 0.263 252 E C -0.530 176.111 176.600 0.068 0.000 0.894 252 E CA -0.199 56.257 56.400 0.093 0.000 0.746 252 E CB 1.586 31.337 29.700 0.086 0.000 1.129 252 E HN 0.525 nan 8.360 nan 0.000 0.416 253 L N 0.637 121.906 121.223 0.078 0.000 2.693 253 L HA 0.722 5.064 4.340 0.004 0.000 0.253 253 L C 1.157 178.022 176.870 -0.009 0.000 1.155 253 L CA -1.266 53.613 54.840 0.065 0.000 1.026 253 L CB 0.359 42.497 42.059 0.131 0.000 1.817 253 L HN 0.553 nan 8.230 nan 0.000 0.556 254 G N -1.730 107.049 108.800 -0.035 0.000 2.532 254 G HA2 0.629 4.591 3.960 0.004 0.000 0.291 254 G HA3 0.629 4.591 3.960 0.004 0.000 0.291 254 G C -0.636 174.110 174.900 -0.256 0.000 1.349 254 G CA 0.050 45.041 45.100 -0.181 0.000 1.038 254 G HN 0.842 nan 8.290 nan 0.000 0.518 255 G N -1.776 106.701 108.800 -0.537 0.000 2.548 255 G HA2 0.478 4.440 3.960 0.004 0.000 0.301 255 G HA3 0.478 4.440 3.960 0.004 0.000 0.301 255 G C -1.526 172.955 174.900 -0.697 0.000 1.349 255 G CA -0.580 44.067 45.100 -0.756 0.000 0.792 255 G HN 0.592 nan 8.290 nan 0.000 0.481 256 K N 0.645 120.835 120.400 -0.351 0.000 3.029 256 K HA 0.515 4.837 4.320 0.004 0.000 0.169 256 K C -0.327 176.318 176.600 0.075 0.000 1.090 256 K CA -0.267 55.968 56.287 -0.086 0.000 0.883 256 K CB 0.378 32.917 32.500 0.064 0.000 1.080 256 K HN 0.405 nan 8.250 nan 0.000 0.613 257 S N 3.633 119.400 115.700 0.112 0.000 2.528 257 S HA 0.312 4.785 4.470 0.004 0.000 0.277 257 S C -2.398 172.366 174.600 0.273 0.000 1.297 257 S CA -0.959 57.379 58.200 0.229 0.000 1.052 257 S CB 0.661 64.071 63.200 0.350 0.000 0.917 257 S HN 0.399 nan 8.310 nan 0.000 0.492 258 P HA 0.300 nan 4.420 nan 0.000 0.285 258 P C -1.065 176.443 177.300 0.346 0.000 1.259 258 P CA -0.675 62.618 63.100 0.322 0.000 0.794 258 P CB 0.802 32.673 31.700 0.286 0.000 0.940 259 L N 4.864 126.231 121.223 0.239 0.000 2.319 259 L HA 0.487 4.829 4.340 0.004 0.000 0.281 259 L C -0.780 176.155 176.870 0.108 0.000 1.005 259 L CA -0.618 54.334 54.840 0.187 0.000 0.828 259 L CB 0.603 42.620 42.059 -0.070 0.000 1.227 259 L HN 0.224 nan 8.230 nan 0.000 0.415 260 I N 6.305 126.868 120.570 -0.012 0.000 2.321 260 I HA 0.354 4.526 4.170 0.004 0.000 0.291 260 I C -0.593 175.310 176.117 -0.357 0.000 0.998 260 I CA -0.580 60.553 61.300 -0.277 0.000 1.227 260 I CB 1.374 38.986 38.000 -0.648 0.000 1.368 260 I HN 0.396 nan 8.210 nan 0.000 0.466 261 I N 7.014 127.410 120.570 -0.289 0.000 2.337 261 I HA 0.297 4.469 4.170 0.004 0.000 0.285 261 I C -0.077 175.967 176.117 -0.121 0.000 1.041 261 I CA -0.486 60.697 61.300 -0.195 0.000 1.199 261 I CB -0.136 37.700 38.000 -0.274 0.000 1.370 261 I HN 0.299 nan 8.210 nan 0.000 0.470 262 F N 7.720 127.725 119.950 0.091 0.000 2.410 262 F HA 0.307 4.836 4.527 0.004 0.000 0.334 262 F C -0.939 174.890 175.800 0.049 0.000 1.134 262 F CA -1.625 56.444 58.000 0.116 0.000 1.227 262 F CB 0.074 39.105 39.000 0.052 0.000 1.194 262 F HN 0.343 nan 8.300 nan 0.000 0.571 263 P HA -0.102 nan 4.420 nan 0.000 0.234 263 P C 0.206 177.531 177.300 0.041 0.000 1.167 263 P CA 0.997 64.116 63.100 0.033 0.000 0.763 263 P CB -0.134 31.460 31.700 -0.176 0.000 0.835 264 D N -1.040 119.406 120.400 0.077 0.000 2.395 264 D HA 0.216 4.858 4.640 0.004 0.000 0.226 264 D C 0.280 176.620 176.300 0.067 0.000 1.146 264 D CA -0.680 53.349 54.000 0.049 0.000 0.830 264 D CB -0.461 40.351 40.800 0.020 0.000 0.958 264 D HN -0.013 nan 8.370 nan 0.000 0.501 265 A N 0.248 123.121 122.820 0.088 0.000 2.304 265 A HA 0.320 4.642 4.320 0.004 0.000 0.301 265 A C 0.033 177.658 177.584 0.068 0.000 1.132 265 A CA -0.658 51.430 52.037 0.085 0.000 0.819 265 A CB 0.595 19.650 19.000 0.092 0.000 1.094 265 A HN 0.105 nan 8.150 nan 0.000 0.492 266 D N 1.843 122.281 120.400 0.063 0.000 2.412 266 D HA 0.011 4.654 4.640 0.004 0.000 0.257 266 D C 0.885 177.233 176.300 0.081 0.000 1.217 266 D CA 0.267 54.304 54.000 0.062 0.000 0.897 266 D CB 0.343 41.175 40.800 0.054 0.000 1.132 266 D HN 0.460 nan 8.370 nan 0.000 0.493 267 L N 3.460 124.738 121.223 0.091 0.000 2.156 267 L HA -0.112 4.231 4.340 0.004 0.000 0.208 267 L C 1.669 178.628 176.870 0.147 0.000 1.095 267 L CA 0.735 55.657 54.840 0.138 0.000 0.770 267 L CB 0.008 42.155 42.059 0.147 0.000 0.914 267 L HN 0.456 nan 8.230 nan 0.000 0.439 268 D N -0.352 120.104 120.400 0.094 0.000 2.097 268 D HA -0.215 4.427 4.640 0.004 0.000 0.197 268 D C 2.089 178.434 176.300 0.075 0.000 0.984 268 D CA 0.926 54.969 54.000 0.072 0.000 0.826 268 D CB -0.119 40.709 40.800 0.046 0.000 0.973 268 D HN 0.231 nan 8.370 nan 0.000 0.460 269 R N 1.079 121.622 120.500 0.071 0.000 2.096 269 R HA -0.190 4.152 4.340 0.004 0.000 0.240 269 R C 2.254 178.610 176.300 0.093 0.000 1.139 269 R CA 1.739 57.880 56.100 0.069 0.000 0.952 269 R CB -0.258 30.079 30.300 0.061 0.000 0.854 269 R HN 0.090 nan 8.270 nan 0.000 0.436 270 A N 0.535 123.428 122.820 0.121 0.000 1.917 270 A HA -0.175 4.148 4.320 0.004 0.000 0.219 270 A C 2.348 180.099 177.584 0.277 0.000 1.182 270 A CA 2.033 54.167 52.037 0.161 0.000 0.633 270 A CB -0.794 18.292 19.000 0.143 0.000 0.819 270 A HN 0.589 nan 8.150 nan 0.000 0.448 271 A N -0.544 122.446 122.820 0.284 0.000 1.929 271 A HA -0.090 4.232 4.320 0.004 0.000 0.216 271 A C 1.768 179.396 177.584 0.074 0.000 1.176 271 A CA 1.617 53.760 52.037 0.178 0.000 0.628 271 A CB -0.472 18.527 19.000 -0.001 0.000 0.816 271 A HN 0.455 nan 8.150 nan 0.000 0.444 272 D N 0.360 120.799 120.400 0.065 0.000 2.092 272 D HA -0.155 4.487 4.640 0.004 0.000 0.193 272 D C 1.854 178.168 176.300 0.025 0.000 0.994 272 D CA 1.342 55.366 54.000 0.040 0.000 0.828 272 D CB -0.361 40.461 40.800 0.037 0.000 0.963 272 D HN 0.508 nan 8.370 nan 0.000 0.450 273 I N 1.200 121.789 120.570 0.032 0.000 2.127 273 I HA -0.297 3.875 4.170 0.004 0.000 0.241 273 I C 2.519 178.573 176.117 -0.105 0.000 1.075 273 I CA 1.292 62.590 61.300 -0.004 0.000 1.334 273 I CB -0.245 37.788 38.000 0.056 0.000 1.040 273 I HN -0.067 nan 8.210 nan 0.000 0.405 274 A N 0.456 123.252 122.820 -0.041 0.000 1.902 274 A HA -0.188 4.134 4.320 0.004 0.000 0.217 274 A C 2.433 179.912 177.584 -0.175 0.000 1.181 274 A CA 2.198 54.173 52.037 -0.103 0.000 0.623 274 A CB -1.101 18.000 19.000 0.168 0.000 0.818 274 A HN 0.411 nan 8.150 nan 0.000 0.443 275 V N -3.182 116.697 119.914 -0.058 0.000 2.453 275 V HA -0.178 3.944 4.120 0.004 0.000 0.247 275 V C 2.176 178.274 176.094 0.007 0.000 1.048 275 V CA 1.901 64.216 62.300 0.024 0.000 1.049 275 V CB -0.794 31.139 31.823 0.183 0.000 0.672 275 V HN 0.402 nan 8.190 nan 0.000 0.457 276 M N 1.055 120.644 119.600 -0.019 0.000 2.213 276 M HA 0.014 4.496 4.480 0.004 0.000 0.263 276 M C 2.283 178.506 176.300 -0.129 0.000 1.062 276 M CA 2.117 57.410 55.300 -0.012 0.000 1.105 276 M CB -1.230 31.344 32.600 -0.043 0.000 1.385 276 M HN 0.607 nan 8.290 nan 0.000 0.417 277 A N -0.572 122.026 122.820 -0.369 0.000 2.238 277 A HA 0.003 4.325 4.320 0.004 0.000 0.208 277 A C 1.754 179.029 177.584 -0.514 0.000 1.177 277 A CA 0.743 52.354 52.037 -0.711 0.000 0.804 277 A CB -0.325 17.746 19.000 -1.548 0.000 0.823 277 A HN 0.506 nan 8.150 nan 0.000 0.482 278 N N -2.043 116.359 118.700 -0.496 0.000 2.360 278 N HA 0.155 4.897 4.740 0.004 0.000 0.211 278 N C -0.125 175.042 175.510 -0.571 0.000 1.147 278 N CA 0.547 53.189 53.050 -0.681 0.000 0.866 278 N CB 0.487 38.288 38.487 -1.144 0.000 1.206 278 N HN 0.406 nan 8.380 nan 0.000 0.478 279 F N -0.403 119.611 119.950 0.107 0.000 2.746 279 F HA 0.349 4.879 4.527 0.004 0.000 0.320 279 F C 0.340 176.287 175.800 0.245 0.000 1.097 279 F CA -1.052 57.083 58.000 0.225 0.000 1.195 279 F CB -0.334 38.787 39.000 0.202 0.000 1.056 279 F HN -0.187 nan 8.300 nan 0.000 0.562 280 F N 1.395 121.444 119.950 0.165 0.000 2.506 280 F HA 0.277 4.806 4.527 0.004 0.000 0.351 280 F C 1.467 177.292 175.800 0.040 0.000 1.136 280 F CA 0.255 58.318 58.000 0.105 0.000 1.298 280 F CB 0.556 39.606 39.000 0.082 0.000 1.145 280 F HN 0.035 nan 8.300 nan 0.000 0.593 281 S N 2.627 118.082 115.700 -0.408 0.000 3.549 281 S HA -0.259 4.214 4.470 0.004 0.000 0.366 281 S C 0.487 174.896 174.600 -0.319 0.000 1.012 281 S CA 0.847 58.833 58.200 -0.356 0.000 1.141 281 S CB -2.021 61.084 63.200 -0.158 0.000 0.910 281 S HN 0.972 nan 8.310 nan 0.000 0.471 282 S N -1.499 113.933 115.700 -0.446 0.000 3.581 282 S HA -0.153 4.319 4.470 0.004 0.000 0.354 282 S C 1.454 175.972 174.600 -0.137 0.000 1.059 282 S CA 1.028 58.843 58.200 -0.642 0.000 1.060 282 S CB -1.854 60.818 63.200 -0.879 0.000 0.908 282 S HN 2.463 nan 8.310 nan 0.000 0.475 283 G N 0.129 108.955 108.800 0.043 0.000 2.153 283 G HA2 -0.320 3.643 3.960 0.004 0.000 0.252 283 G HA3 -0.320 3.643 3.960 0.004 0.000 0.252 283 G C -0.118 174.703 174.900 -0.132 0.000 0.994 283 G CA 0.523 45.645 45.100 0.037 0.000 0.698 283 G HN 0.723 nan 8.290 nan 0.000 0.521 284 Q N -0.211 119.434 119.800 -0.259 0.000 2.553 284 Q HA 0.518 4.860 4.340 0.004 0.000 0.395 284 Q C -0.203 175.536 176.000 -0.436 0.000 0.971 284 Q CA -0.322 55.035 55.803 -0.743 0.000 1.090 284 Q CB 1.646 30.076 28.738 -0.513 0.000 1.328 284 Q HN 0.303 nan 8.270 nan 0.000 0.413 285 V N -0.318 119.566 119.914 -0.051 0.000 2.495 285 V HA 0.104 4.226 4.120 0.004 0.000 0.298 285 V C 0.908 177.228 176.094 0.377 0.000 1.031 285 V CA -0.728 61.713 62.300 0.235 0.000 0.871 285 V CB 1.625 33.604 31.823 0.260 0.000 0.988 285 V HN 0.620 nan 8.190 nan 0.000 0.432 286 C N 1.636 121.162 119.300 0.377 0.000 2.435 286 C HA -0.091 4.371 4.460 0.004 0.000 0.279 286 C C 2.539 177.651 174.990 0.203 0.000 1.321 286 C CA 1.273 60.449 59.018 0.264 0.000 1.752 286 C CB -1.146 26.631 27.740 0.062 0.000 1.959 286 C HN 1.019 nan 8.230 nan 0.000 0.500 287 T N -1.689 113.020 114.554 0.259 0.000 3.169 287 T HA 0.039 4.391 4.350 0.004 0.000 0.250 287 T C 0.315 175.371 174.700 0.594 0.000 1.111 287 T CA -0.040 62.279 62.100 0.366 0.000 1.010 287 T CB -0.664 68.457 68.868 0.422 0.000 0.984 287 T HN 0.362 nan 8.240 nan 0.000 0.537 288 N N 2.372 121.312 118.700 0.400 0.000 2.353 288 N HA 0.265 5.007 4.740 0.004 0.000 0.248 288 N C 0.564 176.184 175.510 0.184 0.000 1.240 288 N CA 0.436 53.633 53.050 0.246 0.000 0.862 288 N CB 0.437 38.969 38.487 0.075 0.000 1.086 288 N HN 0.513 nan 8.380 nan 0.000 0.453 289 G N -0.047 108.593 108.800 -0.266 0.000 3.286 289 G HA2 0.178 4.141 3.960 0.004 0.000 0.303 289 G HA3 0.178 4.141 3.960 0.004 0.000 0.303 289 G C 0.932 175.660 174.900 -0.286 0.000 0.974 289 G CA -0.472 44.383 45.100 -0.410 0.000 1.635 289 G HN 0.600 nan 8.290 nan 0.000 0.535 290 T N -1.545 112.940 114.554 -0.114 0.000 3.100 290 T HA 0.182 4.534 4.350 0.004 0.000 0.253 290 T C 1.021 175.667 174.700 -0.090 0.000 1.118 290 T CA -0.040 61.994 62.100 -0.110 0.000 1.058 290 T CB 0.340 69.173 68.868 -0.057 0.000 0.953 290 T HN 0.297 nan 8.240 nan 0.000 0.515 291 R N 1.270 121.727 120.500 -0.072 0.000 2.288 291 R HA 0.574 4.916 4.340 0.004 0.000 0.326 291 R C -1.501 174.703 176.300 -0.160 0.000 0.959 291 R CA -0.497 55.518 56.100 -0.142 0.000 0.834 291 R CB 1.957 32.211 30.300 -0.077 0.000 1.157 291 R HN 0.105 nan 8.270 nan 0.000 0.470 292 V N 5.260 125.037 119.914 -0.230 0.000 2.311 292 V HA 0.306 4.429 4.120 0.004 0.000 0.275 292 V C -0.424 175.537 176.094 -0.222 0.000 1.022 292 V CA -0.639 61.575 62.300 -0.144 0.000 0.830 292 V CB 0.427 32.233 31.823 -0.030 0.000 1.012 292 V HN 0.551 nan 8.190 nan 0.000 0.452 293 F N 5.375 125.281 119.950 -0.073 0.000 2.424 293 F HA 0.564 5.094 4.527 0.004 0.000 0.356 293 F C 0.091 175.910 175.800 0.032 0.000 1.110 293 F CA -0.236 57.766 58.000 0.004 0.000 1.161 293 F CB 1.190 40.115 39.000 -0.126 0.000 1.115 293 F HN 0.337 nan 8.300 nan 0.000 0.507 294 I N 3.153 123.839 120.570 0.193 0.000 2.545 294 I HA 0.309 4.481 4.170 0.004 0.000 0.292 294 I C -0.480 175.519 176.117 -0.197 0.000 1.040 294 I CA -0.680 60.599 61.300 -0.033 0.000 1.068 294 I CB 1.121 38.978 38.000 -0.238 0.000 1.251 294 I HN 0.523 nan 8.210 nan 0.000 0.424 295 H N 5.109 123.876 119.070 -0.504 0.000 2.790 295 H HA 0.232 4.790 4.556 0.004 0.000 0.358 295 H C 1.324 176.432 175.328 -0.367 0.000 1.103 295 H CA 0.697 56.257 56.048 -0.814 0.000 1.426 295 H CB 0.844 30.296 29.762 -0.517 0.000 1.424 295 H HN 0.602 nan 8.280 nan 0.000 0.599 296 R N 1.612 121.613 120.500 -0.832 0.000 2.133 296 R HA -0.201 4.141 4.340 0.004 0.000 0.247 296 R C 1.785 177.991 176.300 -0.158 0.000 1.151 296 R CA 1.942 57.791 56.100 -0.418 0.000 0.971 296 R CB -0.269 29.779 30.300 -0.420 0.000 0.866 296 R HN 0.770 nan 8.270 nan 0.000 0.447 297 S N -1.039 114.662 115.700 0.002 0.000 2.561 297 S HA -0.037 4.435 4.470 0.004 0.000 0.225 297 S C 1.233 175.882 174.600 0.081 0.000 0.977 297 S CA 0.437 58.699 58.200 0.103 0.000 0.926 297 S CB 0.358 63.682 63.200 0.207 0.000 0.769 297 S HN 0.466 nan 8.310 nan 0.000 0.533 298 Q N -0.275 119.567 119.800 0.071 0.000 2.164 298 Q HA 0.244 4.586 4.340 0.004 0.000 0.226 298 Q C 1.726 177.791 176.000 0.108 0.000 0.813 298 Q CA -0.187 55.666 55.803 0.083 0.000 0.978 298 Q CB 0.114 28.900 28.738 0.079 0.000 1.149 298 Q HN 0.616 nan 8.270 nan 0.000 0.489 299 Q N 1.179 121.020 119.800 0.068 0.000 2.061 299 Q HA -0.209 4.133 4.340 0.004 0.000 0.204 299 Q C 1.824 177.897 176.000 0.122 0.000 0.984 299 Q CA 1.830 57.695 55.803 0.104 0.000 0.846 299 Q CB 0.029 28.791 28.738 0.040 0.000 0.902 299 Q HN 0.410 nan 8.270 nan 0.000 0.421 300 A N 0.656 123.520 122.820 0.073 0.000 1.897 300 A HA -0.146 4.176 4.320 0.004 0.000 0.215 300 A C 2.023 179.639 177.584 0.053 0.000 1.181 300 A CA 1.244 53.311 52.037 0.050 0.000 0.620 300 A CB -0.331 18.686 19.000 0.029 0.000 0.821 300 A HN 0.344 nan 8.150 nan 0.000 0.443 301 R N -1.835 118.711 120.500 0.076 0.000 2.075 301 R HA -0.039 4.303 4.340 0.004 0.000 0.232 301 R C 1.985 178.346 176.300 0.102 0.000 1.126 301 R CA 1.453 57.597 56.100 0.074 0.000 0.963 301 R CB -0.526 29.823 30.300 0.081 0.000 0.858 301 R HN 0.542 nan 8.270 nan 0.000 0.435 302 F N 2.394 122.348 119.950 0.007 0.000 2.069 302 F HA -0.202 4.327 4.527 0.004 0.000 0.298 302 F C 1.906 177.707 175.800 0.001 0.000 1.113 302 F CA 1.668 59.672 58.000 0.008 0.000 1.214 302 F CB -0.213 38.795 39.000 0.013 0.000 0.978 302 F HN -0.024 nan 8.300 nan 0.000 0.474 303 E N 0.161 120.308 120.200 -0.089 0.000 2.070 303 E HA -0.285 4.067 4.350 0.004 0.000 0.197 303 E C 2.342 178.837 176.600 -0.174 0.000 1.004 303 E CA 1.304 57.604 56.400 -0.167 0.000 0.805 303 E CB -0.524 29.153 29.700 -0.038 0.000 0.744 303 E HN 0.524 nan 8.360 nan 0.000 0.451 304 A N 1.295 124.054 122.820 -0.102 0.000 1.933 304 A HA -0.209 4.114 4.320 0.004 0.000 0.218 304 A C 1.952 179.467 177.584 -0.116 0.000 1.175 304 A CA 1.418 53.402 52.037 -0.087 0.000 0.628 304 A CB -0.243 18.730 19.000 -0.044 0.000 0.814 304 A HN 0.046 nan 8.150 nan 0.000 0.444 305 K N -0.500 119.817 120.400 -0.139 0.000 2.057 305 K HA -0.048 4.274 4.320 0.004 0.000 0.206 305 K C 1.871 178.341 176.600 -0.217 0.000 1.050 305 K CA 1.329 57.529 56.287 -0.145 0.000 0.935 305 K CB -0.278 32.166 32.500 -0.094 0.000 0.715 305 K HN 0.309 nan 8.250 nan 0.000 0.439 306 V N 1.530 121.219 119.914 -0.375 0.000 2.358 306 V HA -0.234 3.888 4.120 0.004 0.000 0.246 306 V C 2.167 178.143 176.094 -0.197 0.000 1.047 306 V CA 1.348 63.445 62.300 -0.339 0.000 1.035 306 V CB -0.354 31.170 31.823 -0.499 0.000 0.658 306 V HN 0.245 nan 8.190 nan 0.000 0.452 307 L N 0.301 121.415 121.223 -0.182 0.000 1.989 307 L HA -0.202 4.140 4.340 0.004 0.000 0.211 307 L C 2.500 179.293 176.870 -0.127 0.000 1.071 307 L CA 2.352 57.107 54.840 -0.143 0.000 0.749 307 L CB -0.747 41.239 42.059 -0.122 0.000 0.890 307 L HN 0.419 nan 8.230 nan 0.000 0.431 308 E N -0.673 119.461 120.200 -0.110 0.000 2.086 308 E HA -0.322 4.030 4.350 0.004 0.000 0.200 308 E C 2.317 178.863 176.600 -0.090 0.000 1.012 308 E CA 1.836 58.183 56.400 -0.090 0.000 0.812 308 E CB -0.055 29.602 29.700 -0.072 0.000 0.743 308 E HN 0.471 nan 8.360 nan 0.000 0.453 309 R N -0.337 120.109 120.500 -0.090 0.000 2.075 309 R HA -0.090 4.253 4.340 0.004 0.000 0.232 309 R C 2.468 178.704 176.300 -0.106 0.000 1.126 309 R CA 1.259 57.315 56.100 -0.073 0.000 0.963 309 R CB -0.205 30.068 30.300 -0.045 0.000 0.858 309 R HN 0.094 nan 8.270 nan 0.000 0.435 310 V N 1.212 121.039 119.914 -0.144 0.000 2.490 310 V HA -0.242 3.880 4.120 0.004 0.000 0.250 310 V C 2.087 178.029 176.094 -0.254 0.000 1.061 310 V CA 1.691 63.840 62.300 -0.251 0.000 1.064 310 V CB -0.446 31.200 31.823 -0.295 0.000 0.670 310 V HN 0.365 nan 8.190 nan 0.000 0.461 311 Q N 0.087 119.777 119.800 -0.184 0.000 2.224 311 Q HA -0.154 4.188 4.340 0.004 0.000 0.203 311 Q C 2.218 178.131 176.000 -0.144 0.000 0.970 311 Q CA 1.258 56.962 55.803 -0.164 0.000 0.865 311 Q CB -0.142 28.520 28.738 -0.126 