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_C 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 SGQVXTNGTR 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 0.000 177.497 177.584 -0.145 0.000 1.274 2 A CA 0.000 51.985 52.037 -0.086 0.000 0.836 2 A CB 0.000 18.969 19.000 -0.051 0.000 0.831 3 R N 0.145 120.476 120.500 -0.283 0.000 2.092 3 R HA 0.111 4.450 4.340 -0.001 0.000 0.231 3 R C -0.334 175.650 176.300 -0.526 0.000 1.119 3 R CA 1.662 57.456 56.100 -0.509 0.000 0.970 3 R CB -0.149 29.649 30.300 -0.838 0.000 0.864 3 R HN 0.556 nan 8.270 nan 0.000 0.440 4 F N 0.616 120.554 119.950 -0.020 0.000 2.594 4 F HA 0.369 4.896 4.527 -0.001 0.000 0.335 4 F C 0.107 175.883 175.800 -0.040 0.000 1.058 4 F CA -1.586 56.397 58.000 -0.029 0.000 0.981 4 F CB 1.051 40.034 39.000 -0.029 0.000 1.289 4 F HN -0.069 nan 8.300 nan 0.000 0.490 5 E N -0.659 119.642 120.200 0.169 0.000 2.392 5 E HA 0.136 4.486 4.350 -0.001 0.000 0.256 5 E C -0.639 175.974 176.600 0.021 0.000 1.145 5 E CA -0.673 55.757 56.400 0.051 0.000 0.929 5 E CB 0.380 30.082 29.700 0.004 0.000 0.998 5 E HN 0.503 nan 8.360 nan 0.000 0.442 6 E N 1.208 121.396 120.200 -0.021 0.000 2.465 6 E HA -0.125 4.225 4.350 -0.001 0.000 0.260 6 E C -0.564 175.987 176.600 -0.082 0.000 0.980 6 E CA -0.069 56.301 56.400 -0.050 0.000 0.927 6 E CB 0.431 30.100 29.700 -0.051 0.000 0.934 6 E HN 0.205 nan 8.360 nan 0.000 0.459 7 Q N 3.246 122.994 119.800 -0.086 0.000 2.256 7 Q HA 0.255 4.594 4.340 -0.001 0.000 0.254 7 Q C -0.630 175.343 176.000 -0.044 0.000 0.916 7 Q CA -0.180 55.570 55.803 -0.089 0.000 0.932 7 Q CB 1.630 30.342 28.738 -0.044 0.000 1.207 7 Q HN 0.332 nan 8.270 nan 0.000 0.426 8 K N 0.782 121.179 120.400 -0.005 0.000 2.288 8 K HA 0.554 4.874 4.320 -0.001 0.000 0.234 8 K C -0.158 176.605 176.600 0.272 0.000 1.037 8 K CA -0.652 55.702 56.287 0.112 0.000 0.914 8 K CB 0.844 33.411 32.500 0.111 0.000 1.197 8 K HN 0.371 nan 8.250 nan 0.000 0.471 9 L N 1.232 122.591 121.223 0.226 0.000 2.417 9 L HA 0.252 4.592 4.340 -0.001 0.000 0.268 9 L C -0.465 176.534 176.870 0.214 0.000 1.158 9 L CA -0.345 54.620 54.840 0.208 0.000 0.819 9 L CB 0.172 42.304 42.059 0.122 0.000 1.112 9 L HN 0.474 nan 8.230 nan 0.000 0.458 10 Y N 3.837 124.142 120.300 0.008 0.000 2.417 10 Y HA 0.575 5.124 4.550 -0.001 0.000 0.336 10 Y C -0.386 175.446 175.900 -0.114 0.000 0.961 10 Y CA -0.333 57.662 58.100 -0.174 0.000 1.215 10 Y CB 0.582 38.870 38.460 -0.287 0.000 1.120 10 Y HN 0.322 nan 8.280 nan 0.000 0.499 11 I N 4.566 124.952 120.570 -0.306 0.000 2.534 11 I HA 0.371 4.540 4.170 -0.001 0.000 0.288 11 I C 0.466 176.442 176.117 -0.234 0.000 1.077 11 I CA -0.981 60.220 61.300 -0.166 0.000 1.051 11 I CB 2.142 40.092 38.000 -0.083 0.000 1.234 11 I HN 0.791 nan 8.210 nan 0.000 0.425 12 G N 4.038 112.755 108.800 -0.139 0.000 2.295 12 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.287 12 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.287 12 G C 0.878 175.685 174.900 -0.156 0.000 1.055 12 G CA 0.561 45.596 45.100 -0.109 0.000 0.922 12 G HN 1.696 nan 8.290 nan 0.000 0.503 13 G N -1.321 107.369 108.800 -0.183 0.000 2.160 13 G HA2 0.052 4.012 3.960 -0.001 0.000 0.251 13 G HA3 0.052 4.012 3.960 -0.001 0.000 0.251 13 G C 0.266 174.967 174.900 -0.333 0.000 1.008 13 G CA 1.306 46.332 45.100 -0.123 0.000 0.724 13 G HN 2.301 nan 8.290 nan 0.000 0.514 14 R N -2.630 117.370 120.500 -0.832 0.000 2.728 14 R HA 0.555 4.895 4.340 -0.001 0.000 0.274 14 R C -0.965 174.795 176.300 -0.899 0.000 1.032 14 R CA -1.307 54.397 56.100 -0.661 0.000 0.866 14 R CB 0.633 30.789 30.300 -0.240 0.000 1.263 14 R HN 0.081 nan 8.270 nan 0.000 0.475 15 Y N 0.725 120.827 120.300 -0.330 0.000 2.346 15 Y HA 0.400 4.949 4.550 -0.001 0.000 0.330 15 Y C 0.775 176.608 175.900 -0.111 0.000 1.178 15 Y CA 0.258 58.272 58.100 -0.143 0.000 1.331 15 Y CB 1.503 39.966 38.460 0.005 0.000 1.253 15 Y HN 0.519 nan 8.280 nan 0.000 0.529 16 V N -0.484 119.485 119.914 0.092 0.000 3.078 16 V HA 0.569 4.689 4.120 -0.001 0.000 0.311 16 V C -0.710 175.423 176.094 0.066 0.000 1.138 16 V CA -1.391 60.935 62.300 0.043 0.000 1.007 16 V CB 2.127 33.942 31.823 -0.013 0.000 1.045 16 V HN 0.533 nan 8.190 nan 0.000 0.432 17 E N 1.869 122.095 120.200 0.043 0.000 2.316 17 E HA 0.551 4.900 4.350 -0.001 0.000 0.275 17 E C 0.470 177.096 176.600 0.044 0.000 1.029 17 E CA 0.248 56.672 56.400 0.040 0.000 0.871 17 E CB 1.619 31.334 29.700 0.026 0.000 1.022 17 E HN 1.110 nan 8.360 nan 0.000 0.418 18 A N 2.262 125.114 122.820 0.054 0.000 2.386 18 A HA 0.172 4.492 4.320 -0.001 0.000 0.246 18 A C 0.797 178.410 177.584 0.048 0.000 1.089 18 A CA 0.131 52.205 52.037 0.062 0.000 0.790 18 A CB 0.278 19.327 19.000 0.083 0.000 1.042 18 A HN 0.605 nan 8.150 nan 0.000 0.497 19 S N -0.957 114.773 115.700 0.049 0.000 2.651 19 S HA 0.154 4.624 4.470 -0.001 0.000 0.246 19 S C 0.852 175.478 174.600 0.043 0.000 1.039 19 S CA 0.359 58.580 58.200 0.035 0.000 1.013 19 S CB -0.274 62.937 63.200 0.019 0.000 0.861 19 S HN 1.170 nan 8.310 nan 0.000 0.485 20 S N 0.543 116.283 115.700 0.067 0.000 2.470 20 S HA 0.437 4.907 4.470 -0.001 0.000 0.222 20 S C 1.809 176.450 174.600 0.069 0.000 1.024 20 S CA 0.569 58.819 58.200 0.082 0.000 0.931 20 S CB -0.643 62.633 63.200 0.127 0.000 0.791 20 S HN 1.528 nan 8.310 nan 0.000 0.513 21 G N 0.924 109.758 108.800 0.056 0.000 2.179 21 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.260 21 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.260 21 G C 0.127 175.058 174.900 0.052 0.000 0.977 21 G CA 0.108 45.236 45.100 0.046 0.000 0.641 21 G HN 1.383 nan 8.290 nan 0.000 0.533 22 A N -0.591 122.271 122.820 0.070 0.000 2.413 22 A HA 1.017 5.337 4.320 -0.001 0.000 0.307 22 A C 0.178 177.810 177.584 0.080 0.000 1.087 22 A CA 0.647 52.732 52.037 0.080 0.000 0.750 22 A CB 1.696 20.760 19.000 0.107 0.000 1.296 22 A HN 1.751 nan 8.150 nan 0.000 0.423 23 T N -1.363 113.231 114.554 0.066 0.000 2.888 23 T HA 0.863 5.213 4.350 -0.001 0.000 0.288 23 T C -0.394 174.377 174.700 0.117 0.000 1.063 23 T CA -0.520 61.588 62.100 0.013 0.000 1.010 23 T CB 1.173 70.001 68.868 -0.066 0.000 1.214 23 T HN 1.323 nan 8.240 nan 0.000 0.533 24 F N -1.164 118.809 119.950 0.039 0.000 2.679 24 F HA 0.893 5.419 4.527 -0.001 0.000 0.341 24 F C -0.567 175.254 175.800 0.035 0.000 1.095 24 F CA -1.381 56.639 58.000 0.033 0.000 1.004 24 F CB 1.122 40.141 39.000 0.032 0.000 1.388 24 F HN 0.585 nan 8.300 nan 0.000 0.505 25 E N 0.213 120.545 120.200 0.221 0.000 2.183 25 E HA 0.358 4.707 4.350 -0.001 0.000 0.271 25 E C -1.190 175.561 176.600 0.253 0.000 0.919 25 E CA -1.052 55.422 56.400 0.122 0.000 0.781 25 E CB 2.097 31.846 29.700 0.083 0.000 1.140 25 E HN 0.682 nan 8.360 nan 0.000 0.402 26 T N 3.136 117.793 114.554 0.172 0.000 2.795 26 T HA 0.415 4.765 4.350 -0.001 0.000 0.282 26 T C -0.501 174.269 174.700 0.115 0.000 0.980 26 T CA -0.693 61.517 62.100 0.184 0.000 1.012 26 T CB 0.266 69.258 68.868 0.206 0.000 0.936 26 T HN 0.214 nan 8.240 nan 0.000 0.457 27 I N 4.823 125.457 120.570 0.107 0.000 2.493 27 I HA 0.374 4.544 4.170 -0.001 0.000 0.298 27 I C 0.415 176.583 176.117 0.085 0.000 0.998 27 I CA -1.199 60.156 61.300 0.092 0.000 1.137 27 I CB 1.518 39.590 38.000 0.119 0.000 1.310 27 I HN 0.645 nan 8.210 nan 0.000 0.445 28 N N 8.305 127.048 118.700 0.072 0.000 2.411 28 N HA 0.203 4.943 4.740 -0.001 0.000 0.259 28 N C -1.831 173.720 175.510 0.070 0.000 1.103 28 N CA -1.706 51.376 53.050 0.053 0.000 0.954 28 N CB 1.346 39.854 38.487 0.036 0.000 1.085 28 N HN 0.273 nan 8.380 nan 0.000 0.485 29 P HA 0.009 nan 4.420 nan 0.000 0.233 29 P C 0.592 177.774 177.300 -0.197 0.000 1.167 29 P CA 0.447 63.456 63.100 -0.152 0.000 0.770 29 P CB 0.197 31.706 31.700 -0.319 0.000 0.837 30 A N 1.250 124.017 122.820 -0.089 0.000 2.066 30 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 30 A C 1.539 179.219 177.584 0.161 0.000 1.157 30 A CA 1.712 53.752 52.037 0.004 0.000 0.670 30 A CB -0.827 18.210 19.000 0.061 0.000 0.804 30 A HN 0.396 nan 8.150 nan 0.000 0.453 31 N N -4.722 114.075 118.700 0.161 0.000 1.938 31 N HA 0.188 4.928 4.740 -0.001 0.000 0.225 31 N C 0.798 176.403 175.510 0.159 0.000 1.400 31 N CA 1.058 54.207 53.050 0.166 0.000 0.772 31 N CB -0.566 37.980 38.487 0.097 0.000 1.124 31 N HN 0.743 nan 8.380 nan 0.000 0.513 32 G N 0.656 109.591 108.800 0.224 0.000 2.189 32 G HA2 -0.392 3.568 3.960 -0.001 0.000 0.267 32 G HA3 -0.392 3.568 3.960 -0.001 0.000 0.267 32 G C -0.207 174.717 174.900 0.040 0.000 0.975 32 G CA 0.581 45.754 45.100 0.123 0.000 0.644 32 G HN 0.818 nan 8.290 nan 0.000 0.537 33 E N 0.574 120.796 120.200 0.038 0.000 2.384 33 E HA 0.351 4.701 4.350 -0.001 0.000 0.266 33 E C 0.511 177.106 176.600 -0.008 0.000 1.012 33 E CA -0.508 55.889 56.400 -0.005 0.000 0.901 33 E CB 0.718 30.404 29.700 -0.023 0.000 0.967 33 E HN 0.171 nan 8.360 nan 0.000 0.435 34 V N 6.919 126.816 119.914 -0.028 0.000 2.479 34 V HA -0.047 4.072 4.120 -0.001 0.000 0.281 34 V C 1.339 177.395 176.094 -0.064 0.000 1.031 34 V CA 0.239 62.525 62.300 -0.024 0.000 1.038 34 V CB 0.585 32.392 31.823 -0.027 0.000 0.981 34 V HN 0.762 nan 8.190 nan 0.000 0.478 35 L N 4.108 125.314 121.223 -0.028 0.000 2.102 35 L HA 0.402 4.741 4.340 -0.001 0.000 0.202 35 L C 0.965 177.837 176.870 0.004 0.000 1.076 35 L CA 1.267 56.071 54.840 -0.060 0.000 0.761 35 L CB -0.105 42.019 42.059 0.107 0.000 0.921 35 L HN 0.780 nan 8.230 nan 0.000 0.444 36 A N -0.823 122.037 122.820 0.066 0.000 2.605 36 A HA 0.445 4.765 4.320 -0.001 0.000 0.294 36 A C -1.197 176.378 177.584 -0.016 0.000 1.062 36 A CA -0.708 51.369 52.037 0.066 0.000 0.682 36 A CB 1.053 20.147 19.000 0.157 0.000 1.278 36 A HN -0.058 nan 8.150 nan 0.000 0.410 37 K N 0.541 120.909 120.400 -0.053 0.000 2.298 37 K HA 0.555 4.875 4.320 -0.001 0.000 0.280 37 K C -0.970 175.495 176.600 -0.225 0.000 1.032 37 K CA -0.153 56.056 56.287 -0.130 0.000 0.958 37 K CB 1.260 33.709 32.500 -0.085 0.000 0.978 37 K HN 0.425 nan 8.250 nan 0.000 0.472 38 V N 3.635 123.260 119.914 -0.481 0.000 2.577 38 V HA 0.146 4.266 4.120 -0.001 0.000 0.303 38 V C -0.364 175.397 176.094 -0.556 0.000 1.042 38 V CA -1.062 60.880 62.300 -0.597 0.000 0.872 38 V CB 1.725 32.997 31.823 -0.918 0.000 0.998 38 V HN 0.752 nan 8.190 nan 0.000 0.423 39 Q N 3.227 122.903 119.800 -0.207 0.000 2.392 39 Q HA 0.366 4.705 4.340 -0.001 0.000 0.262 39 Q C -0.318 175.736 176.000 0.090 0.000 1.003 39 Q CA -0.095 55.681 55.803 -0.045 0.000 0.888 39 Q CB 1.183 29.933 28.738 0.020 0.000 1.260 39 Q HN 0.524 nan 8.270 nan 0.000 0.435 40 R N 0.879 121.480 120.500 0.169 0.000 2.254 40 R HA 0.397 4.737 4.340 -0.001 0.000 0.318 40 R C -0.478 175.949 176.300 0.212 0.000 1.031 40 R CA -0.429 55.828 56.100 0.262 0.000 0.905 40 R CB 1.060 31.517 30.300 0.261 0.000 1.050 40 R HN 0.601 nan 8.270 nan 0.000 0.456 41 A N 2.470 125.426 122.820 0.227 0.000 2.477 41 A HA 0.164 4.484 4.320 -0.001 0.000 0.246 41 A C 0.619 178.390 177.584 0.312 0.000 1.078 41 A CA -0.221 51.951 52.037 0.224 0.000 0.770 41 A CB 0.313 19.443 19.000 0.217 0.000 1.011 41 A HN 0.831 nan 8.150 nan 0.000 0.494 42 S N 2.437 118.266 115.700 0.216 0.000 2.686 42 S HA 0.352 4.822 4.470 -0.001 0.000 0.270 42 S C 1.146 175.748 174.600 0.002 0.000 1.194 42 S CA -0.319 57.973 58.200 0.152 0.000 0.990 42 S CB 0.707 63.931 63.200 0.039 0.000 1.029 42 S HN 0.711 nan 8.310 nan 0.000 0.560 43 R N 0.360 120.594 120.500 -0.444 0.000 2.075 43 R HA -0.065 4.274 4.340 -0.001 0.000 0.232 43 R C 2.481 178.620 176.300 -0.267 0.000 1.126 43 R CA 1.583 57.256 56.100 -0.713 0.000 0.963 43 R CB -0.428 29.286 30.300 -0.977 0.000 0.858 43 R HN 0.936 nan 8.270 nan 0.000 0.435 44 E N 0.680 120.775 120.200 -0.175 0.000 2.153 44 E HA -0.201 4.149 4.350 -0.001 0.000 0.194 44 E C 0.788 177.373 176.600 -0.026 0.000 0.988 44 E CA 1.426 57.779 56.400 -0.079 0.000 0.811 44 E CB 0.062 29.723 29.700 -0.064 0.000 0.746 44 E HN 0.245 nan 8.360 nan 0.000 0.466 45 D N 0.492 120.892 120.400 -0.000 0.000 2.144 45 D HA -0.123 4.517 4.640 -0.001 0.000 0.200 45 D C 2.117 178.444 176.300 0.045 0.000 0.978 45 D CA 0.954 54.975 54.000 0.036 0.000 0.833 45 D CB -0.049 40.796 40.800 0.074 0.000 0.961 45 D HN 0.145 nan 8.370 nan 0.000 0.470 46 V N 0.995 120.949 119.914 0.068 0.000 2.343 46 V HA -0.221 3.899 4.120 -0.001 0.000 0.247 46 V C 2.469 178.570 176.094 0.012 0.000 1.051 46 V CA 1.565 63.910 62.300 0.076 0.000 1.036 46 V CB -0.423 31.504 31.823 0.173 0.000 0.654 46 V HN 0.068 nan 8.190 nan 0.000 0.451 47 E N 0.650 120.868 120.200 0.030 0.000 2.085 47 E HA -0.250 4.100 4.350 -0.001 0.000 0.194 47 E C 2.368 178.961 176.600 -0.012 0.000 0.994 47 E CA 1.695 58.114 56.400 0.033 0.000 0.801 47 E CB -0.335 29.396 29.700 0.052 0.000 0.743 47 E HN 0.454 nan 8.360 nan 0.000 0.453 48 R N -0.323 120.172 120.500 -0.008 0.000 2.073 48 R HA -0.110 4.229 4.340 -0.001 0.000 0.234 48 R C 2.211 178.494 176.300 -0.027 0.000 1.134 48 R CA 1.420 57.511 56.100 -0.014 0.000 0.952 48 R CB -0.453 29.843 30.300 -0.008 0.000 0.850 48 R HN 0.239 nan 8.270 nan 0.000 0.433 49 A N 0.402 123.206 122.820 -0.027 0.000 1.940 49 A HA -0.134 4.186 4.320 -0.001 0.000 0.219 49 A C 2.280 179.823 177.584 -0.067 0.000 1.176 49 A CA 1.771 53.784 52.037 -0.039 0.000 0.631 49 A CB -0.573 18.413 19.000 -0.023 0.000 0.814 49 A HN 0.253 nan 8.150 nan 0.000 0.446 50 V N -0.215 119.631 119.914 -0.113 0.000 2.307 50 V HA -0.236 3.884 4.120 -0.001 0.000 0.245 50 V C 2.762 178.800 176.094 -0.094 0.000 1.045 50 V CA 2.006 64.201 62.300 -0.175 0.000 1.024 50 V CB -0.700 30.855 31.823 -0.447 0.000 0.651 50 V HN 0.540 nan 8.190 nan 0.000 0.449 51 Q N -0.224 119.540 119.800 -0.060 0.000 2.079 51 Q HA -0.158 4.182 4.340 -0.001 0.000 0.200 51 Q C 2.597 178.585 176.000 -0.020 0.000 0.974 51 Q CA 1.967 57.755 55.803 -0.025 0.000 0.840 51 Q CB -0.918 27.814 28.738 -0.009 0.000 0.898 51 Q HN 0.639 nan 8.270 nan 0.000 0.430 52 S N 0.709 116.393 115.700 -0.027 0.000 2.359 52 S HA -0.217 4.253 4.470 -0.001 0.000 0.223 52 S C 2.019 176.607 