0.000 0.922 311 Q HN 0.725 nan 8.270 nan 0.000 0.445 312 R N 0.319 120.745 120.500 -0.124 0.000 2.334 312 R HA 0.160 4.502 4.340 0.004 0.000 0.220 312 R C 0.106 176.344 176.300 -0.103 0.000 0.917 312 R CA -0.128 55.915 56.100 -0.095 0.000 1.073 312 R CB -0.140 30.122 30.300 -0.063 0.000 1.056 312 R HN 0.085 nan 8.270 nan 0.000 0.506 313 I N 2.768 123.241 120.570 -0.161 0.000 2.683 313 I HA -0.016 4.156 4.170 0.004 0.000 0.286 313 I C 0.444 176.471 176.117 -0.150 0.000 1.175 313 I CA 0.192 61.386 61.300 -0.178 0.000 1.429 313 I CB 0.601 38.391 38.000 -0.350 0.000 1.371 313 I HN 0.112 nan 8.210 nan 0.000 0.569 314 R N 6.823 127.283 120.500 -0.067 0.000 3.171 314 R HA 0.308 4.650 4.340 0.004 0.000 0.241 314 R C -0.454 175.850 176.300 0.007 0.000 1.421 314 R CA -0.597 55.484 56.100 -0.032 0.000 1.444 314 R CB 0.342 30.643 30.300 0.002 0.000 1.247 314 R HN 0.548 nan 8.270 nan 0.000 0.636 315 L N 1.952 123.141 121.223 -0.056 0.000 2.462 315 L HA 0.338 4.681 4.340 0.004 0.000 0.272 315 L C 0.205 177.022 176.870 -0.089 0.000 1.166 315 L CA 0.667 55.497 54.840 -0.017 0.000 0.880 315 L CB 0.425 42.388 42.059 -0.160 0.000 1.142 315 L HN 0.659 nan 8.230 nan 0.000 0.473 316 G N 3.249 112.064 108.800 0.025 0.000 2.494 316 G HA2 0.073 4.036 3.960 0.004 0.000 0.308 316 G HA3 0.073 4.036 3.960 0.004 0.000 0.308 316 G C -1.753 173.337 174.900 0.316 0.000 1.263 316 G CA -0.631 44.571 45.100 0.170 0.000 0.840 316 G HN 0.519 nan 8.290 nan 0.000 0.479 317 D N 1.129 121.719 120.400 0.318 0.000 2.412 317 D HA 0.250 4.893 4.640 0.004 0.000 0.257 317 D C -0.808 175.580 176.300 0.147 0.000 1.217 317 D CA -1.711 52.438 54.000 0.249 0.000 0.897 317 D CB 1.596 42.488 40.800 0.153 0.000 1.132 317 D HN 0.016 nan 8.370 nan 0.000 0.493 318 P HA -0.122 nan 4.420 nan 0.000 0.230 318 P C 0.844 178.157 177.300 0.022 0.000 1.158 318 P CA 0.852 63.971 63.100 0.033 0.000 0.769 318 P CB 0.291 31.977 31.700 -0.023 0.000 0.807 319 Q N -0.596 119.227 119.800 0.038 0.000 2.378 319 Q HA -0.042 4.301 4.340 0.004 0.000 0.205 319 Q C 0.577 176.594 176.000 0.028 0.000 0.954 319 Q CA 0.484 56.303 55.803 0.028 0.000 0.901 319 Q CB -0.224 28.532 28.738 0.029 0.000 0.981 319 Q HN 0.273 nan 8.270 nan 0.000 0.483 320 D N 1.367 121.790 120.400 0.038 0.000 2.339 320 D HA -0.006 4.637 4.640 0.004 0.000 0.256 320 D C 0.571 176.887 176.300 0.027 0.000 1.214 320 D CA 0.198 54.218 54.000 0.033 0.000 0.877 320 D CB 0.931 41.758 40.800 0.045 0.000 1.111 320 D HN 0.055 nan 8.370 nan 0.000 0.478 321 E N 2.565 122.777 120.200 0.020 0.000 2.233 321 E HA -0.262 4.090 4.350 0.004 0.000 0.199 321 E C 1.023 177.636 176.600 0.021 0.000 1.004 321 E CA 1.027 57.438 56.400 0.018 0.000 0.819 321 E CB 0.170 29.880 29.700 0.017 0.000 0.738 321 E HN 0.507 nan 8.360 nan 0.000 0.478 322 N N -0.597 118.117 118.700 0.024 0.000 2.396 322 N HA -0.045 4.697 4.740 0.004 0.000 0.180 322 N C -0.215 175.314 175.510 0.031 0.000 1.028 322 N CA 0.484 53.550 53.050 0.026 0.000 0.893 322 N CB 0.389 38.891 38.487 0.024 0.000 0.967 322 N HN -0.075 nan 8.380 nan 0.000 0.440 323 T N 0.852 115.427 114.554 0.036 0.000 2.870 323 T HA 0.040 4.392 4.350 0.004 0.000 0.300 323 T C 0.756 175.473 174.700 0.029 0.000 0.989 323 T CA -0.122 62.005 62.100 0.044 0.000 1.139 323 T CB 0.579 69.482 68.868 0.059 0.000 0.920 323 T HN 0.402 nan 8.240 nan 0.000 0.537 324 N N 1.538 120.266 118.700 0.047 0.000 2.200 324 N HA 0.161 4.903 4.740 0.004 0.000 0.224 324 N C -0.706 174.857 175.510 0.088 0.000 1.179 324 N CA -0.459 52.614 53.050 0.039 0.000 0.877 324 N CB 0.257 38.781 38.487 0.061 0.000 1.072 324 N HN 0.522 nan 8.380 nan 0.000 0.519 325 F N 0.174 120.072 119.950 -0.086 0.000 2.689 325 F HA 0.686 5.215 4.527 0.004 0.000 0.332 325 F C -0.087 175.672 175.800 -0.069 0.000 1.209 325 F CA -0.793 57.148 58.000 -0.099 0.000 1.028 325 F CB 1.265 40.202 39.000 -0.105 0.000 1.291 325 F HN 0.039 nan 8.300 nan 0.000 0.500 326 G N 4.524 113.083 108.800 -0.401 0.000 2.938 326 G HA2 0.694 4.657 3.960 0.004 0.000 0.258 326 G HA3 0.694 4.657 3.960 0.004 0.000 0.258 326 G C -2.953 171.669 174.900 -0.465 0.000 1.356 326 G CA -1.761 43.185 45.100 -0.256 0.000 1.052 326 G HN 0.374 nan 8.290 nan 0.000 0.550 327 P HA 0.220 nan 4.420 nan 0.000 0.277 327 P C 0.038 176.991 177.300 -0.579 0.000 1.276 327 P CA -0.360 62.158 63.100 -0.971 0.000 0.788 327 P CB 0.938 31.902 31.700 -1.226 0.000 1.114 328 L N -0.046 120.889 121.223 -0.480 0.000 2.475 328 L HA 0.117 4.459 4.340 0.004 0.000 0.253 328 L C 2.210 178.862 176.870 -0.362 0.000 1.198 328 L CA -0.406 54.237 54.840 -0.330 0.000 0.814 328 L CB 0.409 42.340 42.059 -0.215 0.000 1.134 328 L HN 0.117 nan 8.230 nan 0.000 0.478 329 V N 0.335 120.050 119.914 -0.331 0.000 2.594 329 V HA -0.112 4.010 4.120 0.004 0.000 0.253 329 V C 0.905 176.768 176.094 -0.385 0.000 1.069 329 V CA 1.667 63.724 62.300 -0.405 0.000 1.082 329 V CB 0.131 31.562 31.823 -0.654 0.000 0.680 329 V HN 0.945 nan 8.190 nan 0.000 0.469 330 S N -3.404 112.077 115.700 -0.365 0.000 2.615 330 S HA 0.428 4.900 4.470 0.004 0.000 0.269 330 S C -0.112 174.343 174.600 -0.242 0.000 1.161 330 S CA -0.415 57.638 58.200 -0.245 0.000 0.817 330 S CB 0.710 63.796 63.200 -0.190 0.000 1.131 330 S HN 0.026 nan 8.310 nan 0.000 0.467 331 F N 0.874 120.783 119.950 -0.069 0.000 2.128 331 F HA 0.199 4.729 4.527 0.004 0.000 0.295 331 F C -0.811 174.978 175.800 -0.018 0.000 1.100 331 F CA 1.030 59.008 58.000 -0.037 0.000 1.260 331 F CB -1.744 37.243 39.000 -0.021 0.000 1.009 331 F HN 0.420 nan 8.300 nan 0.000 0.476 332 P HA -0.235 nan 4.420 nan 0.000 0.216 332 P C 1.260 178.619 177.300 0.098 0.000 1.157 332 P CA 1.899 65.061 63.100 0.103 0.000 0.880 332 P CB -0.125 31.623 31.700 0.081 0.000 0.791 333 H N -1.263 117.782 119.070 -0.042 0.000 2.357 333 H HA -0.059 4.499 4.556 0.004 0.000 0.301 333 H C 2.005 177.330 175.328 -0.005 0.000 1.082 333 H CA 1.602 57.632 56.048 -0.029 0.000 1.342 333 H CB -0.839 28.828 29.762 -0.158 0.000 1.389 333 H HN -0.059 nan 8.280 nan 0.000 0.511 334 M N 0.347 119.864 119.600 -0.139 0.000 2.073 334 M HA -0.239 4.243 4.480 0.004 0.000 0.258 334 M C 1.866 178.133 176.300 -0.056 0.000 1.070 334 M CA 2.299 57.515 55.300 -0.140 0.000 1.103 334 M CB -0.108 32.410 32.600 -0.135 0.000 1.321 334 M HN 0.422 nan 8.290 nan 0.000 0.405 335 E N -0.388 119.815 120.200 0.005 0.000 2.097 335 E HA -0.236 4.116 4.350 0.004 0.000 0.196 335 E C 2.040 178.654 176.600 0.025 0.000 1.000 335 E CA 1.762 58.181 56.400 0.031 0.000 0.804 335 E CB -0.290 29.442 29.700 0.055 0.000 0.740 335 E HN 0.623 nan 8.360 nan 0.000 0.454 336 S N 0.273 115.990 115.700 0.029 0.000 2.368 336 S HA -0.114 4.358 4.470 0.004 0.000 0.224 336 S C 2.178 176.860 174.600 0.138 0.000 1.029 336 S CA 1.003 59.249 58.200 0.076 0.000 0.988 336 S CB -0.129 63.167 63.200 0.159 0.000 0.838 336 S HN 0.091 nan 8.310 nan 0.000 0.462 337 V N 2.426 122.372 119.914 0.054 0.000 2.295 337 V HA -0.145 3.977 4.120 0.004 0.000 0.246 337 V C 2.522 178.704 176.094 0.147 0.000 1.049 337 V CA 1.950 64.318 62.300 0.114 0.000 1.024 337 V CB -0.821 30.972 31.823 -0.051 0.000 0.648 337 V HN 0.492 nan 8.190 nan 0.000 0.447 338 L N 0.444 121.711 121.223 0.075 0.000 2.079 338 L HA -0.142 4.200 4.340 0.004 0.000 0.210 338 L C 2.627 179.542 176.870 0.075 0.000 1.081 338 L CA 1.732 56.619 54.840 0.077 0.000 0.752 338 L CB -1.173 40.915 42.059 0.049 0.000 0.896 338 L HN 0.505 nan 8.230 nan 0.000 0.433 339 G N -1.131 107.691 108.800 0.037 0.000 2.418 339 G HA2 -0.287 3.675 3.960 0.004 0.000 0.217 339 G HA3 -0.287 3.675 3.960 0.004 0.000 0.217 339 G C 1.300 176.162 174.900 -0.063 0.000 1.158 339 G CA 0.511 45.588 45.100 -0.038 0.000 0.771 339 G HN 0.256 nan 8.290 nan 0.000 0.545 340 Y N 0.547 120.878 120.300 0.051 0.000 2.242 340 Y HA 0.046 4.598 4.550 0.004 0.000 0.291 340 Y C 2.736 178.676 175.900 0.067 0.000 1.137 340 Y CA 0.733 58.863 58.100 0.050 0.000 1.181 340 Y CB -0.163 38.336 38.460 0.065 0.000 0.989 340 Y HN 0.124 nan 8.280 nan 0.000 0.527 341 I N -0.380 120.361 120.570 0.285 0.000 2.286 341 I HA -0.261 3.911 4.170 0.004 0.000 0.248 341 I C 2.147 178.421 176.117 0.261 0.000 1.115 341 I CA 1.191 62.696 61.300 0.343 0.000 1.392 341 I CB -0.208 37.955 38.000 0.271 0.000 1.065 341 I HN 0.199 nan 8.210 nan 0.000 0.418 342 E N 0.198 120.481 120.200 0.139 0.000 2.072 342 E HA -0.181 4.171 4.350 0.004 0.000 0.191 342 E C 2.265 178.894 176.600 0.049 0.000 0.985 342 E CA 1.321 57.774 56.400 0.089 0.000 0.801 342 E CB -0.464 29.263 29.700 0.046 0.000 0.750 342 E HN 0.331 nan 8.360 nan 0.000 0.452 343 S N 0.334 116.041 115.700 0.012 0.000 2.365 343 S HA -0.177 4.295 4.470 0.004 0.000 0.225 343 S C 2.157 176.714 174.600 -0.071 0.000 1.039 343 S CA 1.974 60.159 58.200 -0.026 0.000 1.033 343 S CB -0.644 62.535 63.200 -0.035 0.000 0.887 343 S HN 0.356 nan 8.310 nan 0.000 0.447 344 G N 1.199 109.902 108.800 -0.162 0.000 2.476 344 G HA2 -0.246 3.717 3.960 0.004 0.000 0.218 344 G HA3 -0.246 3.717 3.960 0.004 0.000 0.218 344 G C 1.561 176.325 174.900 -0.228 0.000 1.164 344 G CA 1.107 45.891 45.100 -0.527 0.000 0.768 344 G HN 0.598 nan 8.290 nan 0.000 0.560 345 K N 0.518 120.951 120.400 0.056 0.000 2.002 345 K HA 0.043 4.366 4.320 0.004 0.000 0.209 345 K C 3.014 179.650 176.600 0.059 0.000 1.048 345 K CA 1.035 57.411 56.287 0.148 0.000 0.930 345 K CB -0.325 32.278 32.500 0.172 0.000 0.714 345 K HN 0.256 nan 8.250 nan 0.000 0.438 346 A N 1.610 124.448 122.820 0.030 0.000 1.917 346 A HA -0.230 4.092 4.320 0.004 0.000 0.219 346 A C 1.787 179.372 177.584 0.001 0.000 1.182 346 A CA 1.501 53.546 52.037 0.014 0.000 0.633 346 A CB -0.447 18.555 19.000 0.005 0.000 0.819 346 A HN 0.370 nan 8.150 nan 0.000 0.448 347 Q N -0.888 118.900 119.800 -0.021 0.000 2.415 347 Q HA 0.082 4.424 4.340 0.004 0.000 0.206 347 Q C -0.537 175.452 176.000 -0.018 0.000 0.946 347 Q CA 0.243 56.030 55.803 -0.027 0.000 0.951 347 Q CB 0.071 28.780 28.738 -0.048 0.000 1.026 347 Q HN 0.623 nan 8.270 nan 0.000 0.510 348 K N -0.953 119.449 120.400 0.003 0.000 3.192 348 K HA -0.173 4.149 4.320 0.004 0.000 0.278 348 K C -0.295 176.329 176.600 0.040 0.000 1.164 348 K CA 0.358 56.663 56.287 0.030 0.000 0.816 348 K CB -1.974 30.541 32.500 0.024 0.000 1.256 348 K HN 0.325 nan 8.250 nan 0.000 0.497 349 A N 1.538 124.373 122.820 0.026 0.000 2.386 349 A HA 0.315 4.637 4.320 0.004 0.000 0.248 349 A C 0.412 178.142 177.584 0.242 0.000 1.082 349 A CA -0.179 51.910 52.037 0.087 0.000 0.789 349 A CB 0.390 19.356 19.000 -0.056 0.000 1.025 349 A HN 0.388 nan 8.150 nan 0.000 0.490 350 R N 1.314 121.948 120.500 0.223 0.000 2.265 350 R HA 0.396 4.738 4.340 0.004 0.000 0.314 350 R C -1.065 175.326 176.300 0.150 0.000 1.053 350 R CA -0.603 55.594 56.100 0.161 0.000 0.931 350 R CB 0.387 30.737 30.300 0.084 0.000 1.024 350 R HN 0.569 nan 8.270 nan 0.000 0.457 351 L N 6.049 127.296 121.223 0.041 0.000 2.325 351 L HA 0.121 4.463 4.340 0.004 0.000 0.284 351 L C 0.331 177.115 176.870 -0.144 0.000 1.089 351 L CA 0.211 54.939 54.840 -0.187 0.000 0.836 351 L CB 1.102 43.039 42.059 -0.204 0.000 1.184 351 L HN 0.836 nan 8.230 nan 0.000 0.444 352 L N 5.701 126.823 121.223 -0.168 0.000 2.102 352 L HA 0.207 4.550 4.340 0.004 0.000 0.202 352 L C 0.440 177.221 176.870 -0.148 0.000 1.076 352 L CA 1.140 55.908 54.840 -0.120 0.000 0.761 352 L CB 0.231 42.234 42.059 -0.093 0.000 0.921 352 L HN 0.834 nan 8.230 nan 0.000 0.444 353 C N -3.387 115.794 119.300 -0.198 0.000 3.311 353 C HA 0.816 5.278 4.460 0.004 0.000 0.325 353 C C 0.681 175.525 174.990 -0.243 0.000 1.352 353 C CA -0.734 58.163 59.018 -0.202 0.000 1.308 353 C CB 0.869 28.493 27.740 -0.193 0.000 1.619 353 C HN 0.934 nan 8.230 nan 0.000 0.469 354 G N 0.501 109.168 108.800 -0.221 0.000 2.528 354 G HA2 0.358 4.321 3.960 0.004 0.000 0.262 354 G HA3 0.358 4.321 3.960 0.004 0.000 0.262 354 G C 1.080 175.872 174.900 -0.181 0.000 1.200 354 G CA 1.948 46.921 45.100 -0.212 0.000 0.951 354 G HN 3.249 nan 8.290 nan 0.000 0.566 355 G N -0.991 107.718 108.800 -0.151 0.000 2.159 355 G HA2 0.279 4.241 3.960 0.004 0.000 0.227 355 G HA3 0.279 4.241 3.960 0.004 0.000 0.227 355 G C 0.151 175.032 174.900 -0.032 0.000 0.986 355 G CA 1.654 46.690 45.100 -0.108 0.000 0.651 355 G HN 2.208 nan 8.290 nan 0.000 0.523 356 E N -1.170 119.009 120.200 -0.035 0.000 2.454 356 E HA 0.568 4.920 4.350 0.004 0.000 0.279 356 E C -0.359 176.243 176.600 0.003 0.000 1.029 356 E CA -1.285 55.112 56.400 -0.004 0.000 0.831 356 E CB 1.008 30.706 29.700 -0.004 0.000 1.405 356 E HN 0.190 nan 8.360 nan 0.000 0.463 357 R N 0.836 121.351 120.500 0.025 0.000 2.585 357 R HA 0.171 4.513 4.340 0.004 0.000 0.275 357 R C -0.656 175.666 176.300 0.037 0.000 1.018 357 R CA -0.069 56.057 56.100 0.044 0.000 1.072 357 R CB 0.508 30.846 30.300 0.063 0.000 0.953 357 R HN 0.350 nan 8.270 nan 0.000 0.419 358 V N 4.719 124.660 119.914 0.045 0.000 2.383 358 V HA 0.151 4.274 4.120 0.004 0.000 0.275 358 V C 1.046 177.195 176.094 0.091 0.000 1.036 358 V CA -0.142 62.164 62.300 0.010 0.000 0.889 358 V CB 1.276 33.019 31.823 -0.134 0.000 0.985 358 V HN 1.056 nan 8.190 nan 0.000 0.459 359 T N -0.994 113.623 114.554 0.105 0.000 3.043 359 T HA 0.158 4.511 4.350 0.004 0.000 0.272 359 T C 0.282 175.050 174.700 0.113 0.000 0.990 359 T CA -0.372 61.806 62.100 0.129 0.000 0.897 359 T CB 0.026 68.949 68.868 0.092 0.000 1.111 359 T HN 0.533 nan 8.240 nan 0.000 0.529 360 D N 2.500 122.974 120.400 0.124 0.000 2.472 360 D HA 0.341 4.983 4.640 0.004 0.000 0.237 360 D C 1.488 177.755 176.300 -0.056 0.000 1.141 360 D CA 1.600 55.632 54.000 0.052 0.000 0.875 360 D CB 0.776 41.617 40.800 0.069 0.000 1.192 360 D HN 0.474 nan 8.370 nan 0.000 0.450 361 G N 2.104 110.841 108.800 -0.105 0.000 2.652 361 G HA2 -0.384 3.578 3.960 0.004 0.000 0.318 361 G HA3 -0.384 3.578 3.960 0.004 0.000 0.318 361 G C 1.132 175.918 174.900 -0.190 0.000 1.295 361 G CA 1.330 46.322 45.100 -0.181 0.000 0.999 361 G HN 0.696 nan 8.290 nan 0.000 0.548 362 A N -1.326 121.308 122.820 -0.311 0.000 2.067 362 A HA 0.305 4.627 4.320 0.004 0.000 0.219 362 A C 2.184 179.700 177.584 -0.114 0.000 1.158 362 A CA 2.238 54.147 52.037 -0.213 0.000 0.661 362 A CB -0.463 18.402 19.000 -0.224 0.000 0.801 362 A HN 0.771 nan 8.150 nan 0.000 0.452 363 F N 0.564 120.442 119.950 -0.119 0.000 2.287 363 F HA -0.104 4.425 4.527 0.004 0.000 0.301 363 F C 2.435 178.269 175.800 0.057 0.000 1.069 363 F CA 0.497 58.369 58.000 -0.213 0.000 1.372 363 F CB -1.246 37.477 39.000 -0.461 0.000 1.056 363 F HN 0.279 nan 8.300 nan 0.000 0.523 364 G N -0.355 108.564 108.800 0.198 0.000 2.509 364 G HA2 -0.160 3.802 3.960 0.004 0.000 0.218 364 G HA3 -0.160 3.802 3.960 0.004 0.000 0.218 364 G C 1.803 176.835 174.900 0.221 0.000 1.124 364 G CA 0.257 45.469 45.100 0.188 0.000 0.776 364 G HN 0.198 nan 8.290 nan 0.000 0.547 365 K N 0.556 121.090 120.400 0.222 0.000 2.296 365 K HA 0.056 4.378 4.320 0.004 0.000 0.200 365 K C 1.466 178.322 176.600 0.427 0.000 1.048 365 K CA 0.520 56.953 56.287 0.244 0.000 0.966 365 K CB 0.135 32.731 32.500 0.161 0.000 0.754 365 K HN 0.251 nan 8.250 nan 0.000 0.466 366 G N 0.165 109.239 108.800 0.456 0.000 2.521 366 G HA2 0.474 4.436 3.960 0.004 0.000 0.323 366 G HA3 0.474 4.436 3.960 0.004 0.000 0.323 366 G C -0.898 174.011 174.900 0.016 0.000 1.211 366 G CA -0.498 44.783 45.100 0.301 0.000 0.979 366 G HN 0.116 nan 8.290 nan 0.000 0.490 367 A N 0.239 122.688 122.820 -0.620 0.000 3.175 367 A HA 0.564 4.886 4.320 0.004 0.000 0.289 367 A C -0.981 176.341 177.584 -0.437 0.000 1.429 367 A CA -0.518 51.096 52.037 -0.705 0.000 1.155 367 A CB -0.634 17.677 19.000 -1.148 0.000 1.169 367 A HN 0.484 nan 8.150 nan 0.000 0.574 368 Y N 0.340 120.548 120.300 -0.154 0.000 2.367 368 Y HA 0.417 4.970 4.550 0.004 0.000 0.342 368 Y C 0.187 176.045 175.900 -0.070 0.000 0.979 368 Y CA -0.323 57.706 58.100 -0.118 0.000 1.161 368 Y CB 1.490 39.863 38.460 -0.144 0.000 1.155 368 Y HN 0.210 nan 8.280 nan 0.000 0.503 369 V N 4.020 123.984 119.914 0.083 0.000 2.435 369 V HA 0.612 4.734 4.120 0.004 0.000 0.290 369 V C 0.254 176.428 176.094 0.133 0.000 1.030 369 V CA -1.186 61.163 62.300 0.081 0.000 0.881 369 V CB 1.287 33.137 31.823 0.045 0.000 0.983 369 V HN 0.899 nan 8.190 nan 0.000 0.445 370 A N 7.341 130.165 122.820 0.007 0.000 2.445 370 A HA 0.530 4.852 4.320 0.004 0.000 0.242 370 A C -2.375 175.076 177.584 -0.222 0.000 1.075 370 A CA -1.065 50.885 52.037 -0.146 0.000 0.777 370 A CB -0.287 18.608 19.000 -0.176 0.000 1.013 370 A HN 0.673 nan 8.150 nan 0.000 0.493 371 P HA 0.163 nan 4.420 nan 0.000 0.262 371 P C -0.523 176.486 177.300 -0.486 0.000 1.199 371 P CA 0.690 63.298 63.100 -0.820 0.000 0.763 371 P CB 0.464 31.248 31.700 -1.526 0.000 0.790 372 T N 2.991 117.468 