174.600 -0.021 0.000 1.039 52 S CA 1.728 59.913 58.200 -0.025 0.000 1.042 52 S CB -0.206 62.973 63.200 -0.035 0.000 0.915 52 S HN 0.419 nan 8.310 nan 0.000 0.439 53 A N 0.661 123.464 122.820 -0.029 0.000 1.933 53 A HA 0.018 4.338 4.320 -0.001 0.000 0.218 53 A C 2.409 179.992 177.584 -0.002 0.000 1.175 53 A CA 1.741 53.766 52.037 -0.021 0.000 0.628 53 A CB -1.078 17.905 19.000 -0.028 0.000 0.814 53 A HN 0.490 nan 8.150 nan 0.000 0.444 54 V N 0.238 120.151 119.914 -0.003 0.000 2.287 54 V HA -0.230 3.890 4.120 -0.001 0.000 0.248 54 V C 2.639 178.748 176.094 0.025 0.000 1.053 54 V CA 2.265 64.574 62.300 0.015 0.000 1.027 54 V CB -0.650 31.180 31.823 0.012 0.000 0.646 54 V HN 0.513 nan 8.190 nan 0.000 0.447 55 E N 0.498 120.709 120.200 0.017 0.000 2.072 55 E HA -0.106 4.243 4.350 -0.001 0.000 0.191 55 E C 2.351 178.971 176.600 0.034 0.000 0.985 55 E CA 1.425 57.839 56.400 0.023 0.000 0.801 55 E CB -0.893 28.816 29.700 0.014 0.000 0.750 55 E HN 0.587 nan 8.360 nan 0.000 0.452 56 G N 1.300 110.114 108.800 0.024 0.000 2.408 56 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.217 56 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.217 56 G C 1.497 176.440 174.900 0.073 0.000 1.150 56 G CA 0.534 45.652 45.100 0.030 0.000 0.776 56 G HN 0.174 nan 8.290 nan 0.000 0.542 57 Q N 0.739 120.581 119.800 0.071 0.000 2.096 57 Q HA -0.143 4.196 4.340 -0.001 0.000 0.204 57 Q C 2.436 178.532 176.000 0.160 0.000 0.982 57 Q CA 1.620 57.503 55.803 0.133 0.000 0.850 57 Q CB -0.216 28.582 28.738 0.100 0.000 0.901 57 Q HN 0.493 nan 8.270 nan 0.000 0.422 58 K N -0.576 119.887 120.400 0.104 0.000 2.026 58 K HA -0.110 4.210 4.320 -0.001 0.000 0.208 58 K C 2.203 178.862 176.600 0.098 0.000 1.048 58 K CA 1.494 57.832 56.287 0.085 0.000 0.929 58 K CB -0.099 32.435 32.500 0.057 0.000 0.713 58 K HN 0.036 nan 8.250 nan 0.000 0.439 59 V N 0.746 120.729 119.914 0.114 0.000 2.343 59 V HA -0.258 3.862 4.120 -0.001 0.000 0.247 59 V C 1.934 178.144 176.094 0.192 0.000 1.051 59 V CA 1.588 63.963 62.300 0.125 0.000 1.036 59 V CB -0.511 31.378 31.823 0.111 0.000 0.654 59 V HN 0.541 nan 8.190 nan 0.000 0.451 60 W N 0.615 121.913 121.300 -0.005 0.000 2.381 60 W HA -0.174 4.485 4.660 -0.001 0.000 0.301 60 W C 2.382 178.894 176.519 -0.012 0.000 1.205 60 W CA 1.339 58.676 57.345 -0.013 0.000 1.285 60 W CB -0.021 29.427 29.460 -0.021 0.000 1.133 60 W HN 0.294 nan 8.180 nan 0.000 0.521 61 A N 0.550 123.415 122.820 0.075 0.000 2.015 61 A HA 0.000 4.320 4.320 -0.001 0.000 0.219 61 A C 1.986 179.530 177.584 -0.068 0.000 1.163 61 A CA 1.794 53.799 52.037 -0.054 0.000 0.646 61 A CB -1.041 17.973 19.000 0.024 0.000 0.806 61 A HN 0.287 nan 8.150 nan 0.000 0.448 62 A N -0.717 122.092 122.820 -0.019 0.000 2.067 62 A HA 0.248 4.568 4.320 -0.001 0.000 0.217 62 A C 1.343 178.897 177.584 -0.050 0.000 1.156 62 A CA 0.351 52.376 52.037 -0.020 0.000 0.683 62 A CB -0.423 18.584 19.000 0.011 0.000 0.808 62 A HN 0.555 nan 8.150 nan 0.000 0.455 63 M N 0.625 120.174 119.600 -0.085 0.000 2.184 63 M HA 0.124 4.603 4.480 -0.001 0.000 0.296 63 M C 1.094 177.304 176.300 -0.150 0.000 1.165 63 M CA 0.336 55.565 55.300 -0.119 0.000 1.175 63 M CB 0.221 32.712 32.600 -0.181 0.000 1.392 63 M HN 0.446 nan 8.290 nan 0.000 0.457 64 T N -1.064 113.413 114.554 -0.128 0.000 2.828 64 T HA 0.416 4.765 4.350 -0.001 0.000 0.290 64 T C 1.048 175.643 174.700 -0.175 0.000 1.019 64 T CA -0.423 61.603 62.100 -0.122 0.000 1.031 64 T CB 1.048 69.866 68.868 -0.083 0.000 1.001 64 T HN 0.673 nan 8.240 nan 0.000 0.531 65 A N 1.445 124.175 122.820 -0.150 0.000 1.908 65 A HA -0.083 4.237 4.320 -0.001 0.000 0.218 65 A C 2.252 179.750 177.584 -0.144 0.000 1.181 65 A CA 2.068 54.008 52.037 -0.161 0.000 0.627 65 A CB -0.973 17.961 19.000 -0.111 0.000 0.818 65 A HN 0.838 nan 8.150 nan 0.000 0.445 66 M N -0.369 119.171 119.600 -0.101 0.000 2.200 66 M HA -0.101 4.379 4.480 -0.001 0.000 0.265 66 M C 2.077 178.333 176.300 -0.073 0.000 1.066 66 M CA 1.634 56.890 55.300 -0.073 0.000 1.127 66 M CB -0.703 31.867 32.600 -0.049 0.000 1.379 66 M HN 0.536 nan 8.290 nan 0.000 0.420 67 Q N -0.574 119.172 119.800 -0.090 0.000 2.077 67 Q HA -0.231 4.109 4.340 -0.001 0.000 0.206 67 Q C 2.209 178.142 176.000 -0.111 0.000 0.989 67 Q CA 2.077 57.832 55.803 -0.080 0.000 0.853 67 Q CB -0.252 28.437 28.738 -0.082 0.000 0.907 67 Q HN 0.518 nan 8.270 nan 0.000 0.418 68 R N -0.200 120.130 120.500 -0.284 0.000 2.083 68 R HA -0.137 4.202 4.340 -0.001 0.000 0.237 68 R C 2.613 178.867 176.300 -0.076 0.000 1.137 68 R CA 1.433 57.267 56.100 -0.444 0.000 0.951 68 R CB -0.598 29.182 30.300 -0.867 0.000 0.851 68 R HN 0.164 nan 8.270 nan 0.000 0.434 69 S N 0.652 116.306 115.700 -0.076 0.000 2.365 69 S HA -0.208 4.261 4.470 -0.001 0.000 0.225 69 S C 1.959 176.581 174.600 0.037 0.000 1.039 69 S CA 1.530 59.727 58.200 -0.004 0.000 1.033 69 S CB -0.052 63.131 63.200 -0.030 0.000 0.887 69 S HN 0.267 nan 8.310 nan 0.000 0.447 70 R N 0.233 120.749 120.500 0.027 0.000 2.083 70 R HA 0.009 4.349 4.340 -0.001 0.000 0.237 70 R C 2.368 178.717 176.300 0.082 0.000 1.137 70 R CA 1.900 58.028 56.100 0.045 0.000 0.951 70 R CB -0.540 29.778 30.300 0.030 0.000 0.851 70 R HN 0.475 nan 8.270 nan 0.000 0.434 71 I N 0.724 121.368 120.570 0.123 0.000 2.226 71 I HA -0.296 3.874 4.170 -0.001 0.000 0.245 71 I C 2.125 178.353 176.117 0.185 0.000 1.100 71 I CA 1.329 62.734 61.300 0.175 0.000 1.374 71 I CB -0.236 37.937 38.000 0.288 0.000 1.057 71 I HN 0.148 nan 8.210 nan 0.000 0.413 72 L N -0.066 121.283 121.223 0.211 0.000 2.083 72 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 72 L C 2.692 179.645 176.870 0.138 0.000 1.083 72 L CA 1.280 56.237 54.840 0.195 0.000 0.752 72 L CB -0.551 41.628 42.059 0.201 0.000 0.899 72 L HN 0.153 nan 8.230 nan 0.000 0.433 73 R N -0.329 120.232 120.500 0.101 0.000 2.092 73 R HA -0.166 4.173 4.340 -0.001 0.000 0.231 73 R C 2.399 178.737 176.300 0.063 0.000 1.119 73 R CA 1.015 57.158 56.100 0.071 0.000 0.970 73 R CB -0.235 30.096 30.300 0.051 0.000 0.864 73 R HN 0.087 nan 8.270 nan 0.000 0.440 74 R N 0.949 121.491 120.500 0.070 0.000 2.081 74 R HA -0.051 4.289 4.340 -0.001 0.000 0.235 74 R C 1.882 178.211 176.300 0.048 0.000 1.131 74 R CA 1.874 58.009 56.100 0.057 0.000 0.960 74 R CB -0.712 29.626 30.300 0.063 0.000 0.856 74 R HN 0.242 nan 8.270 nan 0.000 0.436 75 A N -0.268 122.595 122.820 0.071 0.000 1.902 75 A HA -0.107 4.212 4.320 -0.001 0.000 0.217 75 A C 2.348 179.923 177.584 -0.015 0.000 1.181 75 A CA 1.778 53.832 52.037 0.028 0.000 0.623 75 A CB -0.776 18.287 19.000 0.105 0.000 0.818 75 A HN 0.182 nan 8.150 nan 0.000 0.443 76 V N 0.789 120.717 119.914 0.023 0.000 2.287 76 V HA -0.293 3.827 4.120 -0.001 0.000 0.248 76 V C 2.227 178.323 176.094 0.005 0.000 1.053 76 V CA 2.416 64.725 62.300 0.015 0.000 1.027 76 V CB -0.874 30.974 31.823 0.040 0.000 0.646 76 V HN 0.521 nan 8.190 nan 0.000 0.447 77 D N -0.009 120.398 120.400 0.013 0.000 2.123 77 D HA -0.143 4.497 4.640 -0.001 0.000 0.196 77 D C 2.045 178.344 176.300 -0.002 0.000 0.992 77 D CA 1.472 55.478 54.000 0.010 0.000 0.833 77 D CB -0.262 40.548 40.800 0.016 0.000 0.954 77 D HN 0.429 nan 8.370 nan 0.000 0.455 78 I N 0.430 120.994 120.570 -0.011 0.000 2.226 78 I HA -0.232 3.937 4.170 -0.001 0.000 0.245 78 I C 2.398 178.491 176.117 -0.041 0.000 1.100 78 I CA 0.602 61.887 61.300 -0.025 0.000 1.374 78 I CB -0.229 37.751 38.000 -0.034 0.000 1.057 78 I HN -0.034 nan 8.210 nan 0.000 0.413 79 L N 0.252 121.441 121.223 -0.057 0.000 2.042 79 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 79 L C 2.854 179.705 176.870 -0.030 0.000 1.076 79 L CA 1.304 56.107 54.840 -0.061 0.000 0.749 79 L CB -0.653 41.359 42.059 -0.078 0.000 0.893 79 L HN 0.206 nan 8.230 nan 0.000 0.432 80 R N 0.282 120.774 120.500 -0.014 0.000 2.073 80 R HA -0.149 4.190 4.340 -0.001 0.000 0.234 80 R C 2.060 178.358 176.300 -0.003 0.000 1.134 80 R CA 1.338 57.437 56.100 -0.002 0.000 0.952 80 R CB -0.740 29.564 30.300 0.007 0.000 0.850 80 R HN 0.528 nan 8.270 nan 0.000 0.433 81 E N 0.470 120.667 120.200 -0.005 0.000 2.085 81 E HA -0.173 4.176 4.350 -0.001 0.000 0.194 81 E C 1.700 178.295 176.600 -0.008 0.000 0.994 81 E CA 1.142 57.539 56.400 -0.004 0.000 0.801 81 E CB -0.083 29.614 29.700 -0.005 0.000 0.743 81 E HN 0.287 nan 8.360 nan 0.000 0.453 82 R N 0.595 121.085 120.500 -0.017 0.000 2.393 82 R HA 0.099 4.439 4.340 -0.001 0.000 0.244 82 R C 1.784 178.071 176.300 -0.021 0.000 0.920 82 R CA -0.215 55.872 56.100 -0.021 0.000 1.076 82 R CB -0.040 30.239 30.300 -0.034 0.000 1.119 82 R HN 0.179 nan 8.270 nan 0.000 0.524 83 N N 1.908 120.600 118.700 -0.015 0.000 2.064 83 N HA -0.255 4.484 4.740 -0.001 0.000 0.200 83 N C 0.508 176.015 175.510 -0.006 0.000 1.028 83 N CA 2.162 55.207 53.050 -0.008 0.000 0.880 83 N CB 0.098 38.587 38.487 0.003 0.000 1.062 83 N HN 0.156 nan 8.380 nan 0.000 0.454 84 D N 0.093 120.492 120.400 -0.001 0.000 2.183 84 D HA -0.107 4.533 4.640 -0.001 0.000 0.203 84 D C 1.831 178.131 176.300 -0.000 0.000 0.969 84 D CA 0.653 54.654 54.000 0.002 0.000 0.842 84 D CB -0.322 40.481 40.800 0.006 0.000 0.957 84 D HN 0.590 nan 8.370 nan 0.000 0.484 85 E N 0.726 120.923 120.200 -0.005 0.000 2.031 85 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 85 E C 2.135 178.725 176.600 -0.016 0.000 0.994 85 E CA 0.738 57.133 56.400 -0.008 0.000 0.800 85 E CB -0.235 29.457 29.700 -0.013 0.000 0.752 85 E HN 0.170 nan 8.360 nan 0.000 0.447 86 L N 0.657 121.865 121.223 -0.025 0.000 2.079 86 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 86 L C 2.748 179.604 176.870 -0.023 0.000 1.081 86 L CA 1.201 56.022 54.840 -0.032 0.000 0.752 86 L CB -0.530 41.504 42.059 -0.042 0.000 0.896 86 L HN 0.300 nan 8.230 nan 0.000 0.433 87 A N -0.150 122.661 122.820 -0.016 0.000 1.930 87 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 87 A C 2.522 180.100 177.584 -0.010 0.000 1.175 87 A CA 1.617 53.645 52.037 -0.014 0.000 0.627 87 A CB -0.619 18.377 19.000 -0.007 0.000 0.815 87 A HN 0.402 nan 8.150 nan 0.000 0.443 88 A N -0.693 122.127 122.820 0.000 0.000 1.930 88 A HA 0.034 4.353 4.320 -0.001 0.000 0.217 88 A C 2.089 179.690 177.584 0.028 0.000 1.175 88 A CA 1.618 53.664 52.037 0.015 0.000 0.627 88 A CB -0.504 18.510 19.000 0.024 0.000 0.815 88 A HN 0.573 nan 8.150 nan 0.000 0.443 89 L N -0.118 121.116 121.223 0.018 0.000 2.056 89 L HA -0.081 4.258 4.340 -0.001 0.000 0.207 89 L C 2.216 179.102 176.870 0.027 0.000 1.078 89 L CA 2.598 57.455 54.840 0.028 0.000 0.749 89 L CB -0.693 41.352 42.059 -0.024 0.000 0.901 89 L HN 0.479 nan 8.230 nan 0.000 0.433 90 E N -1.098 119.102 120.200 0.000 0.000 2.085 90 E HA -0.204 4.146 4.350 -0.001 0.000 0.194 90 E C 2.022 178.608 176.600 -0.023 0.000 0.994 90 E CA 1.926 58.318 56.400 -0.013 0.000 0.801 90 E CB -0.264 29.414 29.700 -0.038 0.000 0.743 90 E HN 0.493 nan 8.360 nan 0.000 0.453 91 T N 0.528 115.069 114.554 -0.023 0.000 2.746 91 T HA -0.124 4.226 4.350 -0.001 0.000 0.267 91 T C 1.763 176.456 174.700 -0.011 0.000 1.039 91 T CA 1.294 63.375 62.100 -0.033 0.000 1.142 91 T CB -0.241 68.612 68.868 -0.025 0.000 0.866 91 T HN 0.128 nan 8.240 nan 0.000 0.444 92 L N 0.705 121.946 121.223 0.030 0.000 2.012 92 L HA -0.124 4.215 4.340 -0.001 0.000 0.210 92 L C 2.542 179.442 176.870 0.051 0.000 1.073 92 L CA 1.321 56.195 54.840 0.056 0.000 0.748 92 L CB -0.433 41.702 42.059 0.127 0.000 0.891 92 L HN 0.163 nan 8.230 nan 0.000 0.431 93 D N -1.041 119.394 120.400 0.059 0.000 2.234 93 D HA -0.114 4.526 4.640 -0.001 0.000 0.205 93 D C 2.027 178.341 176.300 0.024 0.000 0.962 93 D CA 1.582 55.621 54.000 0.064 0.000 0.855 93 D CB 0.276 41.126 40.800 0.083 0.000 0.951 93 D HN 0.377 nan 8.370 nan 0.000 0.500 94 T N -4.986 109.560 114.554 -0.015 0.000 2.969 94 T HA 0.347 4.696 4.350 -0.001 0.000 0.250 94 T C 1.683 176.314 174.700 -0.114 0.000 1.021 94 T CA 0.787 62.858 62.100 -0.047 0.000 1.003 94 T CB 0.850 69.681 68.868 -0.061 0.000 1.040 94 T HN 0.087 nan 8.240 nan 0.000 0.492 95 G N 1.957 110.683 108.800 -0.123 0.000 2.205 95 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.261 95 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.261 95 G C 0.025 174.805 174.900 -0.200 0.000 0.980 95 G CA 0.132 45.124 45.100 -0.180 0.000 0.632 95 G HN 0.667 nan 8.290 nan 0.000 0.533 96 K N 1.570 121.855 120.400 -0.192 0.000 2.412 96 K HA 0.333 4.653 4.320 -0.001 0.000 0.281 96 K C -2.318 174.174 176.600 -0.178 0.000 1.027 96 K CA -1.473 54.673 56.287 -0.234 0.000 0.989 96 K CB 0.649 32.986 32.500 -0.271 0.000 0.935 96 K HN 0.072 nan 8.250 nan 0.000 0.475 97 P HA -0.115 nan 4.420 nan 0.000 0.264 97 P C 0.661 177.906 177.300 -0.093 0.000 1.183 97 P CA -0.071 62.958 63.100 -0.118 0.000 0.763 97 P CB 0.401 32.024 31.700 -0.129 0.000 0.807 98 L N 4.317 125.512 121.223 -0.047 0.000 2.129 98 L HA -0.246 4.093 4.340 -0.001 0.000 0.212 98 L C 2.257 179.116 176.870 -0.018 0.000 1.087 98 L CA 2.227 57.051 54.840 -0.027 0.000 0.757 98 L CB -1.548 40.508 42.059 -0.006 0.000 0.896 98 L HN 0.458 nan 8.230 nan 0.000 0.434 99 A N -1.278 121.532 122.820 -0.017 0.000 1.978 99 A HA -0.229 4.091 4.320 -0.001 0.000 0.220 99 A C 2.201 179.793 177.584 0.012 0.000 1.170 99 A CA 1.913 53.953 52.037 0.005 0.000 0.636 99 A CB -0.397 18.610 19.000 0.011 0.000 0.810 99 A HN 0.593 nan 8.150 nan 0.000 0.448 100 E N -0.905 119.267 120.200 -0.046 0.000 2.060 100 E HA -0.098 4.252 4.350 -0.001 0.000 0.189 100 E C 2.300 178.900 176.600 0.001 0.000 0.974 100 E CA 1.382 57.762 56.400 -0.033 0.000 0.808 100 E CB -0.312 29.241 29.700 -0.244 0.000 0.768 100 E HN 0.806 nan 8.360 nan 0.000 0.453 101 T N -0.153 114.372 114.554 -0.048 0.000 2.833 101 T HA -0.095 4.255 4.350 -0.001 0.000 0.269 101 T C 1.856 176.559 174.700 0.004 0.000 1.054 101 T CA 0.679 62.758 62.100 -0.035 0.000 1.135 101 T CB -0.172 68.661 68.868 -0.059 0.000 0.869 101 T HN -0.003 nan 8.240 nan 0.000 0.466 102 R N 0.563 121.070 120.500 0.012 0.000 2.189 102 R HA 0.182 4.521 4.340 -0.001 0.000 0.218 102 R C 2.269 178.593 176.300 0.040 