114.554 -0.129 0.000 2.824 372 T HA 0.450 4.802 4.350 0.004 0.000 0.282 372 T C -0.493 174.247 174.700 0.066 0.000 0.993 372 T CA -0.434 61.620 62.100 -0.077 0.000 0.967 372 T CB 1.080 69.921 68.868 -0.045 0.000 0.960 372 T HN -0.048 nan 8.240 nan 0.000 0.441 373 V N 4.177 124.034 119.914 -0.094 0.000 2.483 373 V HA 0.526 4.648 4.120 0.004 0.000 0.297 373 V C -0.922 175.066 176.094 -0.177 0.000 1.027 373 V CA -0.899 61.391 62.300 -0.015 0.000 0.855 373 V CB 0.979 32.808 31.823 0.010 0.000 0.995 373 V HN 0.791 nan 8.190 nan 0.000 0.424 374 F N 2.405 122.375 119.950 0.034 0.000 2.397 374 F HA 0.727 5.256 4.527 0.004 0.000 0.331 374 F C 0.737 176.544 175.800 0.011 0.000 1.090 374 F CA -0.046 57.965 58.000 0.019 0.000 1.065 374 F CB 2.032 41.044 39.000 0.020 0.000 1.184 374 F HN 0.461 nan 8.300 nan 0.000 0.499 375 T N -0.441 114.240 114.554 0.212 0.000 2.838 375 T HA 0.331 4.683 4.350 0.004 0.000 0.292 375 T C -1.102 173.661 174.700 0.105 0.000 1.113 375 T CA -0.489 61.685 62.100 0.123 0.000 1.008 375 T CB 0.921 69.837 68.868 0.080 0.000 1.259 375 T HN 0.606 nan 8.240 nan 0.000 0.520 376 D N 0.223 120.661 120.400 0.064 0.000 2.837 376 D HA -0.138 4.504 4.640 0.004 0.000 0.230 376 D C 0.116 176.436 176.300 0.033 0.000 1.152 376 D CA 0.467 54.494 54.000 0.044 0.000 0.736 376 D CB -2.176 38.652 40.800 0.046 0.000 1.084 376 D HN 0.542 nan 8.370 nan 0.000 0.429 377 C N 0.446 119.759 119.300 0.022 0.000 2.580 377 C HA 0.544 5.006 4.460 0.004 0.000 0.371 377 C C 1.225 176.208 174.990 -0.011 0.000 1.308 377 C CA -0.581 58.433 59.018 -0.008 0.000 2.428 377 C CB 0.722 28.444 27.740 -0.029 0.000 2.529 377 C HN 0.172 nan 8.230 nan 0.000 0.657 378 R N 1.028 121.521 120.500 -0.013 0.000 2.795 378 R HA 0.276 4.619 4.340 0.004 0.000 0.275 378 R C -0.407 175.899 176.300 0.010 0.000 0.981 378 R CA -0.716 55.388 56.100 0.007 0.000 0.917 378 R CB 1.077 31.384 30.300 0.013 0.000 1.202 378 R HN 0.573 nan 8.270 nan 0.000 0.469 379 D N 1.141 121.564 120.400 0.037 0.000 2.264 379 D HA -0.139 4.503 4.640 0.004 0.000 0.208 379 D C 1.044 177.371 176.300 0.044 0.000 0.966 379 D CA 1.447 55.480 54.000 0.055 0.000 0.864 379 D CB 0.070 40.924 40.800 0.089 0.000 0.933 379 D HN 0.570 nan 8.370 nan 0.000 0.499 380 D N -0.537 119.882 120.400 0.033 0.000 2.349 380 D HA -0.078 4.565 4.640 0.004 0.000 0.215 380 D C 0.797 177.109 176.300 0.020 0.000 1.016 380 D CA -0.080 53.938 54.000 0.029 0.000 0.870 380 D CB -0.353 40.463 40.800 0.025 0.000 0.917 380 D HN 0.140 nan 8.370 nan 0.000 0.524 381 M N 0.866 120.470 119.600 0.007 0.000 2.249 381 M HA 0.048 4.530 4.480 0.004 0.000 0.340 381 M C 1.266 177.573 176.300 0.011 0.000 1.166 381 M CA 0.079 55.373 55.300 -0.010 0.000 1.115 381 M CB 1.006 33.576 32.600 -0.049 0.000 1.606 381 M HN -0.179 nan 8.290 nan 0.000 0.448 382 T N 2.821 117.389 114.554 0.024 0.000 2.720 382 T HA -0.147 4.205 4.350 0.004 0.000 0.268 382 T C 1.571 176.338 174.700 0.112 0.000 1.037 382 T CA 1.888 64.041 62.100 0.088 0.000 1.144 382 T CB -0.554 68.376 68.868 0.105 0.000 0.864 382 T HN 0.791 nan 8.240 nan 0.000 0.444 383 I N -0.136 120.457 120.570 0.038 0.000 2.700 383 I HA -0.054 4.119 4.170 0.004 0.000 0.261 383 I C 1.974 178.070 176.117 -0.035 0.000 1.219 383 I CA 0.962 62.255 61.300 -0.013 0.000 1.463 383 I CB -0.558 37.342 38.000 -0.167 0.000 1.092 383 I HN 0.031 nan 8.210 nan 0.000 0.452 384 V N 0.822 120.725 119.914 -0.017 0.000 2.795 384 V HA 0.068 4.190 4.120 0.004 0.000 0.243 384 V C 2.606 178.725 176.094 0.043 0.000 1.069 384 V CA 0.995 63.291 62.300 -0.007 0.000 1.089 384 V CB -0.523 31.288 31.823 -0.020 0.000 0.756 384 V HN 0.324 nan 8.190 nan 0.000 0.471 385 R N 0.236 120.776 120.500 0.067 0.000 2.153 385 R HA 0.073 4.415 4.340 0.004 0.000 0.218 385 R C 0.451 176.848 176.300 0.161 0.000 1.072 385 R CA 0.661 56.827 56.100 0.109 0.000 0.990 385 R CB 0.165 30.521 30.300 0.095 0.000 0.889 385 R HN 0.534 nan 8.270 nan 0.000 0.452 386 E N 0.864 121.138 120.200 0.124 0.000 2.199 386 E HA 0.103 4.455 4.350 0.004 0.000 0.269 386 E C -1.172 175.412 176.600 -0.026 0.000 0.899 386 E CA -0.419 56.063 56.400 0.138 0.000 0.772 386 E CB 2.109 31.940 29.700 0.218 0.000 1.155 386 E HN 0.048 nan 8.360 nan 0.000 0.408 387 E N 3.073 123.274 120.200 0.002 0.000 2.417 387 E HA -0.011 4.341 4.350 0.004 0.000 0.261 387 E C 0.187 176.661 176.600 -0.211 0.000 1.000 387 E CA 0.230 56.557 56.400 -0.121 0.000 0.919 387 E CB 0.508 30.108 29.700 -0.167 0.000 0.955 387 E HN 0.523 nan 8.360 nan 0.000 0.455 388 I N 4.288 124.730 120.570 -0.213 0.000 3.339 388 I HA 0.015 4.187 4.170 0.004 0.000 0.285 388 I C 0.331 176.566 176.117 0.197 0.000 1.201 388 I CA -0.208 60.928 61.300 -0.273 0.000 1.434 388 I CB 0.261 38.069 38.000 -0.320 0.000 1.152 388 I HN 0.648 nan 8.210 nan 0.000 0.443 389 F N 2.299 122.283 119.950 0.057 0.000 3.067 389 F HA -0.184 4.345 4.527 0.004 0.000 0.279 389 F C 0.382 176.403 175.800 0.369 0.000 0.945 389 F CA 0.572 58.706 58.000 0.223 0.000 0.948 389 F CB -1.262 37.921 39.000 0.305 0.000 0.898 389 F HN 0.160 nan 8.300 nan 0.000 0.746 390 G N -0.266 108.645 108.800 0.184 0.000 2.721 390 G HA2 0.635 4.597 3.960 0.004 0.000 0.296 390 G HA3 0.635 4.597 3.960 0.004 0.000 0.296 390 G C -3.154 171.824 174.900 0.130 0.000 1.383 390 G CA -0.651 44.510 45.100 0.101 0.000 0.788 390 G HN -0.098 nan 8.290 nan 0.000 0.500 391 P HA 0.347 nan 4.420 nan 0.000 0.238 391 P C -0.734 176.817 177.300 0.418 0.000 1.794 391 P CA -0.145 63.212 63.100 0.429 0.000 1.088 391 P CB 0.471 32.548 31.700 0.628 0.000 1.923 392 V N 4.248 124.314 119.914 0.252 0.000 2.445 392 V HA 0.300 4.422 4.120 0.004 0.000 0.283 392 V C 0.252 176.419 176.094 0.122 0.000 1.014 392 V CA -0.575 61.866 62.300 0.234 0.000 0.852 392 V CB 1.901 33.864 31.823 0.234 0.000 1.021 392 V HN 0.406 nan 8.190 nan 0.000 0.435 393 M N 3.457 123.122 119.600 0.110 0.000 2.180 393 M HA 0.466 4.949 4.480 0.004 0.000 0.358 393 M C -0.264 176.097 176.300 0.101 0.000 1.233 393 M CA 0.246 55.544 55.300 -0.003 0.000 1.114 393 M CB 1.171 33.729 32.600 -0.069 0.000 1.594 393 M HN 0.593 nan 8.290 nan 0.000 0.467 394 S N 6.563 122.286 115.700 0.038 0.000 2.448 394 S HA 0.509 4.982 4.470 0.004 0.000 0.320 394 S C -0.355 174.230 174.600 -0.026 0.000 1.071 394 S CA -0.660 57.565 58.200 0.042 0.000 1.113 394 S CB 0.401 63.593 63.200 -0.013 0.000 0.972 394 S HN 0.652 nan 8.310 nan 0.000 0.465 395 I N 4.152 124.741 120.570 0.031 0.000 2.325 395 I HA 0.298 4.471 4.170 0.004 0.000 0.291 395 I C -0.777 175.313 176.117 -0.044 0.000 1.019 395 I CA -0.421 60.894 61.300 0.025 0.000 1.302 395 I CB 0.732 38.822 38.000 0.151 0.000 1.401 395 I HN 0.350 nan 8.210 nan 0.000 0.485 396 L N 7.220 128.343 121.223 -0.166 0.000 2.333 396 L HA 0.454 4.796 4.340 0.004 0.000 0.280 396 L C -0.225 176.633 176.870 -0.020 0.000 1.004 396 L CA -0.739 53.998 54.840 -0.172 0.000 0.820 396 L CB 1.825 43.604 42.059 -0.467 0.000 1.247 396 L HN 0.252 nan 8.230 nan 0.000 0.416 397 V N 3.530 123.462 119.914 0.031 0.000 2.614 397 V HA 0.223 4.345 4.120 0.004 0.000 0.291 397 V C -0.421 175.761 176.094 0.146 0.000 1.049 397 V CA -0.119 62.201 62.300 0.033 0.000 1.038 397 V CB 0.622 32.428 31.823 -0.029 0.000 0.980 397 V HN 0.666 nan 8.190 nan 0.000 0.481 398 Y N 1.251 121.564 120.300 0.022 0.000 2.638 398 Y HA 0.621 5.174 4.550 0.004 0.000 0.339 398 Y C 0.073 175.908 175.900 -0.107 0.000 1.084 398 Y CA -1.217 56.904 58.100 0.035 0.000 1.068 398 Y CB 1.652 40.192 38.460 0.132 0.000 1.294 398 Y HN 0.464 nan 8.280 nan 0.000 0.480 399 D N -0.155 120.275 120.400 0.050 0.000 2.482 399 D HA 0.020 4.663 4.640 0.004 0.000 0.251 399 D C -0.707 175.792 176.300 0.332 0.000 1.073 399 D CA 0.749 54.719 54.000 -0.051 0.000 0.892 399 D CB 0.846 41.644 40.800 -0.003 0.000 1.202 399 D HN 0.785 nan 8.370 nan 0.000 0.496 400 D N 0.168 120.840 120.400 0.453 0.000 2.581 400 D HA 0.055 4.698 4.640 0.004 0.000 0.232 400 D C 0.661 177.184 176.300 0.371 0.000 1.143 400 D CA -0.466 53.771 54.000 0.394 0.000 0.881 400 D CB 2.771 43.698 40.800 0.212 0.000 1.500 400 D HN -0.153 nan 8.370 nan 0.000 0.458 401 E N 0.642 121.016 120.200 0.290 0.000 2.058 401 E HA -0.236 4.117 4.350 0.004 0.000 0.194 401 E C 0.697 177.349 176.600 0.087 0.000 0.997 401 E CA 1.511 58.056 56.400 0.242 0.000 0.801 401 E CB 0.067 29.850 29.700 0.138 0.000 0.746 401 E HN 0.366 nan 8.360 nan 0.000 0.450 402 D N 0.357 120.794 120.400 0.062 0.000 2.178 402 D HA -0.173 4.469 4.640 0.004 0.000 0.202 402 D C 1.776 178.068 176.300 -0.012 0.000 0.974 402 D CA 0.939 54.950 54.000 0.019 0.000 0.841 402 D CB -0.208 40.608 40.800 0.026 0.000 0.953 402 D HN 0.405 nan 8.370 nan 0.000 0.478 403 E N 0.663 120.868 120.200 0.008 0.000 2.047 403 E HA -0.149 4.204 4.350 0.004 0.000 0.191 403 E C 1.993 178.513 176.600 -0.135 0.000 0.987 403 E CA 0.975 57.371 56.400 -0.006 0.000 0.799 403 E CB 0.035 29.785 29.700 0.083 0.000 0.752 403 E HN 0.119 nan 8.360 nan 0.000 0.449 404 A N 1.294 123.940 122.820 -0.289 0.000 1.908 404 A HA -0.175 4.147 4.320 0.004 0.000 0.218 404 A C 2.202 179.413 177.584 -0.622 0.000 1.181 404 A CA 1.467 53.090 52.037 -0.689 0.000 0.627 404 A CB -0.639 17.684 19.000 -1.128 0.000 0.818 404 A HN 0.354 nan 8.150 nan 0.000 0.445 405 I N -1.219 119.155 120.570 -0.326 0.000 2.252 405 I HA -0.210 3.962 4.170 0.004 0.000 0.245 405 I C 2.716 178.727 176.117 -0.176 0.000 1.102 405 I CA 1.514 62.685 61.300 -0.216 0.000 1.385 405 I CB -0.286 37.666 38.000 -0.080 0.000 1.064 405 I HN 0.396 nan 8.210 nan 0.000 0.414 406 R N 1.239 121.660 120.500 -0.131 0.000 2.073 406 R HA -0.137 4.205 4.340 0.004 0.000 0.234 406 R C 2.447 178.700 176.300 -0.079 0.000 1.134 406 R CA 1.349 57.405 56.100 -0.073 0.000 0.952 406 R CB -0.107 30.172 30.300 -0.036 0.000 0.850 406 R HN 0.258 nan 8.270 nan 0.000 0.433 407 R N 0.106 120.528 120.500 -0.130 0.000 2.092 407 R HA -0.062 4.280 4.340 0.004 0.000 0.231 407 R C 2.360 178.598 176.300 -0.103 0.000 1.119 407 R CA 1.177 57.235 56.100 -0.070 0.000 0.970 407 R CB -0.422 29.884 30.300 0.010 0.000 0.864 407 R HN 0.289 nan 8.270 nan 0.000 0.440 408 A N 1.972 124.543 122.820 -0.414 0.000 1.917 408 A HA -0.198 4.124 4.320 0.004 0.000 0.219 408 A C 1.705 179.276 177.584 -0.020 0.000 1.182 408 A CA 1.679 53.570 52.037 -0.243 0.000 0.633 408 A CB -0.403 18.387 19.000 -0.349 0.000 0.819 408 A HN 0.259 nan 8.150 nan 0.000 0.448 409 N N -0.074 118.604 118.700 -0.037 0.000 2.467 409 N HA -0.017 4.725 4.740 0.004 0.000 0.184 409 N C -0.222 175.313 175.510 0.043 0.000 1.106 409 N CA 0.593 53.653 53.050 0.016 0.000 0.892 409 N CB -0.112 38.379 38.487 0.006 0.000 0.969 409 N HN 0.489 nan 8.380 nan 0.000 0.454 410 D N 0.538 120.967 120.400 0.048 0.000 2.563 410 D HA 0.133 4.776 4.640 0.004 0.000 0.222 410 D C -0.786 175.562 176.300 0.079 0.000 1.145 410 D CA 0.038 54.071 54.000 0.056 0.000 1.001 410 D CB -0.033 40.799 40.800 0.052 0.000 1.049 410 D HN -0.115 nan 8.370 nan 0.000 0.515 411 T N 0.824 115.423 114.554 0.075 0.000 2.830 411 T HA 0.203 4.555 4.350 0.004 0.000 0.322 411 T C 0.315 175.032 174.700 0.028 0.000 1.501 411 T CA -0.591 61.560 62.100 0.084 0.000 1.036 411 T CB 1.154 70.130 68.868 0.181 0.000 1.379 411 T HN -0.017 nan 8.240 nan 0.000 0.493 412 E N 0.986 121.138 120.200 -0.080 0.000 2.358 412 E HA 0.172 4.524 4.350 0.004 0.000 0.195 412 E C -0.247 176.266 176.600 -0.144 0.000 1.010 412 E CA 0.739 57.041 56.400 -0.163 0.000 0.856 412 E CB -0.117 29.398 29.700 -0.308 0.000 0.795 412 E HN 0.509 nan 8.360 nan 0.000 0.504 413 Y N -0.271 120.061 120.300 0.054 0.000 2.340 413 Y HA 0.565 5.117 4.550 0.004 0.000 0.327 413 Y C 1.534 177.474 175.900 0.066 0.000 1.321 413 Y CA -0.302 57.833 58.100 0.058 0.000 1.433 413 Y CB 1.140 39.635 38.460 0.058 0.000 1.373 413 Y HN -0.067 nan 8.280 nan 0.000 0.538 414 G N 0.122 109.082 108.800 0.266 0.000 5.473 414 G HA2 0.099 4.061 3.960 0.004 0.000 0.206 414 G HA3 0.099 4.061 3.960 0.004 0.000 0.206 414 G C -0.079 174.853 174.900 0.053 0.000 0.904 414 G CA -0.240 44.947 45.100 0.146 0.000 0.697 414 G HN 0.497 nan 8.290 nan 0.000 0.279 415 L N 0.764 122.014 121.223 0.046 0.000 2.062 415 L HA 0.812 5.154 4.340 0.004 0.000 0.202 415 L C 1.219 178.022 176.870 -0.111 0.000 1.079 415 L CA 2.194 57.032 54.840 -0.004 0.000 0.755 415 L CB -0.180 41.893 42.059 0.023 0.000 0.913 415 L HN 0.416 nan 8.230 nan 0.000 0.445 416 A N -1.739 121.034 122.820 -0.079 0.000 2.486 416 A HA 0.914 5.236 4.320 0.004 0.000 0.289 416 A C -1.351 176.188 177.584 -0.075 0.000 1.176 416 A CA -0.056 51.864 52.037 -0.195 0.000 0.757 416 A CB 1.314 20.231 19.000 -0.139 0.000 1.337 416 A HN 0.571 nan 8.150 nan 0.000 0.423 417 A N -1.012 121.705 122.820 -0.171 0.000 2.599 417 A HA 0.828 5.150 4.320 0.004 0.000 0.294 417 A C -0.394 177.198 177.584 0.014 0.000 1.055 417 A CA 0.096 52.159 52.037 0.043 0.000 0.683 417 A CB 1.011 20.000 19.000 -0.020 0.000 1.278 417 A HN 2.419 nan 8.150 nan 0.000 0.412 418 G N -0.692 108.301 108.800 0.322 0.000 2.690 418 G HA2 0.821 4.783 3.960 0.004 0.000 0.293 418 G HA3 0.821 4.783 3.960 0.004 0.000 0.293 418 G C -0.911 174.147 174.900 0.264 0.000 1.399 418 G CA 0.077 45.381 45.100 0.340 0.000 0.890 418 G HN 2.109 nan 8.290 nan 0.000 0.485 419 V N -1.766 118.268 119.914 0.201 0.000 2.876 419 V HA 0.891 5.013 4.120 0.004 0.000 0.312 419 V C -0.820 175.374 176.094 0.166 0.000 1.085 419 V CA -1.103 61.293 62.300 0.160 0.000 0.945 419 V CB 1.701 33.674 31.823 0.249 0.000 1.017 419 V HN 0.771 nan 8.190 nan 0.000 0.428 420 V N 2.685 122.688 119.914 0.148 0.000 2.443 420 V HA 0.861 4.984 4.120 0.004 0.000 0.293 420 V C -0.040 176.177 176.094 0.206 0.000 1.021 420 V CA 0.193 62.575 62.300 0.138 0.000 0.848 420 V CB 0.949 32.823 31.823 0.085 0.000 0.998 420 V HN 1.315 nan 8.190 nan 0.000 0.424 421 T N 3.119 117.770 114.554 0.162 0.000 3.128 421 T HA 0.280 4.632 4.350 0.004 0.000 0.363 421 T C -0.173 174.560 174.700 0.055 0.000 1.610 421 T CA -0.348 61.836 62.100 0.139 0.000 1.126 421 T CB 2.114 71.067 68.868 0.142 0.000 1.416 421 T HN 0.656 nan 8.240 nan 0.000 0.480 422 Q N 1.231 121.052 119.800 0.034 0.000 2.360 422 Q HA 0.182 4.524 4.340 0.004 0.000 0.202 422 Q C -0.317 175.677 176.000 -0.010 0.000 0.915 422 Q CA -0.054 55.757 55.803 0.013 0.000 0.943 422 Q CB 0.333 29.082 28.738 0.018 0.000 1.064 422 Q HN 0.599 nan 8.270 nan 0.000 0.511 423 D N 0.434 120.815 120.400 -0.031 0.000 2.312 423 D HA 0.049 4.691 4.640 0.004 0.000 0.252 423 D C 0.617 176.882 176.300 -0.059 0.000 1.150 423 D CA -0.263 53.706 54.000 -0.050 0.000 0.870 423 D CB 1.092 41.842 40.800 -0.084 0.000 1.153 423 D HN -0.043 nan 8.370 nan 0.000 0.457 424 L N 5.422 126.629 121.223 -0.027 0.000 1.956 424 L HA -0.118 4.224 4.340 0.004 0.000 0.216 424 L C 2.025 178.908 176.870 0.021 0.000 1.073 424 L CA 2.543 57.388 54.840 0.009 0.000 0.762 424 L CB -0.825 41.264 42.059 0.050 0.000 0.889 424 L HN 0.577 nan 8.230 nan 0.000 0.433 425 A N -0.217 122.601 122.820 -0.003 0.000 1.869 425 A HA -0.345 3.978 4.320 0.004 0.000 0.218 425 A C 2.535 180.067 177.584 -0.087 0.000 1.203 425 A CA 2.459 54.480 52.037 -0.026 0.000 0.638 425 A CB -0.971 18.004 19.000 -0.042 0.000 0.831 425 A HN 0.593 nan 8.150 nan 0.000 0.450 426 R N -0.507 119.903 120.500 -0.150 0.000 2.113 426 R HA -0.192 4.150 4.340 0.004 0.000 0.244 426 R C 2.334 178.487 176.300 -0.246 0.000 1.142 426 R CA 1.866 57.806 56.100 -0.266 0.000 0.953 426 R CB -0.539 29.526 30.300 -0.391 0.000 0.860 426 R HN 0.486 nan 8.270 nan 0.000 0.438 427 A N 0.680 123.380 122.820 -0.200 0.000 1.873 427 A HA -0.232 4.091 4.320 0.004 0.000 0.218 427 A C 2.026 179.448 177.584 -0.270 0.000 1.193 427 A CA 1.825 53.731 52.037 -0.218 0.000 0.629 427 A CB -0.957 17.865 19.000 -0.297 0.000 0.826 427 A HN 0.515 nan 8.150 nan 0.000 0.447 428 H N -0.781 118.167 119.070 -0.203 0.000 2.333 428 H HA -0.006 4.552 4.556 0.004 0.000 0.302 428 H C 2.406 177.377 175.328 -0.595 0.000 1.075 428 H CA 1.377 57.175 56.048 -0.417 0.000 1.348 428 H CB -0.294 29.241 29.762 -0.378 0.000 1.393 428 H HN 0.413 nan 8.280 nan 0.000 0.509 429 R N 0.812 121.176 120.500 -0.227 0.000 2.112 429 R HA -0.152 4.190 4.340 0.004 0.000 0.242 429 R C 2.450 178.692 176.300 -0.097 0.000 1.137 429 R CA 1.318 57.327 56.100 -0.152 0.000 0.944 429 R CB -0.771 29.470 30.300 -0.098 0.000 0.857 429 R HN 0.280 nan 8.270 nan 0.000 0.435 430 A N 1.101 123.864 122.820 -0.094 0.000 1.858 430 A HA -0.167 4.155 4.320 0.004 0.000 0.216 430 A C 2.211 179.809 177.584 0.022 0.000 1.190 430 A CA 1.318 53.354 52.037 -0.002 0.000 0.617 430 A CB -0.518 18.542 19.000 0.099 0.000 0.827 430 A HN 0.202 nan 8.150 nan 0.000 0.443 431 I N -0.225 120.338 120.570 -0.011 0.000 2.361 431 I HA -0.239 3.934 4.170 0.004 