0.000 1.074 102 R CA 1.060 57.173 56.100 0.022 0.000 0.991 102 R CB -0.125 30.187 30.300 0.019 0.000 0.883 102 R HN 0.365 nan 8.270 nan 0.000 0.457 103 S N -0.865 114.871 115.700 0.061 0.000 2.539 103 S HA 0.101 4.571 4.470 -0.001 0.000 0.226 103 S C 1.534 176.196 174.600 0.104 0.000 1.054 103 S CA -0.083 58.166 58.200 0.081 0.000 0.910 103 S CB 0.799 64.059 63.200 0.100 0.000 0.818 103 S HN 0.002 nan 8.310 nan 0.000 0.490 104 V N 0.973 120.963 119.914 0.128 0.000 3.001 104 V HA 0.111 4.231 4.120 -0.001 0.000 0.228 104 V C 1.382 177.566 176.094 0.149 0.000 1.204 104 V CA 0.776 63.180 62.300 0.173 0.000 1.247 104 V CB -0.671 31.333 31.823 0.302 0.000 1.093 104 V HN 0.192 nan 8.190 nan 0.000 0.504 105 D N 0.928 121.401 120.400 0.122 0.000 2.084 105 D HA -0.156 4.484 4.640 -0.001 0.000 0.194 105 D C 1.844 178.175 176.300 0.050 0.000 0.990 105 D CA 1.574 55.630 54.000 0.094 0.000 0.826 105 D CB -0.156 40.654 40.800 0.016 0.000 0.971 105 D HN 0.343 nan 8.370 nan 0.000 0.453 106 I N -0.036 120.553 120.570 0.032 0.000 2.406 106 I HA -0.136 4.034 4.170 -0.001 0.000 0.249 106 I C 2.246 178.392 176.117 0.049 0.000 1.122 106 I CA 0.505 61.816 61.300 0.020 0.000 1.431 106 I CB -0.372 37.626 38.000 -0.003 0.000 1.087 106 I HN -0.080 nan 8.210 nan 0.000 0.424 107 V N 0.682 120.634 119.914 0.063 0.000 2.255 107 V HA -0.305 3.814 4.120 -0.001 0.000 0.247 107 V C 2.641 178.799 176.094 0.106 0.000 1.051 107 V CA 2.570 64.913 62.300 0.072 0.000 1.018 107 V CB -1.377 30.488 31.823 0.070 0.000 0.641 107 V HN 0.651 nan 8.190 nan 0.000 0.445 108 T N -2.166 112.475 114.554 0.144 0.000 3.043 108 T HA 0.047 4.396 4.350 -0.001 0.000 0.263 108 T C 1.869 176.801 174.700 0.388 0.000 1.094 108 T CA 1.133 63.376 62.100 0.238 0.000 1.127 108 T CB -0.196 68.832 68.868 0.266 0.000 0.905 108 T HN 0.451 nan 8.240 nan 0.000 0.490 109 G N 1.424 110.374 108.800 0.250 0.000 2.404 109 G HA2 0.128 4.088 3.960 -0.001 0.000 0.214 109 G HA3 0.128 4.088 3.960 -0.001 0.000 0.214 109 G C 1.917 176.958 174.900 0.234 0.000 1.189 109 G CA 0.599 45.864 45.100 0.275 0.000 0.789 109 G HN 0.680 nan 8.290 nan 0.000 0.533 110 A N 0.942 123.834 122.820 0.121 0.000 2.019 110 A HA -0.042 4.277 4.320 -0.001 0.000 0.219 110 A C 2.048 179.692 177.584 0.099 0.000 1.164 110 A CA 2.083 54.169 52.037 0.082 0.000 0.644 110 A CB -0.399 18.623 19.000 0.036 0.000 0.805 110 A HN 0.281 nan 8.150 nan 0.000 0.449 111 D N -0.191 120.276 120.400 0.112 0.000 2.104 111 D HA -0.126 4.513 4.640 -0.001 0.000 0.194 111 D C 2.033 178.358 176.300 0.042 0.000 0.994 111 D CA 1.554 55.597 54.000 0.071 0.000 0.830 111 D CB -0.388 40.448 40.800 0.059 0.000 0.959 111 D HN 0.233 nan 8.370 nan 0.000 0.452 112 V N 0.875 120.822 119.914 0.056 0.000 2.358 112 V HA -0.188 3.931 4.120 -0.001 0.000 0.246 112 V C 2.435 178.616 176.094 0.144 0.000 1.047 112 V CA 0.976 63.264 62.300 -0.021 0.000 1.035 112 V CB -0.410 31.281 31.823 -0.221 0.000 0.658 112 V HN 0.138 nan 8.190 nan 0.000 0.452 113 L N 0.481 121.817 121.223 0.188 0.000 2.017 113 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 113 L C 2.412 179.377 176.870 0.158 0.000 1.073 113 L CA 2.392 57.353 54.840 0.202 0.000 0.745 113 L CB -0.736 41.416 42.059 0.156 0.000 0.894 113 L HN 0.452 nan 8.230 nan 0.000 0.432 114 E N -1.690 118.578 120.200 0.113 0.000 2.058 114 E HA -0.319 4.030 4.350 -0.001 0.000 0.194 114 E C 2.212 178.859 176.600 0.078 0.000 0.997 114 E CA 1.587 58.038 56.400 0.086 0.000 0.801 114 E CB -0.446 29.295 29.700 0.068 0.000 0.746 114 E HN 0.610 nan 8.360 nan 0.000 0.450 115 Y N 0.247 120.489 120.300 -0.096 0.000 2.030 115 Y HA -0.338 4.212 4.550 -0.001 0.000 0.274 115 Y C 1.957 177.745 175.900 -0.186 0.000 1.153 115 Y CA 2.277 60.253 58.100 -0.206 0.000 1.115 115 Y CB -0.789 37.441 38.460 -0.384 0.000 0.969 115 Y HN 0.157 nan 8.280 nan 0.000 0.488 116 Y N -0.123 120.147 120.300 -0.051 0.000 2.224 116 Y HA -0.161 4.388 4.550 -0.001 0.000 0.289 116 Y C 2.702 178.546 175.900 -0.093 0.000 1.146 116 Y CA 1.037 59.056 58.100 -0.134 0.000 1.182 116 Y CB -1.358 37.091 38.460 -0.019 0.000 0.983 116 Y HN 0.277 nan 8.280 nan 0.000 0.524 117 A N 0.186 123.073 122.820 0.113 0.000 1.892 117 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 117 A C 2.635 180.224 177.584 0.010 0.000 1.188 117 A CA 2.008 54.089 52.037 0.073 0.000 0.631 117 A CB -1.515 17.534 19.000 0.082 0.000 0.822 117 A HN 0.469 nan 8.150 nan 0.000 0.447 118 G N -0.841 107.940 108.800 -0.032 0.000 2.470 118 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.220 118 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.220 118 G C 1.345 176.194 174.900 -0.086 0.000 1.121 118 G CA 0.920 45.984 45.100 -0.059 0.000 0.766 118 G HN 0.461 nan 8.290 nan 0.000 0.553 119 L N 0.428 121.586 121.223 -0.110 0.000 2.567 119 L HA 0.101 4.441 4.340 -0.001 0.000 0.225 119 L C 2.584 179.425 176.870 -0.048 0.000 1.119 119 L CA -0.287 54.490 54.840 -0.106 0.000 0.871 119 L CB 0.139 42.101 42.059 -0.163 0.000 1.036 119 L HN 0.015 nan 8.230 nan 0.000 0.459 120 V N 1.074 120.966 119.914 -0.035 0.000 2.278 120 V HA -0.217 3.903 4.120 -0.001 0.000 0.251 120 V C -0.179 175.880 176.094 -0.060 0.000 1.062 120 V CA 2.132 64.403 62.300 -0.049 0.000 1.038 120 V CB -1.619 30.160 31.823 -0.073 0.000 0.646 120 V HN 0.403 nan 8.190 nan 0.000 0.447 121 P HA 0.004 nan 4.420 nan 0.000 0.226 121 P C 1.100 178.374 177.300 -0.044 0.000 1.153 121 P CA 1.373 64.440 63.100 -0.054 0.000 0.777 121 P CB -0.087 31.583 31.700 -0.049 0.000 0.794 122 A N -0.784 122.011 122.820 -0.042 0.000 2.251 122 A HA 0.099 4.419 4.320 -0.001 0.000 0.209 122 A C 0.928 178.498 177.584 -0.025 0.000 1.187 122 A CA -0.080 51.937 52.037 -0.034 0.000 0.823 122 A CB -0.968 18.008 19.000 -0.040 0.000 0.846 122 A HN 0.127 nan 8.150 nan 0.000 0.486 123 I N 1.525 122.079 120.570 -0.025 0.000 2.421 123 I HA 0.142 4.312 4.170 -0.001 0.000 0.291 123 I C -0.144 175.964 176.117 -0.014 0.000 1.089 123 I CA 0.364 61.653 61.300 -0.018 0.000 1.354 123 I CB 0.315 38.302 38.000 -0.020 0.000 1.413 123 I HN 0.329 nan 8.210 nan 0.000 0.513 124 E N 3.814 124.010 120.200 -0.007 0.000 2.393 124 E HA 0.563 4.913 4.350 -0.001 0.000 0.273 124 E C -0.041 176.567 176.600 0.013 0.000 0.918 124 E CA -0.846 55.555 56.400 0.002 0.000 0.773 124 E CB 2.100 31.800 29.700 0.001 0.000 1.275 124 E HN 0.617 nan 8.360 nan 0.000 0.451 125 G N 0.646 109.466 108.800 0.034 0.000 2.543 125 G HA2 0.377 4.337 3.960 -0.001 0.000 0.267 125 G HA3 0.377 4.337 3.960 -0.001 0.000 0.267 125 G C -0.481 174.453 174.900 0.057 0.000 1.406 125 G CA -0.263 44.868 45.100 0.051 0.000 1.048 125 G HN 0.436 nan 8.290 nan 0.000 0.548 126 E N -1.107 119.140 120.200 0.078 0.000 2.281 126 E HA 0.435 4.785 4.350 -0.001 0.000 0.262 126 E C -0.904 175.775 176.600 0.132 0.000 0.933 126 E CA -0.684 55.763 56.400 0.077 0.000 0.809 126 E CB 2.173 31.907 29.700 0.055 0.000 1.242 126 E HN 0.281 nan 8.360 nan 0.000 0.418 127 Q N 1.790 121.664 119.800 0.123 0.000 2.347 127 Q HA 0.447 4.787 4.340 -0.001 0.000 0.271 127 Q C -1.785 174.302 176.000 0.146 0.000 1.064 127 Q CA -0.760 55.156 55.803 0.188 0.000 0.800 127 Q CB 1.568 30.408 28.738 0.170 0.000 1.304 127 Q HN 0.509 nan 8.270 nan 0.000 0.438 128 I N 5.269 125.949 120.570 0.184 0.000 2.500 128 I HA 0.368 4.537 4.170 -0.001 0.000 0.286 128 I C -2.428 173.795 176.117 0.178 0.000 1.063 128 I CA -1.816 59.563 61.300 0.132 0.000 1.062 128 I CB 2.064 40.115 38.000 0.086 0.000 1.223 128 I HN 0.332 nan 8.210 nan 0.000 0.435 129 P HA 0.309 nan 4.420 nan 0.000 0.281 129 P C 0.186 177.552 177.300 0.111 0.000 1.252 129 P CA -0.250 62.938 63.100 0.148 0.000 0.778 129 P CB 1.328 33.068 31.700 0.067 0.000 0.895 130 L N 2.589 123.886 121.223 0.124 0.000 2.316 130 L HA 0.256 4.595 4.340 -0.001 0.000 0.207 130 L C 1.311 178.218 176.870 0.062 0.000 1.070 130 L CA 0.675 55.562 54.840 0.077 0.000 0.820 130 L CB -0.288 41.812 42.059 0.067 0.000 0.992 130 L HN 0.503 nan 8.230 nan 0.000 0.466 131 R N -1.929 118.616 120.500 0.075 0.000 2.789 131 R HA 0.133 4.472 4.340 -0.001 0.000 0.279 131 R C 0.209 176.549 176.300 0.066 0.000 1.010 131 R CA -0.782 55.351 56.100 0.055 0.000 0.855 131 R CB 0.663 30.989 30.300 0.044 0.000 1.312 131 R HN -0.300 nan 8.270 nan 0.000 0.479 132 E N 0.620 120.848 120.200 0.047 0.000 2.160 132 E HA -0.113 4.237 4.350 -0.001 0.000 0.195 132 E C 0.693 177.336 176.600 0.071 0.000 0.991 132 E CA 2.264 58.691 56.400 0.045 0.000 0.810 132 E CB 0.107 29.823 29.700 0.027 0.000 0.742 132 E HN 0.681 nan 8.360 nan 0.000 0.466 133 T N -2.136 112.464 114.554 0.077 0.000 3.122 133 T HA 0.213 4.563 4.350 -0.001 0.000 0.250 133 T C 0.568 175.342 174.700 0.123 0.000 1.067 133 T CA -0.147 62.007 62.100 0.091 0.000 0.966 133 T CB 0.373 69.280 68.868 0.065 0.000 1.002 133 T HN -0.030 nan 8.240 nan 0.000 0.542 134 S N 0.648 116.441 115.700 0.156 0.000 2.548 134 S HA 0.652 5.122 4.470 -0.001 0.000 0.278 134 S C -1.710 173.045 174.600 0.258 0.000 1.150 134 S CA -1.125 57.172 58.200 0.162 0.000 0.907 134 S CB 0.866 64.111 63.200 0.075 0.000 1.108 134 S HN 0.487 nan 8.310 nan 0.000 0.459 135 F N 2.467 122.446 119.950 0.049 0.000 2.626 135 F HA 0.883 5.409 4.527 -0.001 0.000 0.311 135 F C -0.883 174.958 175.800 0.069 0.000 1.088 135 F CA -1.175 56.860 58.000 0.057 0.000 0.949 135 F CB 1.172 40.212 39.000 0.066 0.000 1.322 135 F HN 0.473 nan 8.300 nan 0.000 0.461 136 V N 2.849 122.830 119.914 0.111 0.000 2.667 136 V HA 0.780 4.900 4.120 -0.001 0.000 0.308 136 V C -1.725 174.480 176.094 0.184 0.000 1.048 136 V CA -0.720 61.564 62.300 -0.026 0.000 0.928 136 V CB 1.633 33.417 31.823 -0.064 0.000 1.004 136 V HN 1.061 nan 8.190 nan 0.000 0.444 137 Y N 2.037 122.323 120.300 -0.023 0.000 2.512 137 Y HA 0.853 5.403 4.550 -0.001 0.000 0.348 137 Y C -0.151 175.751 175.900 0.003 0.000 0.990 137 Y CA -0.439 57.691 58.100 0.051 0.000 1.033 137 Y CB 1.496 40.027 38.460 0.119 0.000 1.259 137 Y HN 0.869 nan 8.280 nan 0.000 0.461 138 T N 0.869 115.483 114.554 0.101 0.000 2.902 138 T HA 0.681 5.030 4.350 -0.001 0.000 0.283 138 T C -0.529 174.238 174.700 0.113 0.000 1.009 138 T CA -0.992 61.120 62.100 0.020 0.000 1.051 138 T CB 1.285 70.158 68.868 0.008 0.000 0.999 138 T HN 0.846 nan 8.240 nan 0.000 0.474 139 R N 1.235 121.765 120.500 0.050 0.000 2.589 139 R HA 0.508 4.848 4.340 -0.001 0.000 0.293 139 R C -0.064 176.250 176.300 0.023 0.000 0.963 139 R CA -0.899 55.242 56.100 0.067 0.000 0.905 139 R CB 1.644 31.986 30.300 0.069 0.000 1.144 139 R HN 0.535 nan 8.270 nan 0.000 0.459 140 R N 2.263 122.775 120.500 0.021 0.000 2.239 140 R HA 0.173 4.513 4.340 -0.001 0.000 0.332 140 R C -0.576 175.729 176.300 0.009 0.000 0.988 140 R CA -0.295 55.807 56.100 0.004 0.000 0.859 140 R CB 1.201 31.498 30.300 -0.005 0.000 1.148 140 R HN 0.555 nan 8.270 nan 0.000 0.482 141 E N 3.486 123.692 120.200 0.011 0.000 2.212 141 E HA 0.313 4.663 4.350 -0.001 0.000 0.270 141 E C -2.367 174.251 176.600 0.030 0.000 0.956 141 E CA -2.312 54.098 56.400 0.017 0.000 0.825 141 E CB 1.494 31.204 29.700 0.017 0.000 1.167 141 E HN 0.197 nan 8.360 nan 0.000 0.400 142 P HA -0.054 nan 4.420 nan 0.000 0.267 142 P C 0.284 177.626 177.300 0.070 0.000 1.200 142 P CA 0.316 63.457 63.100 0.068 0.000 0.772 142 P CB 0.554 32.299 31.700 0.075 0.000 0.855 143 L N 1.232 122.511 121.223 0.094 0.000 2.093 143 L HA 0.006 4.345 4.340 -0.001 0.000 0.208 143 L C 1.753 178.673 176.870 0.084 0.000 1.085 143 L CA 1.982 56.874 54.840 0.087 0.000 0.755 143 L CB -0.876 41.249 42.059 0.109 0.000 0.904 143 L HN 0.805 nan 8.230 nan 0.000 0.435 144 G N -1.199 107.660 108.800 0.097 0.000 2.731 144 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.218 144 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.218 144 G C -0.581 174.373 174.900 0.090 0.000 1.349 144 G CA -0.308 44.843 45.100 0.086 0.000 1.225 144 G HN -0.121 nan 8.290 nan 0.000 0.526 145 V N 2.130 122.089 119.914 0.075 0.000 2.394 145 V HA 0.646 4.765 4.120 -0.001 0.000 0.282 145 V C 0.807 176.956 176.094 0.090 0.000 1.031 145 V CA 0.073 62.413 62.300 0.066 0.000 0.881 145 V CB 0.865 32.704 31.823 0.027 0.000 0.982 145 V HN 1.514 nan 8.190 nan 0.000 0.451 146 V N 2.212 122.195 119.914 0.115 0.000 3.046 146 V HA 1.067 5.187 4.120 -0.001 0.000 0.316 146 V C -0.134 176.047 176.094 0.144 0.000 1.104 146 V CA -0.841 61.554 62.300 0.157 0.000 1.006 146 V CB 1.924 33.904 31.823 0.262 0.000 1.058 146 V HN 1.057 nan 8.190 nan 0.000 0.440 147 A N 1.181 124.096 122.820 0.158 0.000 2.386 147 A HA 0.980 5.299 4.320 -0.001 0.000 0.311 147 A C -0.018 177.682 177.584 0.194 0.000 1.068 147 A CA -0.201 51.923 52.037 0.145 0.000 0.743 147 A CB 1.597 20.654 19.000 0.096 0.000 1.258 147 A HN 1.973 nan 8.150 nan 0.000 0.429 148 G N 0.560 109.483 108.800 0.206 0.000 2.530 148 G HA2 0.593 4.553 3.960 -0.001 0.000 0.316 148 G HA3 0.593 4.553 3.960 -0.001 0.000 0.316 148 G C -1.002 173.850 174.900 -0.080 0.000 1.298 148 G CA -0.405 44.844 45.100 0.249 0.000 0.948 148 G HN 0.632 nan 8.290 nan 0.000 0.486 149 I N 2.326 122.856 120.570 -0.067 0.000 2.411 149 I HA 0.417 4.587 4.170 -0.001 0.000 0.284 149 I C 0.853 176.809 176.117 -0.270 0.000 1.012 149 I CA -0.645 60.532 61.300 -0.205 0.000 1.119 149 I CB 1.953 40.028 38.000 0.124 0.000 1.261 149 I HN 0.554 nan 8.210 nan 0.000 0.448 150 G N 3.969 112.519 108.800 -0.417 0.000 2.502 150 G HA2 0.773 4.732 3.960 -0.001 0.000 0.305 150 G HA3 0.773 4.732 3.960 -0.001 0.000 0.305 150 G C -0.617 174.211 174.900 -0.120 0.000 1.190 150 G CA -0.376 44.667 45.100 -0.095 0.000 0.933 150 G HN 0.691 nan 8.290 nan 0.000 0.503 151 A N -0.466 122.295 122.820 -0.098 0.000 2.309 151 A HA 0.677 4.997 4.320 -0.001 0.000 0.317 151 A C 0.646 178.179 177.584 -0.085 0.000 1.134 151 A CA -0.671 51.243 52.037 -0.205 0.000 0.866 151 A CB 0.744 19.520 19.000 -0.374 0.000 1.329 151 A HN 1.059 nan 8.150 nan 0.000 0.477 152 W N 0.439 121.758 121.300 0.032 0.000 3.077 152 W HA 0.024 4.684 4.660 -0.001 0.000 0.266 152 W C 0.772 177.296 176.519 0.008 0.000 1.300 152 W CA 0.718 