0.000 0.251 431 I C 2.150 178.338 176.117 0.119 0.000 1.133 431 I CA 1.549 62.864 61.300 0.025 0.000 1.413 431 I CB -0.469 37.532 38.000 0.001 0.000 1.073 431 I HN 0.492 nan 8.210 nan 0.000 0.424 432 H N -0.929 118.153 119.070 0.019 0.000 2.457 432 H HA -0.033 4.525 4.556 0.004 0.000 0.294 432 H C 1.918 177.255 175.328 0.015 0.000 1.064 432 H CA 0.549 56.608 56.048 0.019 0.000 1.330 432 H CB 0.110 29.888 29.762 0.028 0.000 1.395 432 H HN 0.260 nan 8.280 nan 0.000 0.541 433 R N 0.318 120.893 120.500 0.125 0.000 2.280 433 R HA 0.145 4.487 4.340 0.004 0.000 0.195 433 R C -0.023 176.303 176.300 0.042 0.000 0.935 433 R CA -0.067 56.075 56.100 0.071 0.000 1.033 433 R CB 0.458 30.785 30.300 0.046 0.000 0.964 433 R HN 0.114 nan 8.270 nan 0.000 0.489 434 L N 1.954 123.190 121.223 0.022 0.000 2.319 434 L HA 0.113 4.456 4.340 0.004 0.000 0.280 434 L C 0.075 176.916 176.870 -0.050 0.000 1.099 434 L CA 0.066 54.895 54.840 -0.018 0.000 0.828 434 L CB 1.075 43.112 42.059 -0.037 0.000 1.150 434 L HN 0.033 nan 8.230 nan 0.000 0.442 435 E N 3.771 123.959 120.200 -0.018 0.000 2.110 435 E HA 0.402 4.754 4.350 0.004 0.000 0.300 435 E C -0.369 176.094 176.600 -0.230 0.000 1.278 435 E CA -0.293 56.127 56.400 0.033 0.000 1.365 435 E CB 0.489 30.299 29.700 0.184 0.000 1.283 435 E HN 0.616 nan 8.360 nan 0.000 0.490 436 A N -0.077 122.318 122.820 -0.708 0.000 2.515 436 A HA 0.610 4.932 4.320 0.004 0.000 0.298 436 A C 0.906 177.828 177.584 -1.103 0.000 1.059 436 A CA -0.564 51.020 52.037 -0.756 0.000 0.698 436 A CB 1.477 20.279 19.000 -0.330 0.000 1.289 436 A HN 0.411 nan 8.150 nan 0.000 0.404 437 G N 0.065 108.410 108.800 -0.758 0.000 2.511 437 G HA2 0.307 4.269 3.960 0.004 0.000 0.217 437 G HA3 0.307 4.269 3.960 0.004 0.000 0.217 437 G C 0.289 174.971 174.900 -0.364 0.000 1.133 437 G CA 0.645 45.497 45.100 -0.413 0.000 0.792 437 G HN 0.583 nan 8.290 nan 0.000 0.539 438 I N 0.787 121.077 120.570 -0.466 0.000 2.448 438 I HA 0.331 4.503 4.170 0.004 0.000 0.281 438 I C -1.019 174.560 176.117 -0.897 0.000 1.027 438 I CA -0.700 60.194 61.300 -0.676 0.000 1.111 438 I CB 1.982 39.552 38.000 -0.715 0.000 1.236 438 I HN -0.179 nan 8.210 nan 0.000 0.452 439 C N 5.993 124.793 119.300 -0.833 0.000 2.369 439 C HA 0.547 5.010 4.460 0.004 0.000 0.322 439 C C -0.662 173.976 174.990 -0.586 0.000 1.258 439 C CA -0.534 58.118 59.018 -0.609 0.000 1.487 439 C CB 1.439 28.989 27.740 -0.317 0.000 2.165 439 C HN 0.677 nan 8.230 nan 0.000 0.483 440 W N 3.476 124.618 121.300 -0.263 0.000 2.632 440 W HA 0.633 5.295 4.660 0.004 0.000 0.328 440 W C -0.652 175.816 176.519 -0.085 0.000 1.044 440 W CA -0.969 56.254 57.345 -0.203 0.000 1.225 440 W CB 1.200 30.469 29.460 -0.319 0.000 1.396 440 W HN 0.428 nan 8.180 nan 0.000 0.499 441 I N 4.517 125.179 120.570 0.155 0.000 2.355 441 I HA 0.136 4.308 4.170 0.004 0.000 0.288 441 I C 0.121 176.298 176.117 0.099 0.000 0.999 441 I CA -0.509 60.844 61.300 0.088 0.000 1.163 441 I CB 0.902 38.889 38.000 -0.023 0.000 1.316 441 I HN 0.422 nan 8.210 nan 0.000 0.454 442 N N 2.189 120.955 118.700 0.111 0.000 2.741 442 N HA -0.178 4.564 4.740 0.004 0.000 0.250 442 N C -0.219 175.340 175.510 0.082 0.000 1.115 442 N CA 1.377 54.481 53.050 0.089 0.000 0.724 442 N CB -0.877 37.643 38.487 0.056 0.000 1.090 442 N HN 0.820 nan 8.380 nan 0.000 0.558 443 T N -2.052 112.566 114.554 0.106 0.000 2.700 443 T HA 0.540 4.892 4.350 0.004 0.000 0.307 443 T C -2.274 172.423 174.700 -0.006 0.000 1.580 443 T CA -0.567 61.548 62.100 0.025 0.000 0.992 443 T CB 1.377 70.234 68.868 -0.019 0.000 1.577 443 T HN 0.250 nan 8.240 nan 0.000 0.496 444 W N 0.404 121.396 121.300 -0.513 0.000 3.296 444 W HA 0.451 5.113 4.660 0.004 0.000 0.314 444 W C 0.672 176.450 176.519 -1.234 0.000 1.238 444 W CA 0.247 56.985 57.345 -1.010 0.000 1.193 444 W CB 1.226 30.358 29.460 -0.546 0.000 1.383 444 W HN 1.431 nan 8.180 nan 0.000 0.545 445 G N 2.162 109.712 108.800 -2.083 0.000 2.241 445 G HA2 -0.308 3.655 3.960 0.004 0.000 0.244 445 G HA3 -0.308 3.655 3.960 0.004 0.000 0.244 445 G C 0.160 174.812 174.900 -0.412 0.000 0.998 445 G CA 0.486 45.045 45.100 -0.902 0.000 0.621 445 G HN 0.514 nan 8.290 nan 0.000 0.519 446 E N 0.827 120.812 120.200 -0.360 0.000 2.344 446 E HA 0.531 4.883 4.350 0.004 0.000 0.270 446 E C -0.247 176.479 176.600 0.211 0.000 1.021 446 E CA 0.324 56.706 56.400 -0.030 0.000 0.887 446 E CB 0.567 30.250 29.700 -0.029 0.000 0.997 446 E HN 0.114 nan 8.360 nan 0.000 0.429 447 S N 5.507 121.304 115.700 0.163 0.000 2.204 447 S HA 0.312 4.784 4.470 0.004 0.000 0.147 447 S C -2.540 172.075 174.600 0.025 0.000 1.711 447 S CA -1.412 56.888 58.200 0.166 0.000 1.274 447 S CB 0.352 63.738 63.200 0.310 0.000 1.257 447 S HN 0.417 nan 8.310 nan 0.000 0.404 448 P HA 0.141 nan 4.420 nan 0.000 0.266 448 P C 0.809 177.922 177.300 -0.311 0.000 1.193 448 P CA 0.008 63.024 63.100 -0.139 0.000 0.770 448 P CB 0.537 32.163 31.700 -0.123 0.000 0.836 449 A N 2.861 125.429 122.820 -0.419 0.000 1.978 449 A HA -0.227 4.095 4.320 0.004 0.000 0.220 449 A C 1.712 178.689 177.584 -1.012 0.000 1.170 449 A CA 1.691 53.295 52.037 -0.722 0.000 0.636 449 A CB -0.916 17.651 19.000 -0.721 0.000 0.810 449 A HN 0.610 nan 8.150 nan 0.000 0.448 450 E N -1.194 118.507 120.200 -0.832 0.000 2.418 450 E HA 0.069 4.421 4.350 0.004 0.000 0.197 450 E C 0.821 177.250 176.600 -0.285 0.000 1.026 450 E CA 0.269 56.311 56.400 -0.597 0.000 0.862 450 E CB -0.084 29.430 29.700 -0.310 0.000 0.799 450 E HN 0.688 nan 8.360 nan 0.000 0.518 451 M N 2.163 121.600 119.600 -0.272 0.000 2.063 451 M HA 0.259 4.741 4.480 0.004 0.000 0.348 451 M C -2.555 173.644 176.300 -0.168 0.000 1.180 451 M CA -2.565 52.629 55.300 -0.178 0.000 1.059 451 M CB 0.976 33.482 32.600 -0.157 0.000 1.544 451 M HN -0.251 nan 8.290 nan 0.000 0.447 452 P HA 0.174 nan 4.420 nan 0.000 0.271 452 P C -1.296 175.946 177.300 -0.097 0.000 1.216 452 P CA -0.263 62.792 63.100 -0.075 0.000 0.771 452 P CB 0.589 32.277 31.700 -0.021 0.000 0.864 453 V N 0.507 120.372 119.914 -0.081 0.000 2.709 453 V HA 1.029 5.151 4.120 0.004 0.000 0.308 453 V C -0.029 176.053 176.094 -0.021 0.000 1.062 453 V CA -0.441 61.812 62.300 -0.078 0.000 0.901 453 V CB 1.563 33.348 31.823 -0.063 0.000 1.003 453 V HN 0.877 nan 8.190 nan 0.000 0.425 454 G N 1.696 110.480 108.800 -0.027 0.000 2.320 454 G HA2 0.640 4.603 3.960 0.004 0.000 0.296 454 G HA3 0.640 4.603 3.960 0.004 0.000 0.296 454 G C -0.518 174.399 174.900 0.029 0.000 1.306 454 G CA -0.169 44.943 45.100 0.019 0.000 0.836 454 G HN 1.381 nan 8.290 nan 0.000 0.517 455 G N -1.188 107.656 108.800 0.074 0.000 2.389 455 G HA2 0.573 4.536 3.960 0.004 0.000 0.328 455 G HA3 0.573 4.536 3.960 0.004 0.000 0.328 455 G C -0.877 174.169 174.900 0.245 0.000 1.133 455 G CA -0.411 44.760 45.100 0.118 0.000 0.891 455 G HN 0.417 nan 8.290 nan 0.000 0.485 456 Y N 1.123 121.421 120.300 -0.002 0.000 2.314 456 Y HA 0.268 4.820 4.550 0.004 0.000 0.334 456 Y C 1.576 177.490 175.900 0.023 0.000 1.266 456 Y CA -0.620 57.480 58.100 0.001 0.000 1.391 456 Y CB 0.817 39.276 38.460 -0.002 0.000 1.306 456 Y HN 0.848 nan 8.280 nan 0.000 0.558 457 K N -0.528 119.945 120.400 0.122 0.000 1.957 457 K HA -0.327 3.995 4.320 0.004 0.000 0.155 457 K C 0.801 177.437 176.600 0.061 0.000 1.342 457 K CA 1.736 58.067 56.287 0.073 0.000 0.382 457 K CB -0.961 31.597 32.500 0.096 0.000 0.664 457 K HN 0.726 nan 8.250 nan 0.000 0.799 458 Q N 0.601 120.436 119.800 0.058 0.000 2.365 458 Q HA 0.122 4.464 4.340 0.004 0.000 0.203 458 Q C 0.956 177.043 176.000 0.145 0.000 0.929 458 Q CA 0.457 56.289 55.803 0.048 0.000 0.948 458 Q CB 0.545 29.247 28.738 -0.060 0.000 1.043 458 Q HN 0.313 nan 8.270 nan 0.000 0.505 459 S N -0.094 115.718 115.700 0.186 0.000 2.548 459 S HA 0.249 4.722 4.470 0.004 0.000 0.215 459 S C 0.535 175.210 174.600 0.126 0.000 0.976 459 S CA 0.381 58.697 58.200 0.193 0.000 0.908 459 S CB 0.745 64.061 63.200 0.194 0.000 0.781 459 S HN 0.533 nan 8.310 nan 0.000 0.519 460 G N -0.053 108.810 108.800 0.105 0.000 2.322 460 G HA2 0.458 4.420 3.960 0.004 0.000 0.295 460 G HA3 0.458 4.420 3.960 0.004 0.000 0.295 460 G C -2.126 172.805 174.900 0.052 0.000 1.369 460 G CA -0.529 44.621 45.100 0.083 0.000 0.821 460 G HN 0.023 nan 8.290 nan 0.000 0.536 461 V N 0.645 120.581 119.914 0.037 0.000 2.686 461 V HA 0.836 4.958 4.120 0.004 0.000 0.306 461 V C 0.935 177.019 