58.076 57.345 0.022 0.000 1.586 152 W CB -0.488 28.968 29.460 -0.007 0.000 1.103 152 W HN 0.829 nan 8.180 nan 0.000 0.652 153 N N 1.063 119.579 118.700 -0.306 0.000 2.354 153 N HA -0.170 4.570 4.740 -0.001 0.000 0.179 153 N C -0.365 175.067 175.510 -0.129 0.000 1.021 153 N CA 0.760 53.702 53.050 -0.179 0.000 0.887 153 N CB -1.023 37.233 38.487 -0.386 0.000 0.974 153 N HN 0.208 nan 8.380 nan 0.000 0.437 154 Y N -0.329 119.895 120.300 -0.128 0.000 2.513 154 Y HA 0.396 4.946 4.550 -0.001 0.000 0.341 154 Y C -1.872 173.973 175.900 -0.092 0.000 1.075 154 Y CA -1.786 56.239 58.100 -0.125 0.000 1.190 154 Y CB 2.115 40.447 38.460 -0.214 0.000 1.111 154 Y HN -0.044 nan 8.280 nan 0.000 0.644 155 P HA -0.218 nan 4.420 nan 0.000 0.213 155 P C 1.819 179.157 177.300 0.063 0.000 1.170 155 P CA 1.260 64.418 63.100 0.098 0.000 0.898 155 P CB 0.532 32.295 31.700 0.106 0.000 0.787 156 V N -0.627 119.292 119.914 0.008 0.000 2.719 156 V HA -0.177 3.942 4.120 -0.001 0.000 0.252 156 V C 2.474 178.517 176.094 -0.085 0.000 1.065 156 V CA 1.549 63.821 62.300 -0.047 0.000 1.086 156 V CB -0.880 30.909 31.823 -0.055 0.000 0.700 156 V HN 0.105 nan 8.190 nan 0.000 0.467 157 Q N -0.213 119.534 119.800 -0.089 0.000 2.050 157 Q HA -0.205 4.135 4.340 -0.001 0.000 0.202 157 Q C 2.182 177.977 176.000 -0.342 0.000 0.980 157 Q CA 2.461 58.122 55.803 -0.237 0.000 0.840 157 Q CB -0.189 28.363 28.738 -0.309 0.000 0.898 157 Q HN 0.697 nan 8.270 nan 0.000 0.424 158 I N 0.877 121.322 120.570 -0.208 0.000 2.179 158 I HA -0.293 3.876 4.170 -0.001 0.000 0.242 158 I C 2.553 178.694 176.117 0.040 0.000 1.088 158 I CA 1.076 62.350 61.300 -0.044 0.000 1.357 158 I CB -0.547 37.486 38.000 0.055 0.000 1.051 158 I HN 0.243 nan 8.210 nan 0.000 0.409 159 A N 0.995 123.741 122.820 -0.123 0.000 1.903 159 A HA -0.228 4.091 4.320 -0.001 0.000 0.219 159 A C 2.316 179.740 177.584 -0.268 0.000 1.191 159 A CA 1.819 53.508 52.037 -0.580 0.000 0.638 159 A CB -1.033 17.546 19.000 -0.702 0.000 0.823 159 A HN 0.403 nan 8.150 nan 0.000 0.451 160 L N -2.553 118.602 121.223 -0.115 0.000 2.046 160 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 160 L C 2.589 179.622 176.870 0.272 0.000 1.077 160 L CA 1.174 56.038 54.840 0.040 0.000 0.747 160 L CB -0.460 41.641 42.059 0.070 0.000 0.896 160 L HN 0.580 nan 8.230 nan 0.000 0.432 161 W N 0.519 121.837 121.300 0.030 0.000 2.425 161 W HA -0.092 4.567 4.660 -0.001 0.000 0.277 161 W C 2.487 179.069 176.519 0.106 0.000 1.231 161 W CA 0.573 57.975 57.345 0.096 0.000 1.248 161 W CB -0.431 29.084 29.460 0.091 0.000 1.117 161 W HN 0.091 nan 8.180 nan 0.000 0.568 162 K N -0.152 120.432 120.400 0.305 0.000 2.067 162 K HA -0.058 4.262 4.320 -0.001 0.000 0.203 162 K C 2.224 178.872 176.600 0.080 0.000 1.048 162 K CA 1.628 58.067 56.287 0.252 0.000 0.954 162 K CB -0.513 32.213 32.500 0.377 0.000 0.737 162 K HN 0.035 nan 8.250 nan 0.000 0.444 163 S N 1.161 116.893 115.700 0.053 0.000 2.406 163 S HA -0.008 4.462 4.470 -0.001 0.000 0.228 163 S C 2.307 176.828 174.600 -0.132 0.000 1.020 163 S CA 0.704 58.877 58.200 -0.046 0.000 0.965 163 S CB -0.141 62.964 63.200 -0.159 0.000 0.798 163 S HN 0.251 nan 8.310 nan 0.000 0.488 164 A N 3.719 126.526 122.820 -0.022 0.000 1.859 164 A HA -0.002 4.317 4.320 -0.001 0.000 0.217 164 A C 0.483 177.966 177.584 -0.169 0.000 1.198 164 A CA 1.764 53.818 52.037 0.028 0.000 0.629 164 A CB -1.834 17.305 19.000 0.232 0.000 0.830 164 A HN 0.611 nan 8.150 nan 0.000 0.446 165 P HA -0.061 nan 4.420 nan 0.000 0.219 165 P C 1.565 178.441 177.300 -0.707 0.000 1.150 165 P CA 1.789 64.415 63.100 -0.789 0.000 0.814 165 P CB -0.167 31.019 31.700 -0.856 0.000 0.787 166 A N 0.076 122.328 122.820 -0.947 0.000 1.877 166 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 166 A C 2.211 179.654 177.584 -0.235 0.000 1.186 166 A CA 1.584 53.144 52.037 -0.795 0.000 0.620 166 A CB -1.603 17.047 19.000 -0.584 0.000 0.822 166 A HN 0.076 nan 8.150 nan 0.000 0.443 167 L N -0.341 120.785 121.223 -0.162 0.000 2.056 167 L HA -0.088 4.252 4.340 -0.001 0.000 0.207 167 L C 2.996 180.045 176.870 0.299 0.000 1.078 167 L CA 1.823 56.706 54.840 0.070 0.000 0.749 167 L CB -0.927 41.018 42.059 -0.190 0.000 0.901 167 L HN 0.393 nan 8.230 nan 0.000 0.433 168 A N -0.594 122.273 122.820 0.078 0.000 1.940 168 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 168 A C 2.250 179.833 177.584 -0.002 0.000 1.176 168 A CA 1.709 53.775 52.037 0.048 0.000 0.631 168 A CB -0.812 18.193 19.000 0.007 0.000 0.814 168 A HN 0.366 nan 8.150 nan 0.000 0.446 169 A N -1.912 120.900 122.820 -0.012 0.000 2.278 169 A HA 0.430 4.749 4.320 -0.001 0.000 0.212 169 A C 1.645 179.255 177.584 0.042 0.000 1.213 169 A CA 1.097 53.141 52.037 0.011 0.000 0.840 169 A CB -0.982 18.052 19.000 0.055 0.000 0.866 169 A HN 1.916 nan 8.150 nan 0.000 0.489 170 G N -0.543 108.310 108.800 0.090 0.000 2.141 170 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.242 170 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.242 170 G C -0.111 174.964 174.900 0.292 0.000 0.982 170 G CA 0.053 45.217 45.100 0.106 0.000 0.662 170 G HN 0.540 nan 8.290 nan 0.000 0.527 171 N N 0.388 119.243 118.700 0.258 0.000 2.476 171 N HA 0.638 5.378 4.740 -0.001 0.000 0.275 171 N C 0.304 175.886 175.510 0.121 0.000 1.190 171 N CA 0.340 53.501 53.050 0.184 0.000 0.977 171 N CB 1.482 40.054 38.487 0.142 0.000 1.200 171 N HN 0.599 nan 8.380 nan 0.000 0.515 172 A N 0.681 123.541 122.820 0.067 0.000 2.306 172 A HA 0.535 4.854 4.320 -0.001 0.000 0.314 172 A C -0.230 177.377 177.584 0.038 0.000 1.164 172 A CA -0.525 51.507 52.037 -0.008 0.000 0.822 172 A CB 0.598 19.593 19.000 -0.010 0.000 1.130 172 A HN 0.725 nan 8.150 nan 0.000 0.496 173 M N 3.070 122.705 119.600 0.057 0.000 2.311 173 M HA 0.580 5.060 4.480 -0.001 0.000 0.325 173 M C -1.637 174.683 176.300 0.034 0.000 1.061 173 M CA -0.535 54.840 55.300 0.124 0.000 0.957 173 M CB 0.870 33.624 32.600 0.258 0.000 1.646 173 M HN 0.593 nan 8.290 nan 0.000 0.434 174 I N 5.029 125.615 120.570 0.027 0.000 2.315 174 I HA 0.301 4.470 4.170 -0.001 0.000 0.291 174 I C -1.104 175.034 176.117 0.035 0.000 1.006 174 I CA -0.355 60.923 61.300 -0.036 0.000 1.265 174 I CB 0.782 38.770 38.000 -0.021 0.000 1.387 174 I HN 0.578 nan 8.210 nan 0.000 0.475 175 F N 7.426 127.242 119.950 -0.224 0.000 2.469 175 F HA 0.455 4.982 4.527 -0.001 0.000 0.332 175 F C -0.125 175.650 175.800 -0.042 0.000 1.103 175 F CA -0.646 57.297 58.000 -0.094 0.000 0.979 175 F CB 1.201 40.138 39.000 -0.105 0.000 1.137 175 F HN 0.301 nan 8.300 nan 0.000 0.463 176 K N 8.584 128.628 120.400 -0.594 0.000 2.425 176 K HA 0.430 4.750 4.320 -0.001 0.000 0.259 176 K C -2.939 173.332 176.600 -0.549 0.000 0.978 176 K CA -2.123 53.953 56.287 -0.352 0.000 0.883 176 K CB 1.516 33.897 32.500 -0.198 0.000 1.110 176 K HN 0.312 nan 8.250 nan 0.000 0.436 177 P HA 0.000 nan 4.420 nan 0.000 0.274 177 P C -0.302 177.010 177.300 0.021 0.000 1.246 177 P CA -0.372 62.750 63.100 0.037 0.000 0.795 177 P CB 1.091 32.972 31.700 0.303 0.000 1.006 178 S N -0.140 115.605 115.700 0.075 0.000 2.568 178 S HA -0.055 4.415 4.470 -0.001 0.000 0.282 178 S C 1.365 176.004 174.600 0.065 0.000 1.338 178 S CA -0.096 58.154 58.200 0.084 0.000 1.045 178 S CB -0.242 63.085 63.200 0.211 0.000 0.873 178 S HN 0.562 nan 8.310 nan 0.000 0.516 179 E N 2.322 122.487 120.200 -0.058 0.000 2.268 179 E HA -0.082 4.268 4.350 -0.001 0.000 0.195 179 E C 1.498 178.059 176.600 -0.064 0.000 0.995 179 E CA 0.926 57.177 56.400 -0.247 0.000 0.836 179 E CB -0.006 29.375 29.700 -0.530 0.000 0.763 179 E HN 0.656 nan 8.360 nan 0.000 0.491 180 V N 0.318 120.234 119.914 0.004 0.000 2.548 180 V HA -0.112 4.007 4.120 -0.001 0.000 0.249 180 V C 1.419 177.578 176.094 0.109 0.000 1.055 180 V CA 1.736 64.048 62.300 0.020 0.000 1.065 180 V CB -0.111 31.646 31.823 -0.108 0.000 0.681 180 V HN 0.396 nan 8.190 nan 0.000 0.462 181 T N -2.596 112.057 114.554 0.166 0.000 3.583 181 T HA 0.321 4.671 4.350 -0.001 0.000 0.266 181 T C -1.814 173.004 174.700 0.196 0.000 1.296 181 T CA -0.930 61.276 62.100 0.177 0.000 1.668 181 T CB 1.531 70.514 68.868 0.191 0.000 0.832 181 T HN 0.262 nan 8.240 nan 0.000 0.649 182 P HA 0.259 nan 4.420 nan 0.000 0.252 182 P C 1.447 178.860 177.300 0.188 0.000 1.218 182 P CA -0.175 63.069 63.100 0.240 0.000 0.807 182 P CB 0.394 32.292 31.700 0.331 0.000 1.072 183 L N 0.430 121.739 121.223 0.143 0.000 2.027 183 L HA -0.084 4.256 4.340 -0.001 0.000 0.206 183 L C 2.639 179.546 176.870 0.061 0.000 1.074 183 L CA 2.386 57.278 54.840 0.086 0.000 0.745 183 L CB -1.828 40.263 42.059 0.053 0.000 0.898 183 L HN 0.067 nan 8.230 nan 0.000 0.433 184 T N -2.586 112.004 114.554 0.059 0.000 2.995 184 T HA 0.023 4.373 4.350 -0.001 0.000 0.269 184 T C 1.925 176.643 174.700 0.030 0.000 1.091 184 T CA 0.696 62.809 62.100 0.022 0.000 1.128 184 T CB -0.198 68.671 68.868 0.002 0.000 0.891 184 T HN 0.283 nan 8.240 nan 0.000 0.492 185 A N 1.881 124.762 122.820 0.102 0.000 1.933 185 A HA 0.137 4.456 4.320 -0.001 0.000 0.218 185 A C 2.344 180.005 177.584 0.128 0.000 1.175 185 A CA 1.228 53.354 52.037 0.147 0.000 0.628 185 A CB -0.864 18.333 19.000 0.330 0.000 0.814 185 A HN 0.551 nan 8.150 nan 0.000 0.444 186 L N -0.907 120.384 121.223 0.114 0.000 2.093 186 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 186 L C 2.424 179.285 176.870 -0.016 0.000 1.085 186 L CA 1.030 55.918 54.840 0.081 0.000 0.755 186 L CB -0.387 41.816 42.059 0.240 0.000 0.904 186 L HN 0.157 nan 8.230 nan 0.000 0.435 187 K N 0.128 120.523 120.400 -0.009 0.000 2.057 187 K HA -0.126 4.194 4.320 -0.001 0.000 0.206 187 K C 2.041 178.554 176.600 -0.145 0.000 1.050 187 K CA 1.096 57.347 56.287 -0.060 0.000 0.935 187 K CB -0.721 31.743 32.500 -0.060 0.000 0.715 187 K HN 0.121 nan 8.250 nan 0.000 0.439 188 L N 1.232 122.359 121.223 -0.160 0.000 2.042 188 L HA -0.121 4.218 4.340 -0.001 0.000 0.210 188 L C 2.104 178.784 176.870 -0.317 0.000 1.076 188 L CA 2.080 56.735 54.840 -0.307 0.000 0.749 188 L CB -0.868 40.984 42.059 -0.345 0.000 0.893 188 L HN 0.161 nan 8.230 nan 0.000 0.432 189 A N -0.965 121.765 122.820 -0.151 0.000 1.930 189 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 189 A C 2.124 179.384 177.584 -0.541 0.000 1.175 189 A CA 1.599 53.507 52.037 -0.215 0.000 0.627 189 A CB -0.591 18.088 19.000 -0.534 0.000 0.815 189 A HN 0.625 nan 8.150 nan 0.000 0.443 190 E N -0.256 119.632 120.200 -0.520 0.000 2.085 190 E HA -0.180 4.170 4.350 -0.001 0.000 0.194 190 E C 1.830 178.374 176.600 -0.094 0.000 0.994 190 E CA 1.375 57.642 56.400 -0.221 0.000 0.801 190 E CB -0.291 29.373 29.700 -0.061 0.000 0.743 190 E HN 0.711 nan 8.360 nan 0.000 0.453 191 I N 0.045 120.523 120.570 -0.153 0.000 2.286 191 I HA -0.247 3.923 4.170 -0.001 0.000 0.245 191 I C 2.038 178.102 176.117 -0.090 0.000 1.104 191 I CA 0.828 62.042 61.300 -0.144 0.000 1.397 191 I CB -0.205 37.654 38.000 -0.236 0.000 1.072 191 I HN 0.094 nan 8.210 nan 0.000 0.417 192 Y N 1.339 121.557 120.300 -0.137 0.000 2.097 192 Y HA -0.275 4.275 4.550 -0.001 0.000 0.282 192 Y C 2.943 178.801 175.900 -0.069 0.000 1.152 192 Y CA 1.627 59.645 58.100 -0.136 0.000 1.136 192 Y CB -1.436 36.904 38.460 -0.200 0.000 0.975 192 Y HN 0.130 nan 8.280 nan 0.000 0.498 193 T N -0.382 114.257 114.554 0.141 0.000 2.665 193 T HA -0.277 4.073 4.350 -0.001 0.000 0.268 193 T C 1.843 176.595 174.700 0.087 0.000 1.035 193 T CA 1.763 63.936 62.100 0.121 0.000 1.151 193 T CB -0.329 68.654 68.868 0.192 0.000 0.862 193 T HN 0.447 nan 8.240 nan 0.000 0.438 194 E N 0.680 120.920 120.200 0.068 0.000 2.160 194 E HA -0.122 4.228 4.350 -0.001 0.000 0.195 194 E C 2.195 178.827 176.600 0.053 0.000 0.991 194 E CA 0.991 57.422 56.400 0.052 0.000 0.810 194 E CB -0.183 29.535 29.700 0.031 0.000 0.742 194 E HN 0.501 nan 8.360 nan 0.000 0.466 195 A N -0.210 122.647 122.820 0.063 0.000 2.119 195 A HA 0.143 4.462 4.320 -0.001 0.000 0.217 195 A C 1.783 179.420 177.584 0.088 0.000 1.153 195 A CA 1.197 53.279 52.037 0.076 0.000 0.692 195 A CB -0.231 18.829 19.000 0.100 0.000 0.799 195 A HN 0.507 nan 8.150 nan 0.000 0.458 196 G N -2.179 106.671 108.800 0.083 0.000 2.175 196 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.182 196 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.182 196 G C 0.092 175.042 174.900 0.083 0.000 1.003 196 G CA -0.097 45.056 45.100 0.088 0.000 0.666 196 G HN 0.654 nan 8.290 nan 0.000 0.506 197 V N 2.365 122.289 119.914 0.017 0.000 2.585 197 V HA 0.313 4.433 4.120 -0.001 0.000 0.296 197 V C -1.067 174.968 176.094 -0.097 0.000 1.035 197 V CA -0.602 61.600 62.300 -0.164 0.000 1.084 197 V CB 0.975 32.580 31.823 -0.364 0.000 0.953 197 V HN 0.199 nan 8.190 nan 0.000 0.483 198 P HA 0.107 nan 4.420 nan 0.000 0.269 198 P C -0.624 176.653 177.300 -0.038 0.000 1.215 198 P CA -0.438 62.654 63.100 -0.013 0.000 0.780 198 P CB 0.326 32.060 31.700 0.055 0.000 0.898 199 D N 1.119 121.519 120.400 -0.000 0.000 2.531 199 D HA 0.233 4.873 4.640 -0.001 0.000 0.239 199 D C 1.623 177.913 176.300 -0.017 0.000 1.144 199 D CA 1.903 55.902 54.000 -0.003 0.000 0.869 199 D CB -0.136 40.658 40.800 -0.008 0.000 1.160 199 D HN 0.676 nan 8.370 nan 0.000 0.484 200 G N 1.036 109.827 108.800 -0.015 0.000 2.213 200 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.236 200 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.236 200 G C 1.209 176.082 174.900 -0.045 0.000 0.991 200 G CA 0.190 45.275 45.100 -0.026 0.000 0.629 200 G HN 0.450 nan 8.290 nan 0.000 0.517 201 V N -0.578 119.278 119.914 -0.096 0.000 2.548 201 V HA 0.307 4.426 4.120 -0.001 0.000 0.249 201 V C 0.976 177.018 176.094 -0.088 0.000 1.055 201 V CA 1.931 64.113 62.300 -0.197 0.000 1.065 201 V CB -0.185 31.334 31.823 -0.507 0.000 0.681 201 V HN 0.452 nan 8.190 nan 0.000 0.462 202 F N 1.617 121.453 119.950 -0.191 0.000 2.513 202 F HA 0.548 5.074 4.527 -0.001 0.000 0.358 202 F C -0.361 175.477 175.800 0.063 0.000 1.118 202 F CA -1.143 56.805 58.000 -0.086 0.000 1.037 202 F CB 0.625 39.556 39.000 -0.116 0.000 1.276 202 F HN -0.015 nan 8.300 nan 0.000 0.446 203 N N 3.867 122.392 118.700 -0.293 0.000 2.370 203 N HA 0.608 5.348 4.740 -0.001 0.000 0.303 203 N C -1.342 173.979 175.510 -0.315 0.000 1.103 203 N CA -0.474 52.480 53.050 -0.159 0.000 0.848 203 N CB 2.654 41.097 38.487 -0.074 0.000 1.235 203 N HN 0.241 nan 8.380 nan 0.000 0.496 204 V N 2.345 122.197 119.914 -0.104 0.000 2.487 204 V HA 0.480 4.599 4.120 -0.001 0.000 0.298 204 V C -0.274 175.859 176.094 0.066 0.000 1.028 204 V CA -0.695 61.583 62.300 -0.036 0.000 0.860 204 V CB 1.585 33.426 31.823 0.030 0.000 0.991 204 V HN 0.404 nan 8.190 nan 0.000 0.427 205 L N 5.023 126.285 121.223 0.064 0.000 2.343 205 L HA 0.593 4.932 4.340 -0.001 0.000 0.278 205 L C 0.406 177.348 176.870 0.121 0.000 0.996 205 L CA -0.342 54.556 54.840 0.097 0.000 0.831 205 L CB 2.196 44.304 42.059 0.080 0.000 1.232 205 L HN 0.778 nan 8.230 nan 0.000 0.413 206 T N -0.449 114.213 114.554 0.180 0.000 2.927 206 T HA 0.917 5.267 4.350 -0.001 0.000 0.281 206 T C 0.323 175.193 174.700 0.284 0.000 0.998 206 T CA -0.146 62.107 62.100 0.256 0.000 1.019 206 T CB 2.299 71.369 68.868 0.336 0.000 1.061 206 T HN 0.937 nan 8.240 nan 0.000 0.518 207 G N 0.628 109.589 108.800 0.267 0.000 2.315 207 G HA2 0.358 4.318 3.960 -0.001 0.000 0.296 207 G HA3 0.358 4.318 3.960 -0.001 0.000 0.296 207 G C -0.432 174.362 174.900 -0.177 0.000 1.289 207 G CA -0.386 44.767 45.100 0.088 0.000 0.996 207 G HN 1.519 nan 8.290 nan 0.000 0.487 208 S N -0.658 114.921 115.700 -0.202 0.000 2.672 208 S HA 0.642 5.112 4.470 -0.001 0.000 0.276 208 S C 1.660 176.144 174.600 -0.193 0.000 1.207 208 S CA 0.744 58.809 58.200 -0.224 0.000 1.002 208 S CB 1.433 64.509 63.200 -0.208 0.000 0.998 208 S HN 2.199 nan 8.310 nan 0.000 0.542 209 G N 0.575 109.288 108.800 -0.144 0.000 2.408 209 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.217 209 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.217 209 G C 1.503 176.292 174.900 -0.184 0.000 1.150 209 G CA 0.162 45.194 45.100 -0.114 0.000 0.776 209 G HN 0.723 nan 8.290 nan 0.000 0.542 210 R N -0.000 120.382 120.500 -0.196 0.000 2.148 210 R HA 0.109 4.449 4.340 -0.001 0.000 0.223 210 R C 2.327 178.383 176.300 -0.406 0.000 1.088 210 R CA 1.152 57.118 56.100 -0.224 0.000 0.985 210 R CB 0.005 30.217 30.300 -0.147 0.000 0.880 210 R HN 0.479 nan 8.270 nan 0.000 0.451 211 E N -0.957 118.917 120.200 -0.544 0.000 2.066 211 E HA -0.073 4.277 4.350 -0.001 0.000 0.207 211 E C 1.694 177.421 176.600 -1.456 0.000 0.937 211 E CA 0.724 56.437 56.400 -1.144 0.000 0.906 211 E CB -0.292 28.912 29.700 -0.827 0.000 0.986 211 E HN 0.022 nan 8.360 nan 0.000 0.490 212 V N 1.121 120.579 119.914 -0.760 0.000 2.515 212 V HA -0.113 4.006 4.120 -0.001 0.000 0.250 212 V C 1.894 177.895 176.094 -0.155 0.000 1.058 212 V CA 2.409 64.547 62.300 -0.268 0.000 1.064 212 V CB -0.671 31.165 31.823 0.022 0.000 0.675 212 V HN 0.488 nan 8.190 nan 0.000 0.461 213 G N -1.003 107.681 108.800 -0.194 0.000 2.433 213 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.216 213 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.216 213 G C 1.444 176.287 174.900 -0.095 0.000 1.186 213 G CA 1.062 46.102 45.100 -0.101 0.000 0.779 213 G HN 0.549 nan 8.290 nan 0.000 0.543 214 Q N -0.321 119.360 119.800 -0.198 0.000 2.077 214 Q HA -0.132 4.208 4.340 -0.001 0.000 0.206 214 Q C 2.315 178.319 176.000 0.007 0.000 0.989 214 Q CA 1.912 57.625 55.803 -0.150 0.000 0.853 214 Q CB -0.377 28.209 28.738 -0.254 0.000 0.907 214 Q HN 0.660 nan 8.270 nan 0.000 0.418 215 W N 0.037 121.354 121.300 0.029 0.000 2.363 215 W HA -0.066 4.594 4.660 -0.001 0.000 0.296 215 W C 1.894 178.458 176.519 0.076 0.000 1.212 215 W CA 0.547 57.921 57.345 0.048 0.000 1.260 215 W CB -0.972 28.521 29.460 0.055 0.000 1.131 215 W HN 0.248 nan 8.180 nan 0.000 0.530 216 L N 0.370 121.735 121.223 0.237 0.000 2.056 216 L HA -0.203 4.137 4.340 -0.001 0.000 0.207 216 L C 2.775 179.731 176.870 0.143 0.000 1.078 216 L CA 2.164 57.107 54.840 0.171 0.000 0.749 216 L CB -1.427 40.693 42.059 0.102 0.000 0.901 216 L HN 0.011 nan 8.230 nan 0.000 0.433 217 T N -3.024 111.588 114.554 0.097 0.000 2.881 217 T HA -0.179 4.171 4.350 -0.001 0.000 0.270 217 T C 1.533 176.280 174.700 0.078 0.000 1.068 217 T CA 1.336 63.475 62.100 0.065 0.000 1.131 217 T CB -0.214 68.659 68.868 0.008 0.000 0.871 217 T HN 0.401 nan 8.240 nan 0.000 0.479 218 E N -0.223 120.044 120.200 0.111 0.000 2.299 218 E HA 0.058 4.407 4.350 -0.001 0.000 0.193 218 E C 0.434 177.089 176.600 0.091 0.000 0.998 218 E CA -0.083 56.374 56.400 0.096 0.000 0.851 218 E CB -0.080 29.688 29.700 0.114 0.000 0.795 218 E HN 0.719 nan 8.360 nan 0.000 0.492 219 H N 2.007 121.122 119.070 0.076 0.000 3.004 219 H HA -0.012 4.543 4.556 -0.001 0.000 0.316 219 H C -1.532 173.821 175.328 0.042 0.000 1.014 219 H CA -1.351 54.732 56.048 0.058 0.000 1.454 219 H CB 1.045 30.846 29.762 0.063 0.000 1.472 219 H HN -0.083 nan 8.280 nan 0.000 0.571 220 P HA -0.122 nan 4.420 nan 0.000 0.230 220 P C 0.668 178.062 177.300 0.157 0.000 1.158 220 P CA 1.011 64.134 63.100 0.038 0.000 0.769 220 P CB 0.381 32.050 31.700 -0.051 0.000 0.807 221 L N -1.337 120.112 121.223 0.376 0.000 2.607 221 L HA 0.253 4.592 4.340 -0.001 0.000 0.228 221 L C 1.101 178.057 176.870 0.144 0.000 1.123 221 L CA -0.197 54.781 54.840 0.230 0.000 0.890 221 L CB -0.009 42.180 42.059 0.217 0.000 1.103 221 L HN -0.146 nan 8.230 nan 0.000 0.468 222 I N 0.391 121.058 120.570 0.161 0.000 2.331 222 I HA 0.081 4.251 4.170 -0.001 0.000 0.292 222 I C 0.995 177.170 176.117 0.096 0.000 0.998 222 I CA -0.174 61.187 61.300 0.101 0.000 1.267 222 I CB 1.626 39.688 38.000 0.102 0.000 1.386 222 I HN 0.063 nan 8.210 nan 0.000 0.476 223 E N 4.763 125.015 120.200 0.085 0.000 2.400 223 E HA 0.098 4.448 4.350 -0.001 0.000 0.195 223 E C 0.148 176.788 176.600 0.066 0.000 1.012 223 E CA 0.456 56.899 56.400 0.073 0.000 0.875 223 E CB 0.608 30.350 29.700 0.070 0.000 0.859 223 E HN 0.471 nan 8.360 nan 0.000 0.498 224 K N 0.610 121.059 120.400 0.082 0.000 2.542 224 K HA 0.309 4.628 4.320 -0.001 0.000 0.259 224 K C -1.574 175.087 176.600 0.102 0.000 0.932 224 K CA -0.508 55.823 56.287 0.073 0.000 0.820 224 K CB 1.551 34.090 32.500 0.064 0.000 1.345 224 K HN -0.209 nan 8.250 nan 0.000 0.432 225 I N 2.226 122.848 120.570 0.087 0.000 2.433 225 I HA 0.282 4.452 4.170 -0.001 0.000 0.292 225 I C -0.260 175.940 176.117 0.140 0.000 1.001 225 I CA -0.564 60.807 61.300 0.119 0.000 1.119 225 I CB 1.460 39.516 38.000 0.093 0.000 1.289 225 I HN 0.567 nan 8.210 nan 0.000 0.438 226 S N 6.796 122.618 115.700 0.203 0.000 2.478 226 S HA 0.670 5.140 4.470 -0.001 0.000 0.312 226 S C -1.139 173.619 174.600 0.263 0.000 1.094 226 S CA -0.397 57.940 58.200 0.228 0.000 1.081 226 S CB 0.629 64.008 63.200 0.298 0.000 1.007 226 S HN 0.380 nan 8.310 nan 0.000 0.475 227 F N 3.664 123.662 119.950 0.080 0.000 2.540 227 F HA 0.667 5.193 4.527 -0.001 0.000 0.317 227 F C -0.546 175.286 175.800 0.053 0.000 1.104 227 F CA -0.189 57.840 58.000 0.048 0.000 0.913 227 F CB 2.090 41.102 39.000 0.020 0.000 1.170 227 F HN 0.451 nan 8.300 nan 0.000 0.450 228 T N 4.324 118.426 114.554 -0.754 0.000 2.824 228 T HA 0.829 5.178 4.350 -0.001 0.000 0.282 228 T C -0.204 173.862 174.700 -1.056 0.000 0.993 228 T CA -0.213 61.499 62.100 -0.648 0.000 0.967 228 T CB 1.300 70.007 68.868 -0.268 0.000 0.960 228 T HN 1.141 nan 8.240 nan 0.000 0.441 229 G N 1.319 109.726 108.800 -0.654 0.000 2.367 229 G HA2 0.499 4.459 3.960 -0.001 0.000 0.272 229 G HA3 0.499 4.459 3.960 -0.001 0.000 0.272 229 G C -0.276 174.579 174.900 -0.075 0.000 1.271 229 G CA -0.325 44.536 45.100 -0.398 0.000 0.893 229 G HN 0.861 nan 8.290 nan 0.000 0.485 230 G N -0.847 107.986 108.800 0.054 0.000 2.544 230 G HA2 0.449 4.409 3.960 -0.001 0.000 0.242 230 G HA3 0.449 4.409 3.960 -0.001 0.000 0.242 230 G C 1.100 176.108 174.900 0.180 0.000 1.247 230 G CA 0.979 46.123 45.100 0.073 0.000 0.840 230 G HN 0.796 nan 8.290 nan 0.000 0.578 231 T N 1.000 115.651 114.554 0.161 0.000 2.746 231 T HA -0.208 4.141 4.350 -0.001 0.000 0.267 231 T C 2.893 177.660 174.700 0.112 0.000 1.039 231 T CA 2.131 64.337 62.100 0.176 0.000 1.142 231 T CB -0.215 68.812 68.868 0.266 0.000 0.866 231 T HN 0.718 nan 8.240 nan 0.000 0.444 232 S N 0.892 116.654 115.700 0.104 0.000 2.383 232 S HA -0.126 4.344 4.470 -0.001 0.000 0.227 232 S C 2.146 176.762 174.600 0.028 0.000 1.026 232 S CA 1.636 59.871 58.200 0.058 0.000 0.981 232 S CB -0.930 62.308 63.200 0.064 0.000 0.818 232 S HN 0.446 nan 8.310 nan 0.000 0.472 233 T N 1.721 116.309 114.554 0.056 0.000 2.777 233 T HA 0.068 4.418 4.350 -0.001 0.000 0.266 233 T C 2.035 176.615 174.700 -0.200 0.000 1.040 233 T CA 1.335 63.431 62.100 -0.008 0.000 1.141 233 T CB -1.237 67.712 68.868 0.135 0.000 0.868 233 T HN 0.630 nan 8.240 nan 0.000 0.444 234 G N 1.936 110.660 108.800 -0.126 0.000 2.476 234 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.218 234 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.218 234 G C 1.574 176.349 174.900 -0.208 0.000 1.164 234 G CA 1.025 45.971 45.100 -0.257 0.000 0.768 234 G HN 0.444 nan 8.290 nan 0.000 0.560 235 K N 0.394 120.737 120.400 -0.094 0.000 2.074 235 K HA -0.130 4.190 4.320 -0.001 0.000 0.209 235 K C 2.606 179.143 176.600 -0.106 0.000 1.048 235 K CA 1.548 57.789 56.287 -0.077 0.000 0.926 235 K CB -0.141 32.335 32.500 -0.040 0.000 0.713 235 K HN 0.271 nan 8.250 nan 0.000 0.444 236 K N 0.392 120.714 120.400 -0.129 0.000 2.025 236 K HA -0.091 4.229 4.320 -0.001 0.000 0.207 236 K C 2.150 178.652 176.600 -0.163 0.000 1.049 236 K CA 1.298 57.510 56.287 -0.124 0.000 0.933 236 K CB -0.171 32.262 32.500 -0.111 0.000 0.714 236 K HN -0.051 nan 8.250 nan 0.000 0.438 237 V N 1.919 121.665 119.914 -0.281 0.000 2.287 237 V HA -0.286 3.834 4.120 -0.001 0.000 0.248 237 V C 2.409 178.384 176.094 -0.198 0.000 1.053 237 V CA 1.815 63.923 62.300 -0.320 0.000 1.027 237 V CB -0.399 31.015 31.823 -0.682 0.000 0.646 237 V HN 0.373 nan 8.190 nan 0.000 0.447 238 M N -0.301 119.190 119.600 -0.182 0.000 2.175 238 M HA -0.131 4.348 4.480 -0.001 0.000 0.264 238 M C 2.148 178.409 176.300 -0.066 0.000 1.063 238 M CA 1.987 57.229 55.300 -0.097 0.000 1.119 238 M CB -0.246 32.311 32.600 -0.072 0.000 1.377 238 M HN 0.385 nan 8.290 nan 0.000 0.415 239 A N -1.009 121.770 122.820 -0.069 0.000 1.898 239 A HA -0.164 4.155 4.320 -0.001 0.000 0.216 239 A C 2.159 179.720 177.584 -0.038 0.000 1.181 239 A CA 2.089 54.098 52.037 -0.046 0.000 0.620 239 A CB -0.982 17.991 19.000 -0.045 0.000 0.819 239 A HN 0.562 nan 8.150 nan 0.000 0.442 240 S N -0.376 115.296 115.700 -0.047 0.000 2.368 240 S HA -0.006 4.464 4.470 -0.001 0.000 0.224 240 S C 2.197 176.788 174.600 -0.015 0.000 1.029 240 S CA 1.484 59.666 58.200 -0.030 0.000 0.988 240 S CB -0.488 62.688 63.200 -0.040 0.000 0.838 240 S HN 0.812 nan 8.310 nan 0.000 0.462 241 A N 0.764 123.571 122.820 -0.023 0.000 1.940 241 A HA -0.035 4.284 4.320 -0.001 0.000 0.219 241 A C 2.387 179.971 177.584 0.000 0.000 1.176 241 A CA 2.130 54.166 52.037 -0.003 0.000 0.631 241 A CB -1.018 17.978 19.000 -0.006 0.000 0.814 241 A HN 0.585 nan 8.150 nan 0.000 0.446 242 S N 0.353 116.046 115.700 -0.011 0.000 2.338 242 S HA -0.141 4.329 4.470 -0.001 0.000 0.218 242 S C 2.379 176.976 174.600 -0.005 0.000 1.032 242 S CA 1.683 59.878 58.200 -0.008 0.000 0.999 242 S CB -0.556 62.635 63.200 -0.015 0.000 0.905 242 S HN 0.903 nan 8.310 nan 0.000 0.439 243 S N 2.296 117.992 115.700 -0.007 0.000 2.423 243 S HA -0.096 4.374 4.470 -0.001 0.000 0.231 243 S C 1.981 176.581 174.600 -0.001 0.000 1.014 243 S CA 1.261 59.458 58.200 -0.005 0.000 0.965 243 S CB -0.634 62.561 63.200 -0.007 0.000 0.785 243 S HN 0.588 nan 8.310 nan 0.000 0.495 244 S N 2.300 118.002 115.700 0.003 0.000 2.335 244 S HA 0.013 4.483 4.470 -0.001 0.000 0.217 244 S C 1.632 176.235 174.600 0.005 0.000 1.032 244 S CA 0.904 59.108 58.200 0.006 0.000 0.985 244 S CB -0.676 62.534 63.200 0.016 0.000 0.896 244 S HN 0.992 nan 8.310 nan 0.000 0.445 245 S N -0.296 115.411 115.700 0.012 0.000 3.088 245 S HA 0.401 4.870 4.470 -0.001 0.000 0.249 245 S C 0.292 174.902 174.600 0.015 0.000 0.877 245 S CA -0.309 57.900 58.200 0.014 0.000 1.184 245 S CB -0.190 63.024 63.200 0.024 0.000 1.170 245 S HN 0.498 nan 8.310 nan 0.000 0.603 246 L N 1.195 122.425 121.223 0.010 0.000 3.597 246 L HA -0.175 4.164 4.340 -0.001 0.000 0.440 246 L C -0.318 176.559 176.870 0.013 0.000 1.277 246 L CA 0.781 55.626 54.840 0.007 0.000 0.852 246 L CB -1.265 40.797 42.059 0.005 0.000 1.708 246 L HN 0.581 nan 8.230 nan 0.000 0.885 247 K N 0.957 121.367 120.400 0.018 0.000 2.355 247 K HA 0.148 4.468 4.320 -0.001 0.000 0.270 247 K C 0.749 177.357 176.600 0.014 0.000 1.003 247 K CA -0.574 55.728 56.287 0.024 0.000 0.957 247 K CB 0.591 33.112 32.500 0.035 0.000 0.939 247 K HN 0.150 nan 8.250 nan 0.000 0.482 248 E N 1.295 121.502 120.200 0.013 0.000 2.418 248 E HA 0.077 4.426 4.350 -0.001 0.000 0.261 248 E C -0.210 176.388 176.600 -0.004 0.000 1.070 248 E CA -0.070 56.328 56.400 -0.003 0.000 0.931 248 E CB 0.814 30.506 29.700 -0.013 0.000 0.954 248 E HN 0.374 nan 8.360 nan 0.000 0.439 249 V N -1.111 118.792 119.914 -0.017 0.000 2.888 249 V HA 0.656 4.775 4.120 -0.001 0.000 0.309 249 V C -0.526 175.557 176.094 -0.018 0.000 1.114 249 V CA -0.765 61.533 62.300 -0.003 0.000 0.940 249 V CB 2.221 34.048 31.823 0.006 0.000 1.021 249 V HN 0.553 nan 8.190 nan 0.000 0.426 250 T N 6.241 120.804 114.554 0.014 0.000 2.863 250 T HA 0.769 5.119 4.350 -0.001 0.000 0.285 250 T C -0.546 174.220 174.700 0.110 0.000 1.009 250 T CA -0.531 61.586 62.100 0.029 0.000 0.989 250 T CB 1.510 70.393 68.868 0.025 0.000 1.004 250 T HN 0.763 nan 8.240 nan 0.000 0.455 251 M N 2.819 122.483 119.600 0.107 0.000 2.213 251 M HA 0.401 4.880 4.480 -0.001 0.000 0.286 251 M C -1.123 175.254 176.300 0.128 0.000 1.008 251 M CA -0.671 54.736 55.300 0.178 0.000 0.937 251 M CB 2.043 34.740 32.600 0.163 0.000 1.600 251 M HN 0.544 nan 8.290 nan 0.000 0.450 252 E N 3.758 124.024 120.200 