176.094 -0.017 0.000 1.065 461 V CA 0.947 63.247 62.300 0.001 0.000 0.894 461 V CB 0.892 32.712 31.823 -0.005 0.000 1.004 461 V HN 2.669 nan 8.190 nan 0.000 0.424 462 G N 5.063 113.827 108.800 -0.060 0.000 2.750 462 G HA2 -0.100 3.862 3.960 0.004 0.000 0.228 462 G HA3 -0.100 3.862 3.960 0.004 0.000 0.228 462 G C -0.738 174.123 174.900 -0.065 0.000 1.367 462 G CA -0.402 44.629 45.100 -0.115 0.000 0.871 462 G HN 0.708 nan 8.290 nan 0.000 0.560 463 R N -0.009 120.443 120.500 -0.079 0.000 2.836 463 R HA 0.671 5.013 4.340 0.004 0.000 0.269 463 R C -0.331 175.992 176.300 0.039 0.000 1.010 463 R CA -0.741 55.348 56.100 -0.019 0.000 0.930 463 R CB 1.584 31.863 30.300 -0.036 0.000 1.218 463 R HN 0.769 nan 8.270 nan 0.000 0.473 464 E N 1.098 121.335 120.200 0.063 0.000 2.320 464 E HA 0.407 4.760 4.350 0.004 0.000 0.264 464 E C -0.751 175.852 176.600 0.006 0.000 0.923 464 E CA -0.913 55.546 56.400 0.097 0.000 0.796 464 E CB 1.473 31.266 29.700 0.156 0.000 1.262 464 E HN 0.440 nan 8.360 nan 0.000 0.428 465 N N -0.242 118.473 118.700 0.026 0.000 5.901 465 N HA -0.179 4.564 4.740 0.004 0.000 0.387 465 N C -0.095 175.465 175.510 0.083 0.000 1.106 465 N CA 1.339 54.353 53.050 -0.060 0.000 2.316 465 N CB -0.860 37.364 38.487 -0.438 0.000 0.641 465 N HN 0.954 nan 8.380 nan 0.000 0.638 466 G N -1.536 107.273 108.800 0.014 0.000 2.787 466 G HA2 -0.173 3.789 3.960 0.004 0.000 0.685 466 G HA3 -0.173 3.789 3.960 0.004 0.000 0.685 466 G C 1.009 176.136 174.900 0.379 0.000 1.437 466 G CA -0.042 45.143 45.100 0.142 0.000 0.872 466 G HN 0.652 nan 8.290 nan 0.000 0.566 467 L N 0.111 121.522 121.223 0.312 0.000 2.043 467 L HA -0.169 4.173 4.340 0.004 0.000 0.212 467 L C 3.302 180.309 176.870 0.228 0.000 1.075 467 L CA 2.545 57.531 54.840 0.243 0.000 0.752 467 L CB -0.838 41.307 42.059 0.143 0.000 0.891 467 L HN 0.891 nan 8.230 nan 0.000 0.432 468 T N -1.146 113.530 114.554 0.204 0.000 2.699 468 T HA -0.221 4.131 4.350 0.004 0.000 0.268 468 T C 1.814 176.723 174.700 0.350 0.000 1.036 468 T CA 2.270 64.513 62.100 0.238 0.000 1.147 468 T CB -0.148 68.835 68.868 0.191 0.000 0.862 468 T HN 0.368 nan 8.240 nan 0.000 0.446 469 T N 2.040 116.772 114.554 0.297 0.000 2.821 469 T HA -0.012 4.341 4.350 0.004 0.000 0.267 469 T C 1.766 176.627 174.700 0.268 0.000 1.046 469 T CA 1.132 63.403 62.100 0.285 0.000 1.139 469 T CB -0.447 68.579 68.868 0.263 0.000 0.871 469 T HN 0.212 nan 8.240 nan 0.000 0.454 470 L N 1.685 123.013 121.223 0.176 0.000 2.012 470 L HA -0.052 4.290 4.340 0.004 0.000 0.210 470 L C 2.634 179.557 176.870 0.088 0.000 1.073 470 L CA 2.035 56.901 54.840 0.042 0.000 0.748 470 L CB -1.086 41.022 42.059 0.080 0.000 0.891 470 L HN 0.240 nan 8.230 nan 0.000 0.431 471 A N -1.435 121.425 122.820 0.067 0.000 1.940 471 A HA -0.271 4.051 4.320 0.004 0.000 0.219 471 A C 1.964 179.456 177.584 -0.154 0.000 1.176 471 A CA 1.940 53.938 52.037 -0.066 0.000 0.631 471 A CB -1.124 17.789 19.000 -0.145 0.000 0.814 471 A HN 0.716 nan 8.150 nan 0.000 0.446 472 H N -3.248 115.839 119.070 0.028 0.000 2.556 472 H HA 0.079 4.638 4.556 0.004 0.000 0.268 472 H C 0.201 175.448 175.328 -0.134 0.000 0.996 472 H CA 0.797 56.813 56.048 -0.054 0.000 1.157 472 H CB -0.167 29.543 29.762 -0.086 0.000 1.355 472 H HN 0.636 nan 8.280 nan 0.000 0.597 473 Y N 0.414 120.737 120.300 0.039 0.000 2.658 473 Y HA 0.150 4.702 4.550 0.003 0.000 0.276 473 Y C 0.642 176.544 175.900 0.004 0.000 1.167 473 Y CA -0.365 57.748 58.100 0.022 0.000 1.230 473 Y CB 0.452 38.909 38.460 -0.005 0.000 1.144 473 Y HN 0.067 nan 8.280 nan 0.000 0.529 474 T N -1.767 112.837 114.554 0.084 0.000 2.916 474 T HA 0.746 5.098 4.350 0.004 0.000 0.292 474 T C -0.567 174.133 174.700 0.001 0.000 1.055 474 T CA -1.202 60.922 62.100 0.040 0.000 1.009 474 T CB 2.233 71.109 68.868 0.014 0.000 1.118 474 T HN 0.234 nan 8.240 nan 0.000 0.497 475 R N 1.074 121.576 120.500 0.004 0.000 2.589 475 R HA 0.726 5.068 4.340 0.004 0.000 0.293 475 R C -0.684 175.608 176.300 -0.014 0.000 0.963 475 R CA -0.985 55.111 56.100 -0.008 0.000 0.905 475 R CB 1.108 31.410 30.300 0.004 0.000 1.144 475 R HN 0.588 nan 8.270 nan 0.000 0.459 476 I N 2.446 123.001 120.570 -0.024 0.000 2.352 476 I HA 0.143 4.315 4.170 0.004 0.000 0.290 476 I C 0.176 176.276 176.117 -0.027 0.000 1.036 476 I CA -0.189 61.096 61.300 -0.026 0.000 1.336 476 I CB 0.932 38.913 38.000 -0.032 0.000 1.407 476 I HN 0.537 nan 8.210 nan 0.000 0.497 477 K N 5.520 125.903 120.400 -0.029 0.000 2.235 477 K HA 0.434 4.756 4.320 0.004 0.000 0.266 477 K C -0.887 175.661 176.600 -0.087 0.000 0.980 477 K CA -0.379 55.878 56.287 -0.050 0.000 0.849 477 K CB 1.245 33.719 32.500 -0.044 0.000 1.098 477 K HN 0.505 nan 8.250 nan 0.000 0.445 478 S N 2.775 118.410 115.700 -0.108 0.000 2.429 478 S HA 0.341 4.814 4.470 0.004 0.000 0.302 478 S C -0.939 173.524 174.600 -0.228 0.000 1.115 478 S CA -0.698 57.413 58.200 -0.147 0.000 1.095 478 S CB 1.342 64.484 63.200 -0.097 0.000 0.987 478 S HN 0.414 nan 8.310 nan 0.000 0.474 479 V N 4.685 124.363 119.914 -0.393 0.000 2.350 479 V HA 0.379 4.501 4.120 0.004 0.000 0.285 479 V C 0.023 175.846 176.094 -0.453 0.000 1.014 479 V CA -0.706 61.288 62.300 -0.511 0.000 0.831 479 V CB 1.352 32.591 31.823 -0.973 0.000 1.000 479 V HN 0.825 nan 8.190 nan 0.000 0.433 480 Q N 3.864 123.490 119.800 -0.290 0.000 2.274 480 Q HA 0.545 4.887 4.340 0.004 0.000 0.256 480 Q C -1.234 174.602 176.000 -0.274 0.000 0.927 480 Q CA -0.416 55.239 55.803 -0.246 0.000 0.939 480 Q CB 1.725 30.378 28.738 -0.141 0.000 1.201 480 Q HN 0.611 nan 8.270 nan 0.000 0.426 481 V N 4.082 123.762 119.914 -0.390 0.000 2.328 481 V HA 0.217 4.339 4.120 0.004 0.000 0.278 481 V C -0.378 175.586 176.094 -0.216 0.000 1.021 481 V CA -0.709 61.373 62.300 -0.362 0.000 0.838 481 V CB 1.156 32.574 31.823 -0.676 0.000 0.999 481 V HN 0.751 nan 8.190 nan 0.000 0.447 482 E N 4.081 124.221 120.200 -0.099 0.000 2.115 482 E HA 0.431 4.783 4.350 0.004 0.000 0.282 482 E C 0.158 176.761 176.600 0.006 0.000 0.987 482 E CA -0.189 56.199 56.400 -0.020 0.000 0.797 482 E CB 1.247 30.961 29.700 0.023 0.000 1.086 482 E HN 0.594 nan 8.360 nan 0.000 0.397 483 L N 2.933 124.179 121.223 0.038 0.000 2.554 483 L HA 0.423 4.766 4.340 0.004 0.000 0.225 483 L C 1.237 178.140 176.870 0.054 0.000 1.104 483 L CA 0.136 55.010 54.840 0.058 0.000 0.866 483 L CB 0.245 42.361 42.059 0.096 0.000 1.047 483 L HN 0.515 nan 8.230 nan 0.000 0.468 484 G N -1.106 107.726 108.800 0.054 0.000 2.568 484 G HA2 0.264 4.226 3.960 0.004 0.000 0.293 484 G HA3 0.264 4.226 3.960 0.004 0.000 0.293 484 G C -0.908 174.029 174.900 0.061 0.000 1.347 484 G CA -0.557 44.573 45.100 0.050 0.000 1.039 484 G HN -0.085 nan 8.290 nan 0.000 0.523 485 D N -0.773 119.659 120.400 0.053 0.000 2.449 485 D HA 0.130 4.772 4.640 0.004 0.000 0.236 485 D C -0.775 175.586 176.300 0.102 0.000 1.149 485 D CA 0.665 54.705 54.000 0.066 0.000 0.878 485 D CB 0.846 41.666 40.800 0.033 0.000 1.198 485 D HN 0.212 nan 8.370 nan 0.000 0.446 486 Y N 0.466 120.764 120.300 -0.003 0.000 2.341 486 Y HA 0.462 5.014 4.550 0.003 0.000 0.337 486 Y C -0.606 175.290 175.900 -0.007 0.000 1.014 486 Y CA -0.993 57.104 58.100 -0.006 0.000 1.111 486 Y CB 1.117 39.575 38.460 -0.004 0.000 1.194 486 Y HN 0.386 nan 8.280 nan 0.000 0.462 487 A N 4.309 126.740 122.820 -0.648 0.000 2.317 487 A HA 0.639 4.962 4.320 0.004 0.000 0.327 487 A C -0.739 176.478 177.584 -0.611 0.000 1.178 487 A CA -0.497 51.263 52.037 -0.462 0.000 0.817 487 A CB 0.946 19.764 19.000 -0.305 0.000 1.189 487 A HN 0.655 nan 8.150 nan 0.000 0.489 488 S N 0.700 116.242 115.700 -0.263 0.000 2.532 488 S HA 0.465 4.937 4.470 0.004 0.000 0.301 488 S C 0.623 175.117 174.600 -0.177 0.000 1.083 488 S CA 0.025 58.144 58.200 -0.136 0.000 1.025 488 S CB 1.555 64.805 63.200 0.084 0.000 1.056 488 S HN 1.719 nan 8.310 nan 0.000 0.494 489 V N 2.314 122.033 119.914 -0.324 0.000 3.647 489 V HA 0.511 4.633 4.120 0.004 0.000 0.279 489 V C -0.202 175.641 176.094 -0.417 0.000 1.314 489 V CA 0.198 62.256 62.300 -0.403 0.000 1.125 489 V CB -1.014 30.507 31.823 -0.503 0.000 0.907 489 V HN 0.577 nan 8.190 nan 0.000 0.434 490 F N 0.000 119.948 119.950 -0.003 0.000 2.286 490 F HA 0.000 4.529 4.527 0.003 0.000 0.279 490 F CA 0.000 58.003 58.000 0.005 0.000 1.383 490 F CB 0.000 39.008 39.000 0.014 0.000 1.145 490 F HN 0.000 nan 8.300 nan 0.000 0.574