0.110 0.000 2.114 252 E HA 0.685 5.035 4.350 -0.001 0.000 0.266 252 E C -0.617 175.998 176.600 0.025 0.000 0.896 252 E CA -0.158 56.279 56.400 0.060 0.000 0.750 252 E CB 1.741 31.472 29.700 0.051 0.000 1.121 252 E HN 0.525 nan 8.360 nan 0.000 0.413 253 L N 0.652 121.902 121.223 0.045 0.000 2.558 253 L HA 0.737 5.077 4.340 -0.001 0.000 0.260 253 L C 1.086 177.924 176.870 -0.053 0.000 1.130 253 L CA -1.277 53.585 54.840 0.036 0.000 1.049 253 L CB 0.457 42.594 42.059 0.129 0.000 1.758 253 L HN 0.542 nan 8.230 nan 0.000 0.555 254 G N -1.718 107.031 108.800 -0.085 0.000 2.532 254 G HA2 0.643 4.603 3.960 -0.001 0.000 0.291 254 G HA3 0.643 4.603 3.960 -0.001 0.000 0.291 254 G C -0.713 173.951 174.900 -0.393 0.000 1.349 254 G CA 0.016 44.956 45.100 -0.266 0.000 1.038 254 G HN 0.819 nan 8.290 nan 0.000 0.518 255 G N -1.687 106.719 108.800 -0.656 0.000 2.606 255 G HA2 0.496 4.456 3.960 -0.001 0.000 0.300 255 G HA3 0.496 4.456 3.960 -0.001 0.000 0.300 255 G C -1.493 172.986 174.900 -0.703 0.000 1.360 255 G CA -0.600 44.015 45.100 -0.808 0.000 0.783 255 G HN 0.598 nan 8.290 nan 0.000 0.484 256 K N 0.615 120.852 120.400 -0.271 0.000 3.098 256 K HA 0.492 4.812 4.320 -0.001 0.000 0.170 256 K C -0.312 176.350 176.600 0.103 0.000 1.106 256 K CA -0.265 56.010 56.287 -0.020 0.000 0.864 256 K CB 0.379 32.960 32.500 0.135 0.000 1.047 256 K HN 0.413 nan 8.250 nan 0.000 0.609 257 S N 3.473 119.246 115.700 0.123 0.000 2.549 257 S HA 0.307 4.777 4.470 -0.001 0.000 0.279 257 S C -2.394 172.362 174.600 0.261 0.000 1.321 257 S CA -0.835 57.504 58.200 0.231 0.000 1.054 257 S CB 0.627 64.050 63.200 0.372 0.000 0.899 257 S HN 0.404 nan 8.310 nan 0.000 0.497 258 P HA 0.365 nan 4.420 nan 0.000 0.294 258 P C -1.188 176.315 177.300 0.338 0.000 1.294 258 P CA -0.778 62.510 63.100 0.312 0.000 0.827 258 P CB 0.919 32.813 31.700 0.323 0.000 0.992 259 L N 4.904 126.250 121.223 0.205 0.000 2.295 259 L HA 0.440 4.780 4.340 -0.001 0.000 0.281 259 L C -0.579 176.359 176.870 0.113 0.000 1.018 259 L CA -0.607 54.320 54.840 0.145 0.000 0.841 259 L CB 0.178 42.149 42.059 -0.146 0.000 1.218 259 L HN 0.232 nan 8.230 nan 0.000 0.424 260 I N 6.546 127.128 120.570 0.020 0.000 2.291 260 I HA 0.235 4.405 4.170 -0.001 0.000 0.292 260 I C -0.224 175.697 176.117 -0.326 0.000 1.064 260 I CA -0.430 60.722 61.300 -0.247 0.000 1.269 260 I CB 0.594 38.216 38.000 -0.630 0.000 1.418 260 I HN 0.385 nan 8.210 nan 0.000 0.485 261 I N 6.972 127.407 120.570 -0.224 0.000 2.347 261 I HA 0.170 4.339 4.170 -0.001 0.000 0.294 261 I C 0.178 176.222 176.117 -0.122 0.000 1.090 261 I CA 0.005 61.203 61.300 -0.171 0.000 1.314 261 I CB -0.748 37.080 38.000 -0.286 0.000 1.423 261 I HN 0.291 nan 8.210 nan 0.000 0.503 262 F N 8.173 128.177 119.950 0.091 0.000 2.406 262 F HA 0.278 4.805 4.527 -0.001 0.000 0.327 262 F C -1.050 174.786 175.800 0.059 0.000 1.153 262 F CA -1.656 56.413 58.000 0.115 0.000 1.218 262 F CB -0.038 38.993 39.000 0.051 0.000 1.215 262 F HN 0.348 nan 8.300 nan 0.000 0.570 263 P HA -0.111 nan 4.420 nan 0.000 0.230 263 P C 0.669 177.998 177.300 0.049 0.000 1.158 263 P CA 1.080 64.212 63.100 0.053 0.000 0.769 263 P CB -0.036 31.574 31.700 -0.151 0.000 0.807 264 D N -0.775 119.673 120.400 0.079 0.000 2.349 264 D HA 0.030 4.670 4.640 -0.001 0.000 0.215 264 D C 0.637 176.976 176.300 0.064 0.000 1.016 264 D CA -0.084 53.946 54.000 0.050 0.000 0.870 264 D CB -0.520 40.297 40.800 0.029 0.000 0.917 264 D HN -0.017 nan 8.370 nan 0.000 0.524 265 A N 0.988 123.863 122.820 0.092 0.000 2.498 265 A HA 0.084 4.403 4.320 -0.001 0.000 0.239 265 A C -0.084 177.543 177.584 0.072 0.000 1.068 265 A CA -0.121 51.968 52.037 0.087 0.000 0.766 265 A CB -0.082 18.974 19.000 0.093 0.000 1.003 265 A HN 0.214 nan 8.150 nan 0.000 0.497 266 D N 1.420 121.861 120.400 0.069 0.000 2.401 266 D HA 0.189 4.829 4.640 -0.001 0.000 0.254 266 D C 0.941 177.296 176.300 0.093 0.000 1.192 266 D CA 0.041 54.082 54.000 0.069 0.000 0.885 266 D CB 0.240 41.075 40.800 0.057 0.000 1.147 266 D HN 0.426 nan 8.370 nan 0.000 0.478 267 L N 3.104 124.391 121.223 0.105 0.000 2.291 267 L HA -0.054 4.285 4.340 -0.001 0.000 0.214 267 L C 1.529 178.490 176.870 0.152 0.000 1.120 267 L CA 0.493 55.432 54.840 0.165 0.000 0.799 267 L CB -0.211 41.955 42.059 0.179 0.000 0.925 267 L HN 0.577 nan 8.230 nan 0.000 0.446 268 D N 0.155 120.610 120.400 0.092 0.000 2.097 268 D HA -0.195 4.444 4.640 -0.001 0.000 0.197 268 D C 2.171 178.515 176.300 0.074 0.000 0.984 268 D CA 1.029 55.069 54.000 0.065 0.000 0.826 268 D CB -0.040 40.785 40.800 0.042 0.000 0.973 268 D HN 0.242 nan 8.370 nan 0.000 0.460 269 R N 0.994 121.540 120.500 0.077 0.000 2.096 269 R HA -0.087 4.253 4.340 -0.001 0.000 0.235 269 R C 2.156 178.517 176.300 0.102 0.000 1.127 269 R CA 1.291 57.435 56.100 0.074 0.000 0.968 269 R CB -0.100 30.239 30.300 0.066 0.000 0.861 269 R HN 0.057 nan 8.270 nan 0.000 0.440 270 A N 0.906 123.811 122.820 0.142 0.000 1.877 270 A HA -0.116 4.204 4.320 -0.001 0.000 0.216 270 A C 2.373 180.146 177.584 0.314 0.000 1.186 270 A CA 1.737 53.894 52.037 0.200 0.000 0.620 270 A CB -0.788 18.335 19.000 0.204 0.000 0.822 270 A HN 0.537 nan 8.150 nan 0.000 0.443 271 A N 0.102 123.095 122.820 0.288 0.000 1.858 271 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 271 A C 1.800 179.413 177.584 0.049 0.000 1.190 271 A CA 1.958 54.057 52.037 0.103 0.000 0.617 271 A CB -0.763 18.206 19.000 -0.052 0.000 0.827 271 A HN 0.456 nan 8.150 nan 0.000 0.443 272 D N 0.117 120.546 120.400 0.048 0.000 2.126 272 D HA -0.182 4.457 4.640 -0.001 0.000 0.190 272 D C 1.821 178.137 176.300 0.027 0.000 1.001 272 D CA 1.584 55.605 54.000 0.034 0.000 0.841 272 D CB -0.460 40.360 40.800 0.034 0.000 0.949 272 D HN 0.529 nan 8.370 nan 0.000 0.446 273 I N 1.054 121.647 120.570 0.038 0.000 2.163 273 I HA -0.285 3.885 4.170 -0.001 0.000 0.243 273 I C 2.499 178.566 176.117 -0.082 0.000 1.085 273 I CA 1.241 62.547 61.300 0.010 0.000 1.347 273 I CB -0.251 37.789 38.000 0.066 0.000 1.044 273 I HN -0.061 nan 8.210 nan 0.000 0.408 274 A N 0.525 123.332 122.820 -0.022 0.000 1.908 274 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 274 A C 2.429 179.924 177.584 -0.149 0.000 1.181 274 A CA 2.300 54.288 52.037 -0.082 0.000 0.627 274 A CB -1.098 18.001 19.000 0.166 0.000 0.818 274 A HN 0.398 nan 8.150 nan 0.000 0.445 275 V N -3.517 116.376 119.914 -0.035 0.000 2.407 275 V HA -0.166 3.954 4.120 -0.001 0.000 0.245 275 V C 2.225 178.357 176.094 0.062 0.000 1.041 275 V CA 1.729 64.077 62.300 0.080 0.000 1.040 275 V CB -0.872 31.066 31.823 0.192 0.000 0.671 275 V HN 0.376 nan 8.190 nan 0.000 0.455 276 M N 1.152 120.762 119.600 0.016 0.000 2.202 276 M HA -0.016 4.464 4.480 -0.001 0.000 0.262 276 M C 2.306 178.547 176.300 -0.099 0.000 1.063 276 M CA 2.177 57.484 55.300 0.011 0.000 1.097 276 M CB -1.335 31.246 32.600 -0.032 0.000 1.382 276 M HN 0.600 nan 8.290 nan 0.000 0.413 277 A N -0.536 122.087 122.820 -0.328 0.000 2.169 277 A HA -0.016 4.304 4.320 -0.001 0.000 0.212 277 A C 1.835 179.142 177.584 -0.461 0.000 1.153 277 A CA 0.852 52.484 52.037 -0.675 0.000 0.756 277 A CB -0.334 17.796 19.000 -1.451 0.000 0.813 277 A HN 0.532 nan 8.150 nan 0.000 0.471 278 N N -2.033 116.399 118.700 -0.447 0.000 2.332 278 N HA 0.151 4.890 4.740 -0.001 0.000 0.190 278 N C -0.137 175.049 175.510 -0.541 0.000 1.117 278 N CA 0.560 53.224 53.050 -0.644 0.000 0.883 278 N CB 0.447 38.252 38.487 -1.136 0.000 1.089 278 N HN 0.426 nan 8.380 nan 0.000 0.480 279 F N -0.471 119.554 119.950 0.124 0.000 2.798 279 F HA 0.340 4.867 4.527 -0.001 0.000 0.328 279 F C 0.329 176.302 175.800 0.289 0.000 1.098 279 F CA -0.943 57.200 58.000 0.237 0.000 1.172 279 F CB -0.232 38.875 39.000 0.178 0.000 1.072 279 F HN -0.187 nan 8.300 nan 0.000 0.555 280 F N 1.160 121.233 119.950 0.206 0.000 2.496 280 F HA 0.261 4.788 4.527 -0.001 0.000 0.344 280 F C 1.566 177.404 175.800 0.064 0.000 1.155 280 F CA 0.292 58.373 58.000 0.135 0.000 1.302 280 F CB 0.599 39.662 39.000 0.106 0.000 1.159 280 F HN -0.013 nan 8.300 nan 0.000 0.595 281 S N 2.483 117.942 115.700 -0.402 0.000 3.486 281 S HA -0.266 4.204 4.470 -0.001 0.000 0.371 281 S C 0.536 174.956 174.600 -0.300 0.000 1.001 281 S CA 0.921 58.914 58.200 -0.345 0.000 1.164 281 S CB -1.831 61.252 63.200 -0.194 0.000 0.911 281 S HN 0.921 nan 8.310 nan 0.000 0.472 282 S N -1.668 113.791 115.700 -0.402 0.000 3.533 282 S HA -0.173 4.296 4.470 -0.001 0.000 0.347 282 S C 1.393 175.945 174.600 -0.079 0.000 1.101 282 S CA 1.036 58.905 58.200 -0.552 0.000 1.009 282 S CB -1.823 60.896 63.200 -0.802 0.000 0.916 282 S HN 2.415 nan 8.310 nan 0.000 0.496 283 G N 0.066 108.910 108.800 0.072 0.000 2.143 283 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.248 283 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.248 283 G C -0.057 174.800 174.900 -0.073 0.000 0.991 283 G CA 0.474 45.617 45.100 0.071 0.000 0.689 283 G HN 0.687 nan 8.290 nan 0.000 0.522 284 Q N -0.078 119.599 119.800 -0.206 0.000 2.341 284 Q HA 0.501 4.840 4.340 -0.001 0.000 0.325 284 Q C 0.497 176.276 176.000 -0.368 0.000 0.920 284 Q CA -0.272 55.139 55.803 -0.653 0.000 1.065 284 Q CB 1.234 29.693 28.738 -0.465 0.000 1.218 284 Q HN 0.408 nan 8.270 nan 0.000 0.434 288 N N 2.144 121.085 118.700 0.400 0.000 2.294 288 N HA 0.370 5.110 4.740 -0.001 0.000 0.248 288 N C 0.723 176.348 175.510 0.191 0.000 1.242 288 N CA 1.107 54.324 53.050 0.279 0.000 0.848 288 N CB 0.501 39.055 38.487 0.112 0.000 1.084 288 N HN 0.619 nan 8.380 nan 0.000 0.457 289 G N 0.021 108.674 108.800 -0.246 0.000 3.161 289 G HA2 0.194 4.154 3.960 -0.001 0.000 0.293 289 G HA3 0.194 4.154 3.960 -0.001 0.000 0.293 289 G C 0.975 175.687 174.900 -0.313 0.000 0.893 289 G CA -0.408 44.413 45.100 -0.464 0.000 1.756 289 G HN 0.616 nan 8.290 nan 0.000 0.549 290 T N -1.417 113.060 114.554 -0.129 0.000 3.044 290 T HA 0.183 4.533 4.350 -0.001 0.000 0.250 290 T C 1.051 175.684 174.700 -0.112 0.000 1.081 290 T CA -0.125 61.900 62.100 -0.124 0.000 1.040 290 T CB 0.349 69.179 68.868 -0.063 0.000 0.962 290 T HN 0.292 nan 8.240 nan 0.000 0.506 291 R N 1.566 122.009 120.500 -0.095 0.000 2.215 291 R HA 0.567 4.906 4.340 -0.001 0.000 0.337 291 R C -1.344 174.821 176.300 -0.225 0.000 1.010 291 R CA -0.462 55.527 56.100 -0.186 0.000 0.871 291 R CB 1.673 31.892 30.300 -0.134 0.000 1.134 291 R HN 0.132 nan 8.270 nan 0.000 0.477 292 V N 5.197 124.950 119.914 -0.268 0.000 2.350 292 V HA 0.292 4.412 4.120 -0.001 0.000 0.276 292 V C -0.282 175.645 176.094 -0.278 0.000 1.028 292 V CA -0.534 61.656 62.300 -0.183 0.000 0.860 292 V CB 0.461 32.250 31.823 -0.057 0.000 0.990 292 V HN 0.514 nan 8.190 nan 0.000 0.453 293 F N 5.508 125.415 119.950 -0.072 0.000 2.411 293 F HA 0.616 5.143 4.527 -0.001 0.000 0.350 293 F C 0.031 175.858 175.800 0.044 0.000 1.114 293 F CA -0.382 57.620 58.000 0.005 0.000 1.135 293 F CB 1.386 40.321 39.000 -0.109 0.000 1.120 293 F HN 0.335 nan 8.300 nan 0.000 0.495 294 I N 3.066 123.770 120.570 0.223 0.000 2.498 294 I HA 0.298 4.468 4.170 -0.001 0.000 0.290 294 I C -0.556 175.403 176.117 -0.263 0.000 1.032 294 I CA -0.601 60.673 61.300 -0.043 0.000 1.073 294 I CB 1.059 38.922 38.000 -0.229 0.000 1.251 294 I HN 0.536 nan 8.210 nan 0.000 0.426 295 H N 5.379 124.116 119.070 -0.554 0.000 2.928 295 H HA 0.189 4.745 4.556 -0.001 0.000 0.338 295 H C 1.355 176.464 175.328 -0.365 0.000 1.047 295 H CA 0.818 56.388 56.048 -0.797 0.000 1.435 295 H CB 0.820 30.270 29.762 -0.520 0.000 1.428 295 H HN 0.616 nan 8.280 nan 0.000 0.590 296 R N 1.903 121.826 120.500 -0.963 0.000 2.153 296 R HA -0.205 4.135 4.340 -0.001 0.000 0.252 296 R C 1.655 177.819 176.300 -0.225 0.000 1.158 296 R CA 2.038 57.847 56.100 -0.484 0.000 0.975 296 R CB -0.221 29.809 30.300 -0.451 0.000 0.871 296 R HN 0.738 nan 8.270 nan 0.000 0.450 297 S N -1.372 114.261 115.700 -0.111 0.000 2.575 297 S HA 0.045 4.515 4.470 -0.001 0.000 0.215 297 S C 1.332 175.975 174.600 0.072 0.000 0.966 297 S CA -0.111 58.119 58.200 0.050 0.000 0.911 297 S CB 0.553 63.838 63.200 0.141 0.000 0.780 297 S HN 0.404 nan 8.310 nan 0.000 0.514 298 Q N 0.366 120.206 119.800 0.067 0.000 2.282 298 Q HA 0.182 4.522 4.340 -0.001 0.000 0.206 298 Q C 1.975 178.027 176.000 0.087 0.000 0.878 298 Q CA -0.095 55.751 55.803 0.071 0.000 0.944 298 Q CB 0.070 28.844 28.738 0.060 0.000 1.100 298 Q HN 0.707 nan 8.270 nan 0.000 0.509 299 Q N 0.760 120.587 119.800 0.044 0.000 2.020 299 Q HA -0.202 4.138 4.340 -0.001 0.000 0.202 299 Q C 1.871 177.938 176.000 0.111 0.000 0.982 299 Q CA 1.632 57.482 55.803 0.078 0.000 0.838 299 Q CB -0.021 28.727 28.738 0.016 0.000 0.899 299 Q HN 0.382 nan 8.270 nan 0.000 0.423 300 A N 0.862 123.721 122.820 0.064 0.000 1.877 300 A HA -0.194 4.126 4.320 -0.001 0.000 0.216 300 A C 2.116 179.732 177.584 0.054 0.000 1.186 300 A CA 1.577 53.642 52.037 0.047 0.000 0.620 300 A CB -0.555 18.460 19.000 0.026 0.000 0.822 300 A HN 0.364 nan 8.150 nan 0.000 0.443 301 R N -2.001 118.542 120.500 0.072 0.000 2.096 301 R HA -0.115 4.224 4.340 -0.001 0.000 0.235 301 R C 1.911 178.273 176.300 0.104 0.000 1.127 301 R CA 1.650 57.794 56.100 0.073 0.000 0.968 301 R CB -0.444 29.902 30.300 0.078 0.000 0.861 301 R HN 0.594 nan 8.270 nan 0.000 0.440 302 F N 1.661 121.613 119.950 0.003 0.000 2.102 302 F HA -0.154 4.373 4.527 -0.001 0.000 0.298 302 F C 1.826 177.624 175.800 -0.004 0.000 1.105 302 F CA 1.627 59.629 58.000 0.003 0.000 1.239 302 F CB -0.135 38.869 39.000 0.007 0.000 0.991 302 F HN -0.001 nan 8.300 nan 0.000 0.474 303 E N 0.148 120.321 120.200 -0.044 0.000 2.097 303 E HA -0.257 4.093 4.350 -0.001 0.000 0.196 303 E C 2.342 178.845 176.600 -0.161 0.000 1.000 303 E CA 1.217 57.537 56.400 -0.134 0.000 0.804 303 E CB -0.473 29.215 29.700 -0.020 0.000 0.740 303 E HN 0.500 nan 8.360 nan 0.000 0.454 304 A N 1.329 124.090 122.820 -0.098 0.000 1.933 304 A HA -0.216 4.104 4.320 -0.001 0.000 0.218 304 A C 1.925 179.438 177.584 -0.119 0.000 1.175 304 A CA 1.390 53.375 52.037 -0.087 0.000 0.628 304 A CB -0.209 18.764 19.000 -0.045 0.000 0.814 304 A HN 0.050 nan 8.150 nan 0.000 0.444 305 K N -0.600 119.708 120.400 -0.153 0.000 2.076 305 K HA 0.004 4.324 4.320 -0.001 0.000 0.204 305 K C 1.907 178.367 176.600 -0.233 0.000 1.051 305 K CA 1.153 57.344 56.287 -0.160 0.000 0.949 305 K CB -0.338 32.095 32.500 -0.112 0.000 0.726 305 K HN 0.283 nan 8.250 nan 0.000 0.443 306 V N 2.045 121.719 119.914 -0.401 0.000 2.332 306 V HA -0.255 3.865 4.120 -0.001 0.000 0.248 306 V C 2.269 178.238 176.094 -0.208 0.000 1.055 306 V CA 1.504 63.589 62.300 -0.358 0.000 1.038 306 V CB -0.371 31.137 31.823 -0.525 0.000 0.651 306 V HN 0.249 nan 8.190 nan 0.000 0.450 307 L N 0.197 121.305 121.223 -0.192 0.000 2.017 307 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 307 L C 2.469 179.257 176.870 -0.138 0.000 1.073 307 L CA 2.407 57.156 54.840 -0.152 0.000 0.745 307 L CB -0.698 41.285 42.059 -0.127 0.000 0.894 307 L HN 0.420 nan 8.230 nan 0.000 0.432 308 E N -0.652 119.477 120.200 -0.120 0.000 2.070 308 E HA -0.313 4.036 4.350 -0.001 0.000 0.197 308 E C 2.324 178.861 176.600 -0.104 0.000 1.004 308 E CA 1.670 58.011 56.400 -0.100 0.000 0.805 308 E CB -0.048 29.604 29.700 -0.080 0.000 0.744 308 E HN 0.463 nan 8.360 nan 0.000 0.451 309 R N -0.302 120.134 120.500 -0.107 0.000 2.073 309 R HA -0.112 4.228 4.340 -0.001 0.000 0.234 309 R C 2.475 178.692 176.300 -0.138 0.000 1.134 309 R CA 1.392 57.435 56.100 -0.096 0.000 0.952 309 R CB -0.327 29.931 30.300 -0.070 0.000 0.850 309 R HN 0.093 nan 8.270 nan 0.000 0.433 310 V N 1.032 120.839 119.914 -0.178 0.000 2.407 310 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 310 V C 2.188 178.103 176.094 -0.298 0.000 1.055 310 V CA 1.745 63.869 62.300 -0.293 0.000 1.049 310 V CB -0.445 31.195 31.823 -0.305 0.000 0.662 310 V HN 0.373 nan 8.190 nan 0.000 0.455 311 Q N -0.167 119.504 119.800 -0.215 0.000 2.224 311 Q HA -0.162 4.177 4.340 -0.001 0.000 0.203 311 Q C 2.172 178.072 176.000 -0.167 0.000 0.970 311 Q CA 1.288 56.979 55.803 -0.187 0.000 0.865 311 Q CB -0.062 28.592 28.738 -0.140 0.000 0.922 311 Q HN 0.727 nan 8.270 nan 0.000 0.445 312 R N -0.113 120.298 120.500 -0.149 0.000 2.359 312 R HA 0.197 4.537 4.340 -0.001 0.000 0.231 312 R C 0.025 176.246 176.300 -0.131 0.000 0.913 312 R CA -0.183 55.847 56.100 -0.117 0.000 1.075 312 R CB -0.123 30.128 30.300 -0.082 0.000 1.087 312 R HN 0.067 nan 8.270 nan 0.000 0.515 313 I N 2.881 123.331 120.570 -0.200 0.000 2.683 313 I HA -0.039 4.131 4.170 -0.001 0.000 0.286 313 I C 0.457 176.464 176.117 -0.182 0.000 1.175 313 I CA 0.230 61.395 61.300 -0.224 0.000 1.429 313 I CB 0.577 38.318 38.000 -0.432 0.000 1.371 313 I HN 0.103 nan 8.210 nan 0.000 0.569 314 R N 7.001 127.448 120.500 -0.088 0.000 3.171 314 R HA 0.303 4.643 4.340 -0.001 0.000 0.241 314 R C -0.415 175.882 176.300 -0.005 0.000 1.421 314 R CA -0.561 55.510 56.100 -0.048 0.000 1.444 314 R CB 0.195 30.488 30.300 -0.012 0.000 1.247 314 R HN 0.547 nan 8.270 nan 0.000 0.636 315 L N 1.503 122.688 121.223 -0.063 0.000 2.453 315 L HA 0.384 4.724 4.340 -0.001 0.000 0.272 315 L C 0.402 177.192 176.870 -0.133 0.000 1.182 315 L CA 0.785 55.620 54.840 -0.008 0.000 0.858 315 L CB 0.540 42.523 42.059 -0.126 0.000 1.120 315 L HN 0.684 nan 8.230 nan 0.000 0.474 316 G N 3.106 111.869 108.800 -0.062 0.000 2.336 316 G HA2 0.000 3.960 3.960 -0.001 0.000 0.286 316 G HA3 0.000 3.960 3.960 -0.001 0.000 0.286 316 G C -1.696 173.358 174.900 0.257 0.000 1.269 316 G CA -0.560 44.554 45.100 0.023 0.000 0.873 316 G HN 0.574 nan 8.290 nan 0.000 0.494 317 D N 1.621 122.208 120.400 0.310 0.000 2.389 317 D HA 0.226 4.865 4.640 -0.001 0.000 0.263 317 D C -0.603 175.784 176.300 0.145 0.000 1.255 317 D CA -1.427 52.721 54.000 0.248 0.000 0.914 317 D CB 1.505 42.404 40.800 0.164 0.000 1.116 317 D HN 0.053 nan 8.370 nan 0.000 0.502 318 P HA -0.131 nan 4.420 nan 0.000 0.226 318 P C 0.941 178.254 177.300 0.022 0.000 1.153 318 P CA 0.854 63.974 63.100 0.033 0.000 0.777 318 P CB 0.377 32.068 31.700 -0.015 0.000 0.794 319 Q N -0.628 119.196 119.800 0.041 0.000 2.378 319 Q HA -0.032 4.307 4.340 -0.001 0.000 0.205 319 Q C 0.723 176.742 176.000 0.031 0.000 0.954 319 Q CA 0.222 56.044 55.803 0.032 0.000 0.901 319 Q CB -0.139 28.621 28.738 0.035 0.000 0.981 319 Q HN 0.203 nan 8.270 nan 0.000 0.483 320 D N 0.582 121.007 120.400 0.041 0.000 2.348 320 D HA -0.024 4.616 4.640 -0.001 0.000 0.253 320 D C 0.264 176.581 176.300 0.028 0.000 1.161 320 D CA 0.254 54.276 54.000 0.037 0.000 0.876 320 D CB 1.062 41.891 40.800 0.049 0.000 1.160 320 D HN 0.074 nan 8.370 nan 0.000 0.459 321 E N 2.288 122.501 120.200 0.023 0.000 2.265 321 E HA -0.182 4.168 4.350 -0.001 0.000 0.196 321 E C 0.817 177.430 176.600 0.022 0.000 0.996 321 E CA 0.818 57.230 56.400 0.020 0.000 0.832 321 E CB 0.134 29.845 29.700 0.018 0.000 0.756 321 E HN 0.488 nan 8.360 nan 0.000 0.491 322 N N -0.443 118.272 118.700 0.024 0.000 2.353 322 N HA -0.011 4.729 4.740 -0.001 0.000 0.185 322 N C -0.447 175.080 175.510 0.028 0.000 1.098 322 N CA 0.204 53.269 53.050 0.025 0.000 0.872 322 N CB 0.652 39.152 38.487 0.021 0.000 0.970 322 N HN -0.112 nan 8.380 nan 0.000 0.467 323 T N 1.151 115.725 114.554 0.033 0.000 2.834 323 T HA 0.026 4.376 4.350 -0.001 0.000 0.298 323 T C 0.903 175.620 174.700 0.029 0.000 0.966 323 T CA -0.060 62.064 62.100 0.040 0.000 1.141 323 T CB 0.438 69.337 68.868 0.051 0.000 0.905 323 T HN 0.391 nan 8.240 nan 0.000 0.535 324 N N 1.917 120.646 118.700 0.048 0.000 2.177 324 N HA 0.134 4.874 4.740 -0.001 0.000 0.218 324 N C -0.613 174.953 175.510 0.093 0.000 1.182 324 N CA -0.419 52.658 53.050 0.045 0.000 0.882 324 N CB 0.279 38.804 38.487 0.064 0.000 1.052 324 N HN 0.526 nan 8.380 nan 0.000 0.519 325 F N 0.252 120.150 119.950 -0.087 0.000 2.689 325 F HA 0.687 5.213 4.527 -0.001 0.000 0.332 325 F C -0.003 175.761 175.800 -0.060 0.000 1.209 325 F CA -0.837 57.105 58.000 -0.096 0.000 1.028 325 F CB 1.262 40.202 39.000 -0.100 0.000 1.291 325 F HN 0.033 nan 8.300 nan 0.000 0.500 326 G N 4.564 113.133 108.800 -0.386 0.000 2.795 326 G HA2 0.677 4.637 3.960 -0.001 0.000 0.267 326 G HA3 0.677 4.637 3.960 -0.001 0.000 0.267 326 G C -2.921 171.715 174.900 -0.439 0.000 1.362 326 G CA -1.736 43.222 45.100 -0.236 0.000 1.048 326 G HN 0.374 nan 8.290 nan 0.000 0.547 327 P HA 0.222 nan 4.420 nan 0.000 0.275 327 P C 0.075 177.036 177.300 -0.565 0.000 1.266 327 P CA -0.379 62.158 63.100 -0.938 0.000 0.793 327 P CB 0.887 31.863 31.700 -1.206 0.000 1.074 328 L N -0.082 120.858 121.223 -0.471 0.000 2.479 328 L HA 0.107 4.447 4.340 -0.001 0.000 0.248 328 L C 2.253 178.929 176.870 -0.323 0.000 1.205 328 L CA -0.393 54.257 54.840 -0.317 0.000 0.817 328 L CB 0.009 41.931 42.059 -0.228 0.000 1.162 328 L HN 0.106 nan 8.230 nan 0.000 0.486 329 V N -0.031 119.735 119.914 -0.247 0.000 2.720 329 V HA -0.106 4.013 4.120 -0.001 0.000 0.256 329 V C 0.828 176.731 176.094 -0.318 0.000 1.082 329 V CA 1.638 63.760 62.300 -0.297 0.000 1.101 329 V CB 0.041 31.595 31.823 -0.448 0.000 0.693 329 V HN 0.937 nan 8.190 nan 0.000 0.479 330 S N -3.389 112.111 115.700 -0.333 0.000 2.595 330 S HA 0.393 4.863 4.470 -0.001 0.000 0.270 330 S C -0.101 174.338 174.600 -0.268 0.000 1.145 330 S CA -0.391 57.661 58.200 -0.247 0.000 0.825 330 S CB 0.471 63.562 63.200 -0.182 0.000 1.107 330 S HN 0.029 nan 8.310 nan 0.000 0.461 331 F N 0.754 120.658 119.950 -0.077 0.000 2.146 331 F HA 0.172 4.699 4.527 -0.001 0.000 0.298 331 F C -0.789 174.989 175.800 -0.035 0.000 1.096 331 F CA 1.120 59.090 58.000 -0.050 0.000 1.275 331 F CB -1.786 37.195 39.000 -0.032 0.000 1.008 331 F HN 0.420 nan 8.300 nan 0.000 0.480 332 P HA -0.203 nan 4.420 nan 0.000 0.216 332 P C 1.235 178.577 177.300 0.071 0.000 1.150 332 P CA 1.756 64.901 63.100 0.075 0.000 0.837 332 P CB -0.122 31.605 31.700 0.046 0.000 0.786 333 H N -0.889 118.126 119.070 -0.090 0.000 2.353 333 H HA -0.066 4.490 4.556 -0.001 0.000 0.300 333 H C 1.979 177.285 175.328 -0.036 0.000 1.090 333 H CA 1.613 57.608 56.048 -0.088 0.000 1.327 333 H CB -0.871 28.738 29.762 -0.254 0.000 1.383 333 H HN -0.058 nan 8.280 nan 0.000 0.508 334 M N 0.047 119.554 119.600 -0.156 0.000 2.080 334 M HA -0.209 4.271 4.480 -0.001 0.000 0.260 334 M C 1.845 178.107 176.300 -0.064 0.000 1.068 334 M CA 2.233 57.439 55.300 -0.158 0.000 1.109 334 M CB -0.038 32.474 32.600 -0.146 0.000 1.342 334 M HN 0.326 nan 8.290 nan 0.000 0.405 335 E N -0.464 119.734 120.200 -0.004 0.000 2.204 335 E HA -0.157 4.192 4.350 -0.001 0.000 0.194 335 E C 2.022 178.629 176.600 0.012 0.000 0.989 335 E CA 1.346 57.758 56.400 0.020 0.000 0.824 335 E CB 0.004 29.729 29.700 0.042 0.000 0.756 335 E HN 0.584 nan 8.360 nan 0.000 0.477 336 S N -0.500 115.212 115.700 0.020 0.000 2.387 336 S HA -0.093 4.377 4.470 -0.001 0.000 0.226 336 S C 1.989 176.649 174.600 0.099 0.000 1.026 336 S CA 0.865 59.094 58.200 0.048 0.000 0.972 336 S CB -0.042 63.246 63.200 0.146 0.000 0.814 336 S HN 0.099 nan 8.310 nan 0.000 0.477 337 V N 2.179 122.127 119.914 0.056 0.000 2.307 337 V HA -0.079 4.041 4.120 -0.001 0.000 0.245 337 V C 2.487 178.670 176.094 0.147 0.000 1.045 337 V CA 1.747 64.121 62.300 0.123 0.000 1.024 337 V CB -0.756 31.037 31.823 -0.051 0.000 0.651 337 V HN 0.481 nan 8.190 nan 0.000 0.449 338 L N 0.535 121.801 121.223 0.072 0.000 2.127 338 L HA -0.123 4.217 4.340 -0.001 0.000 0.211 338 L C 2.596 179.506 176.870 0.067 0.000 1.089 338 L CA 1.702 56.586 54.840 0.073 0.000 0.757 338 L CB -1.100 40.987 42.059 0.046 0.000 0.899 338 L HN 0.487 nan 8.230 nan 0.000 0.434 339 G N -1.251 107.560 108.800 0.018 0.000 2.408 339 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.217 339 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.217 339 G C 1.290 176.145 174.900 -0.076 0.000 1.150 339 G CA 0.384 45.449 45.100 -0.058 0.000 0.776 339 G HN 0.216 nan 8.290 nan 0.000 0.542 340 Y N 0.763 121.096 120.300 0.054 0.000 2.145 340 Y HA -0.025 4.525 4.550 -0.001 0.000 0.286 340 Y C 2.789 178.730 175.900 0.068 0.000 1.145 340 Y CA 0.799 58.933 58.100 0.056 0.000 1.148 340 Y CB -0.383 38.122 38.460 0.076 0.000 0.981 340 Y HN 0.113 nan 8.280 nan 0.000 0.507 341 I N -0.301 120.441 120.570 0.286 0.000 2.118 341 I HA -0.324 3.846 4.170 -0.001 0.000 0.241 341 I C 2.329 178.588 176.117 0.236 0.000 1.070 341 I CA 1.468 62.962 61.300 0.324 0.000 1.327 341 I CB -0.338 37.819 38.000 0.262 0.000 1.034 341 I HN 0.187 nan 8.210 nan 0.000 0.405 342 E N 0.351 120.632 120.200 0.134 0.000 2.085 342 E HA -0.228 4.122 4.350 -0.001 0.000 0.194 342 E C 2.264 178.888 176.600 0.041 0.000 0.994 342 E CA 1.578 58.027 56.400 0.082 0.000 0.801 342 E CB -0.589 29.137 29.700 0.042 0.000 0.743 342 E HN 0.376 nan 8.360 nan 0.000 0.453 343 S N -0.017 115.694 115.700 0.018 0.000 2.365 343 S HA -0.173 4.296 4.470 -0.001 0.000 0.225 343 S C 2.113 176.668 174.600 -0.075 0.000 1.039 343 S CA 1.949 60.141 58.200 -0.013 0.000 1.033 343 S CB -0.574 62.633 63.200 0.011 0.000 0.887 343 S HN 0.384 nan 8.310 nan 0.000 0.447 344 G N 0.608 109.298 108.800 -0.183 0.000 2.422 344 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.218 344 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.218 344 G C 1.580 176.268 174.900 -0.353 0.000 1.146 344 G CA 0.723 45.504 45.100 -0.532 0.000 0.769 344 G HN 0.568 nan 8.290 nan 0.000 0.547 345 K N 0.375 120.731 120.400 -0.072 0.000 2.103 345 K HA 0.173 4.493 4.320 -0.001 0.000 0.204 345 K C 2.906 179.527 176.600 0.034 0.000 1.052 345 K CA 0.785 57.129 56.287 0.095 0.000 0.945 345 K CB -0.116 32.488 32.500 0.173 0.000 0.722 345 K HN 0.245 nan 8.250 nan 0.000 0.443 346 A N 1.319 124.143 122.820 0.008 0.000 1.969 346 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 346 A C 1.738 179.316 177.584 -0.010 0.000 1.169 346 A CA 1.219 53.258 52.037 0.003 0.000 0.635 346 A CB -0.220 18.780 19.000 -0.000 0.000 0.810 346 A HN 0.292 nan 8.150 nan 0.000 0.445 347 Q N -1.402 118.376 119.800 -0.036 0.000 2.360 347 Q HA 0.142 4.481 4.340 -0.001 0.000 0.202 347 Q C -0.486 175.493 176.000 -0.035 0.000 0.915 347 Q CA 0.122 55.902 55.803 -0.038 0.000 0.943 347 Q CB 0.213 28.918 28.738 -0.055 0.000 1.064 347 Q HN 0.588 nan 8.270 nan 0.000 0.511 348 K N -0.397 119.989 120.400 -0.024 0.000 3.218 348 K HA -0.147 4.173 4.320 -0.001 0.000 0.276 348 K C -0.606 176.003 176.600 0.014 0.000 1.173 348 K CA 0.163 56.456 56.287 0.010 0.000 0.812 348 K CB -1.480 31.029 32.500 0.014 0.000 1.275 348 K HN 0.347 nan 8.250 nan 0.000 0.504 349 A N 1.248 124.055 122.820 -0.023 0.000 2.386 349 A HA 0.301 4.621 4.320 -0.001 0.000 0.248 349 A C 0.324 178.037 177.584 0.215 0.000 1.082 349 A CA -0.068 51.989 52.037 0.034 0.000 0.789 349 A CB 0.395 19.293 19.000 -0.171 0.000 1.025 349 A HN 0.387 nan 8.150 nan 0.000 0.490 350 R N 1.587 122.218 120.500 0.219 0.000 2.267 350 R HA 0.324 4.664 4.340 -0.001 0.000 0.319 350 R C -0.737 175.696 176.300 0.223 0.000 1.067 350 R CA -0.528 55.683 56.100 0.185 0.000 0.936 350 R CB 0.169 30.526 30.300 0.095 0.000 1.006 350 R HN 0.617 nan 8.270 nan 0.000 0.452 351 L N 6.109 127.408 121.223 0.128 0.000 2.485 351 L HA 0.064 4.403 4.340 -0.001 0.000 0.279 351 L C 0.440 177.230 176.870 -0.133 0.000 1.124 351 L CA 0.280 55.036 54.840 -0.141 0.000 0.888 351 L CB 0.787 42.762 42.059 -0.140 0.000 1.217 351 L HN 0.837 nan 8.230 nan 0.000 0.464 352 L N 5.889 127.009 121.223 -0.171 0.000 2.102 352 L HA 0.175 4.515 4.340 -0.001 0.000 0.202 352 L C 0.507 177.289 176.870 -0.148 0.000 1.076 352 L CA 1.283 56.051 54.840 -0.120 0.000 0.761 352 L CB 0.154 42.159 42.059 -0.091 0.000 0.921 352 L HN 0.875 nan 8.230 nan 0.000 0.444 353 C N -3.910 115.268 119.300 -0.203 0.000 3.306 353 C HA 0.788 5.247 4.460 -0.001 0.000 0.335 353 C C 0.722 175.567 174.990 -0.241 0.000 1.382 353 C CA -0.871 58.026 59.018 -0.201 0.000 1.254 353 C CB 0.813 28.438 27.740 -0.192 0.000 1.555 353 C HN 0.898 nan 8.230 nan 0.000 0.463 354 G N 0.392 109.063 108.800 -0.215 0.000 2.547 354 G HA2 0.344 4.304 3.960 -0.001 0.000 0.271 354 G HA3 0.344 4.304 3.960 -0.001 0.000 0.271 354 G C 1.129 175.929 174.900 -0.167 0.000 1.209 354 G CA 2.055 47.036 45.100 -0.199 0.000 0.959 354 G HN 3.280 nan 8.290 nan 0.000 0.563 355 G N -1.012 107.708 108.800 -0.134 0.000 2.159 355 G HA2 0.248 4.208 3.960 -0.001 0.000 0.227 355 G HA3 0.248 4.208 3.960 -0.001 0.000 0.227 355 G C 0.162 175.054 174.900 -0.013 0.000 0.986 355 G CA 1.662 46.710 45.100 -0.086 0.000 0.651 355 G HN 2.169 nan 8.290 nan 0.000 0.523 356 E N -0.808 119.381 120.200 -0.018 0.000 2.429 356 E HA 0.614 4.964 4.350 -0.001 0.000 0.276 356 E C -0.309 176.301 176.600 0.017 0.000 0.953 356 E CA -1.270 55.135 56.400 0.007 0.000 0.787 356 E CB 1.293 30.993 29.700 0.000 0.000 1.307 356 E HN 0.246 nan 8.360 nan 0.000 0.458 357 R N 1.105 121.626 120.500 0.037 0.000 2.543 357 R HA 0.263 4.603 4.340 -0.001 0.000 0.277 357 R C -0.894 175.438 176.300 0.053 0.000 1.074 357 R CA -0.349 55.786 56.100 0.058 0.000 1.076 357 R CB 0.893 31.237 30.300 0.073 0.000 0.993 357 R HN 0.375 nan 8.270 nan 0.000 0.459 358 V N 4.687 124.641 119.914 0.068 0.000 2.364 358 V HA 0.126 4.246 4.120 -0.001 0.000 0.272 358 V C 1.022 177.180 176.094 0.106 0.000 1.036 358 V CA 0.005 62.321 62.300 0.027 0.000 0.880 358 V CB 1.212 32.969 31.823 -0.110 0.000 0.991 358 V HN 1.067 nan 8.190 nan 0.000 0.460 359 T N -0.719 113.902 114.554 0.112 0.000 3.043 359 T HA 0.168 4.518 4.350 -0.001 0.000 0.272 359 T C 0.258 175.025 174.700 0.112 0.000 0.990 359 T CA -0.376 61.803 62.100 0.132 0.000 0.897 359 T CB 0.005 68.929 68.868 0.093 0.000 1.111 359 T HN 0.549 nan 8.240 nan 0.000 0.529 360 D N 2.607 123.083 120.400 0.126 0.000 2.417 360 D HA 0.390 5.030 4.640 -0.001 0.000 0.250 360 D C 1.405 177.671 176.300 -0.056 0.000 1.166 360 D CA 1.240 55.273 54.000 0.056 0.000 0.881 360 D CB 1.056 41.903 40.800 0.077 0.000 1.164 360 D HN 0.496 nan 8.370 nan 0.000 0.467 361 G N 2.684 111.426 108.800 -0.096 0.000 2.622 361 G HA2 -0.393 3.567 3.960 -0.001 0.000 0.307 361 G HA3 -0.393 3.567 3.960 -0.001 0.000 0.307 361 G C 1.103 175.878 174.900 -0.208 0.000 1.226 361 G CA 0.900 45.894 45.100 -0.177 0.000 0.997 361 G HN 0.666 nan 8.290 nan 0.000 0.551 362 A N -0.994 121.606 122.820 -0.366 0.000 2.067 362 A HA 0.342 4.661 4.320 -0.001 0.000 0.219 362 A C 2.166 179.650 177.584 -0.167 0.000 1.158 362 A CA 2.286 54.155 52.037 -0.279 0.000 0.661 362 A CB -0.489 18.333 19.000 -0.297 0.000 0.801 362 A HN 0.835 nan 8.150 nan 0.000 0.452 363 F N 0.494 120.396 119.950 -0.079 0.000 2.307 363 F HA -0.029 4.498 4.527 -0.001 0.000 0.301 363 F C 2.438 178.305 175.800 0.111 0.000 1.076 363 F CA 0.339 58.272 58.000 -0.112 0.000 1.383 363 F CB -1.271 37.470 39.000 -0.430 0.000 1.055 363 F HN 0.260 nan 8.300 nan 0.000 0.526 364 G N -0.088 108.834 108.800 0.203 0.000 2.498 364 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.219 364 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.219 364 G C 1.653 176.677 174.900 0.207 0.000 1.119 364 G CA 0.319 45.528 45.100 0.183 0.000 0.766 364 G HN 0.313 nan 8.290 nan 0.000 0.552 365 K N 0.144 120.668 120.400 0.208 0.000 2.444 365 K HA 0.172 4.491 4.320 -0.001 0.000 0.193 365 K C 1.182 178.006 176.600 0.373 0.000 1.024 365 K CA 0.145 56.562 56.287 0.216 0.000 1.077 365 K CB 0.714 33.289 32.500 0.125 0.000 0.833 365 K HN 0.247 nan 8.250 nan 0.000 0.517 366 G N 0.109 109.171 108.800 0.438 0.000 2.644 366 G HA2 0.500 4.460 3.960 -0.001 0.000 0.307 366 G HA3 0.500 4.460 3.960 -0.001 0.000 0.307 366 G C -1.073 173.871 174.900 0.073 0.000 1.250 366 G CA -0.746 44.541 45.100 0.313 0.000 0.996 366 G HN 0.074 nan 8.290 nan 0.000 0.489 367 A N 0.317 122.782 122.820 -0.591 0.000 3.215 367 A HA 0.574 4.894 4.320 -0.001 0.000 0.269 367 A C -0.863 176.449 177.584 -0.453 0.000 1.517 367 A CA -0.488 51.141 52.037 -0.679 0.000 1.221 367 A CB -0.787 17.506 19.000 -1.178 0.000 1.160 367 A HN 0.467 nan 8.150 nan 0.000 0.620 368 Y N -0.155 120.070 120.300 -0.125 0.000 2.327 368 Y HA 0.442 4.992 4.550 -0.001 0.000 0.336 368 Y C 0.195 176.063 175.900 -0.054 0.000 1.035 368 Y CA -0.336 57.707 58.100 -0.096 0.000 1.165 368 Y CB 1.581 39.979 38.460 -0.105 0.000 1.181 368 Y HN 0.169 nan 8.280 nan 0.000 0.494 369 V N 3.722 123.702 119.914 0.109 0.000 2.444 369 V HA 0.574 4.694 4.120 -0.001 0.000 0.294 369 V C 0.055 176.239 176.094 0.150 0.000 1.022 369 V CA -1.392 60.965 62.300 0.094 0.000 0.850 369 V CB 1.258 33.112 31.823 0.051 0.000 0.992 369 V HN 0.942 nan 8.190 nan 0.000 0.426 370 A N 7.734 130.577 122.820 0.038 0.000 2.561 370 A HA 0.423 4.743 4.320 -0.001 0.000 0.234 370 A C -2.238 175.258 177.584 -0.146 0.000 1.055 370 A CA -0.634 51.345 52.037 -0.096 0.000 0.756 370 A CB -0.390 18.526 19.000 -0.140 0.000 0.986 370 A HN 0.637 nan 8.150 nan 0.000 0.505 371 P HA 0.151 nan 4.420 nan 0.000 0.262 371 P C -0.396 176.660 177.300 -0.407 0.000 1.199 371 P CA 0.594 63.300 63.100 -0.656 0.000 0.763 371 P CB 0.368 31.160 31.700 -1.514 0.000 0.790 372 T N 2.836 117.354 114.554 -0.060 0.000 2.841 372 T HA 0.463 4.813 4.350 -0.001 0.000 0.283 372 T C -0.380 174.355 174.700 0.058 0.000 1.000 372 T CA -0.454 61.605 62.100 -0.069 0.000 0.977 372 T CB 1.198 70.041 68.868 -0.042 0.000 0.979 372 T HN -0.006 nan 8.240 nan 0.000 0.446 373 V N 3.815 123.657 119.914 -0.119 0.000 2.483 373 V HA 0.544 4.663 4.120 -0.001 0.000 0.297 373 V C -1.088 174.868 176.094 -0.230 0.000 1.027 373 V CA -0.871 61.397 62.300 -0.053 0.000 0.855 373 V CB 1.158 32.981 31.823 -0.000 0.000 0.995 373 V HN 0.782 nan 8.190 nan 0.000 0.424 374 F N 2.390 122.359 119.950 0.031 0.000 2.450 374 F HA 0.763 5.290 4.527 -0.001 0.000 0.332 374 F C 0.594 176.397 175.800 0.006 0.000 1.093 374 F CA -0.123 57.886 58.000 0.015 0.000 1.003 374 F CB 2.232 41.241 39.000 0.015 0.000 1.151 374 F HN 0.475 nan 8.300 nan 0.000 0.474 375 T N 0.176 114.857 114.554 0.212 0.000 2.838 375 T HA 0.351 4.700 4.350 -0.001 0.000 0.292 375 T C -1.219 173.541 174.700 0.101 0.000 1.113 375 T CA -0.518 61.653 62.100 0.120 0.000 1.008 375 T CB 0.933 69.848 68.868 0.079 0.000 1.259 375 T HN 0.605 nan 8.240 nan 0.000 0.520 376 D N 0.360 120.796 120.400 0.060 0.000 2.800 376 D HA -0.136 4.503 4.640 -0.001 0.000 0.232 376 D C 0.032 176.350 176.300 0.031 0.000 1.137 376 D CA 0.445 54.469 54.000 0.041 0.000 0.718 376 D CB -2.102 38.723 40.800 0.042 0.000 1.084 376 D HN 0.533 nan 8.370 nan 0.000 0.432 377 C N 0.504 119.815 119.300 0.018 0.000 2.595 377 C HA 0.546 5.006 4.460 -0.001 0.000 0.384 377 C C 1.224 176.209 174.990 -0.009 0.000 1.289 377 C CA -0.590 58.423 59.018 -0.008 0.000 2.372 377 C CB 0.717 28.439 27.740 -0.030 0.000 2.593 377 C HN 0.190 nan 8.230 nan 0.000 0.639 378 R N 1.362 121.855 120.500 -0.010 0.000 2.750 378 R HA 0.322 4.662 4.340 -0.001 0.000 0.281 378 R C -0.371 175.937 176.300 0.013 0.000 0.972 378 R CA -0.726 55.381 56.100 0.010 0.000 0.912 378 R CB 1.009 31.317 30.300 0.014 0.000 1.187 378 R HN 0.522 nan 8.270 nan 0.000 0.464 379 D N 1.382 121.807 120.400 0.042 0.000 2.221 379 D HA -0.174 4.466 4.640 -0.001 0.000 0.204 379 D C 1.062 177.388 176.300 0.042 0.000 0.982 379 D CA 1.693 55.728 54.000 0.058 0.000 0.857 379 D CB 0.003 40.856 40.800 0.089 0.000 0.934 379 D HN 0.635 nan 8.370 nan 0.000 0.475 380 D N -0.761 119.658 120.400 0.031 0.000 2.340 380 D HA -0.066 4.573 4.640 -0.001 0.000 0.220 380 D C 0.622 176.932 176.300 0.017 0.000 1.039 380 D CA -0.125 53.891 54.000 0.026 0.000 0.866 380 D CB -0.438 40.377 40.800 0.024 0.000 0.913 380 D HN 0.142 nan 8.370 nan 0.000 0.523 381 M N 0.679 120.282 119.600 0.004 0.000 2.238 381 M HA 0.071 4.550 4.480 -0.001 0.000 0.347 381 M C 1.292 177.596 176.300 0.007 0.000 1.173 381 M CA -0.060 55.232 55.300 -0.013 0.000 1.147 381 M CB 1.187 33.755 32.600 -0.053 0.000 1.547 381 M HN -0.181 nan 8.290 nan 0.000 0.455 382 T N 3.165 117.732 114.554 0.022 0.000 2.665 382 T HA -0.182 4.167 4.350 -0.001 0.000 0.268 382 T C 1.560 176.314 174.700 0.090 0.000 1.035 382 T CA 2.096 64.244 62.100 0.080 0.000 1.151 382 T CB -0.566 68.366 68.868 0.106 0.000 0.862 382 T HN 0.784 nan 8.240 nan 0.000 0.438 383 I N -0.093 120.496 120.570 0.031 0.000 2.454 383 I HA -0.065 4.105 4.170 -0.001 0.000 0.254 383 I C 2.122 178.210 176.117 -0.049 0.000 1.156 383 I CA 1.005 62.288 61.300 -0.029 0.000 1.433 383 I CB -0.660 37.270 38.000 -0.117 0.000 1.082 383 I HN 0.033 nan 8.210 nan 0.000 0.432 384 V N 1.029 120.925 119.914 -0.030 0.000 2.446 384 V HA -0.028 4.092 4.120 -0.001 0.000 0.244 384 V C 2.720 178.832 176.094 0.030 0.000 1.039 384 V CA 1.418 63.708 62.300 -0.016 0.000 1.045 384 V CB -0.705 31.104 31.823 -0.023 0.000 0.681 384 V HN 0.357 nan 8.190 nan 0.000 0.459 385 R N 0.007 120.537 120.500 0.050 0.000 2.090 385 R HA 0.037 4.377 4.340 -0.001 0.000 0.228 385 R C 0.593 176.974 176.300 0.134 0.000 1.110 385 R CA 0.705 56.858 56.100 0.087 0.000 0.973 385 R CB 0.109 30.453 30.300 0.075 0.000 0.869 385 R HN 0.567 nan 8.270 nan 0.000 0.440 386 E N 0.757 121.016 120.200 0.098 0.000 2.202 386 E HA 0.100 4.450 4.350 -0.001 0.000 0.272 386 E C -1.005 175.582 176.600 -0.022 0.000 0.951 386 E CA -0.438 56.033 56.400 0.117 0.000 0.813 386 E CB 1.853 31.655 29.700 0.170 0.000 1.151 386 E HN 0.062 nan 8.360 nan 0.000 0.398 387 E N 2.796 123.014 120.200 0.031 0.000 2.344 387 E HA 0.034 4.383 4.350 -0.001 0.000 0.270 387 E C 0.061 176.563 176.600 -0.164 0.000 1.021 387 E CA 0.111 56.456 56.400 -0.093 0.000 0.887 387 E CB 0.550 30.156 29.700 -0.157 0.000 0.997 387 E HN 0.520 nan 8.360 nan 0.000 0.429 388 I N 3.787 124.259 120.570 -0.162 0.000 3.136 388 I HA 0.043 4.213 4.170 -0.001 0.000 0.262 388 I C 0.143 176.425 176.117 0.276 0.000 1.132 388 I CA -0.158 61.015 61.300 -0.211 0.000 1.450 388 I CB 0.309 38.126 38.000 -0.305 0.000 1.315 388 I HN 0.629 nan 8.210 nan 0.000 0.460 389 F N 2.041 122.045 119.950 0.090 0.000 3.006 389 F HA -0.083 4.444 4.527 -0.001 0.000 0.318 389 F C 0.058 176.069 175.800 0.353 0.000 0.936 389 F CA 0.504 58.660 58.000 0.261 0.000 1.151 389 F CB -1.318 37.909 39.000 0.378 0.000 1.212 389 F HN 0.188 nan 8.300 nan 0.000 0.687 390 G N -0.055 108.856 108.800 0.186 0.000 2.645 390 G HA2 0.656 4.616 3.960 -0.001 0.000 0.292 390 G HA3 0.656 4.616 3.960 -0.001 0.000 0.292 390 G C -3.219 171.761 174.900 0.133 0.000 1.415 390 G CA -0.722 44.428 45.100 0.084 0.000 0.785 390 G HN -0.121 nan 8.290 nan 0.000 0.483 391 P HA 0.368 nan 4.420 nan 0.000 0.231 391 P C -0.680 176.858 177.300 0.396 0.000 1.811 391 P CA -0.244 63.105 63.100 0.417 0.000 1.051 391 P CB 0.529 32.637 31.700 0.680 0.000 1.951 392 V N 4.001 124.037 119.914 0.203 0.000 2.419 392 V HA 0.341 4.461 4.120 -0.001 0.000 0.287 392 V C 0.224 176.354 176.094 0.059 0.000 1.017 392 V CA -0.619 61.793 62.300 0.187 0.000 0.844 392 V CB 1.970 33.916 31.823 0.206 0.000 1.011 392 V HN 0.379 nan 8.190 nan 0.000 0.429 393 M N 3.467 123.090 119.600 0.037 0.000 2.233 393 M HA 0.516 4.995 4.480 -0.001 0.000 0.355 393 M C -0.349 175.995 176.300 0.074 0.000 1.191 393 M CA 0.238 55.510 55.300 -0.047 0.000 1.101 393 M CB 1.308 33.843 32.600 -0.107 0.000 1.592 393 M HN 0.601 nan 8.290 nan 0.000 0.461 394 S N 6.135 121.845 115.700 0.018 0.000 2.566 394 S HA 0.534 5.003 4.470 -0.001 0.000 0.324 394 S C -0.483 174.091 174.600 -0.043 0.000 1.081 394 S CA -0.663 57.557 58.200 0.034 0.000 1.105 394 S CB 0.615 63.803 63.200 -0.020 0.000 0.981 394 S HN 0.654 nan 8.310 nan 0.000 0.464 395 I N 3.987 124.563 120.570 0.009 0.000 2.342 395 I HA 0.343 4.513 4.170 -0.001 0.000 0.291 395 I C -0.809 175.264 176.117 -0.073 0.000 1.010 395 I CA -0.474 60.818 61.300 -0.013 0.000 1.308 395 I CB 0.893 38.953 38.000 0.100 0.000 1.400 395 I HN 0.351 nan 8.210 nan 0.000 0.488 396 L N 7.028 128.137 121.223 -0.190 0.000 2.341 396 L HA 0.496 4.835 4.340 -0.001 0.000 0.278 396 L C -0.389 176.473 176.870 -0.013 0.000 1.005 396 L CA -0.750 53.981 54.840 -0.181 0.000 0.818 396 L CB 1.899 43.662 42.059 -0.493 0.000 1.259 396 L HN 0.238 nan 8.230 nan 0.000 0.418 397 V N 3.014 122.955 119.914 0.045 0.000 2.546 397 V HA 0.350 4.469 4.120 -0.001 0.000 0.284 397 V C -0.528 175.666 176.094 0.167 0.000 1.050 397 V CA -0.381 61.947 62.300 0.047 0.000 0.981 397 V CB 0.909 32.714 31.823 -0.030 0.000 0.990 397 V HN 0.658 nan 8.190 nan 0.000 0.474 398 Y N 0.878 121.203 120.300 0.041 0.000 2.605 398 Y HA 0.640 5.190 4.550 -0.001 0.000 0.343 398 Y C 0.137 176.006 175.900 -0.052 0.000 1.036 398 Y CA -1.259 56.871 58.100 0.051 0.000 1.065 398 Y CB 1.597 40.128 38.460 0.118 0.000 1.288 398 Y HN 0.459 nan 8.280 nan 0.000 0.481 399 D N 0.362 120.839 120.400 0.129 0.000 2.514 399 D HA 0.059 4.699 4.640 -0.001 0.000 0.249 399 D C -0.794 175.710 176.300 0.340 0.000 1.036 399 D CA 0.957 54.989 54.000 0.053 0.000 0.911 399 D CB 0.578 41.403 40.800 0.042 0.000 1.145 399 D HN 0.807 nan 8.370 nan 0.000 0.495 400 D N -0.758 119.893 120.400 0.419 0.000 2.547 400 D HA 0.120 4.759 4.640 -0.001 0.000 0.231 400 D C 0.741 177.247 176.300 0.343 0.000 1.099 400 D CA -0.730 53.491 54.000 0.368 0.000 0.901 400 D CB 2.058 42.977 40.800 0.197 0.000 1.478 400 D HN -0.233 nan 8.370 nan 0.000 0.471 401 E N 0.259 120.631 120.200 0.286 0.000 2.085 401 E HA -0.285 4.065 4.350 -0.001 0.000 0.194 401 E C 0.552 177.188 176.600 0.060 0.000 0.994 401 E CA 1.519 58.050 56.400 0.219 0.000 0.801 401 E CB 0.047 29.889 29.700 0.236 0.000 0.743 401 E HN 0.501 nan 8.360 nan 0.000 0.453 402 D N 0.214 120.644 120.400 0.049 0.000 2.178 402 D HA -0.151 4.488 4.640 -0.001 0.000 0.202 402 D C 1.727 178.009 176.300 -0.030 0.000 0.974 402 D CA 0.747 54.752 54.000 0.007 0.000 0.841 402 D CB -0.183 40.628 40.800 0.019 0.000 0.953 402 D HN 0.364 nan 8.370 nan 0.000 0.478 403 E N 0.786 120.979 120.200 -0.012 0.000 2.015 403 E HA -0.171 4.179 4.350 -0.001 0.000 0.191 403 E C 2.015 178.509 176.600 -0.176 0.000 0.991 403 E CA 1.042 57.423 56.400 -0.031 0.000 0.802 403 E CB -0.021 29.716 29.700 0.063 0.000 0.759 403 E HN 0.108 nan 8.360 nan 0.000 0.447 404 A N 1.382 123.990 122.820 -0.353 0.000 1.927 404 A HA -0.222 4.097 4.320 -0.001 0.000 0.220 404 A C 2.239 179.418 177.584 -0.675 0.000 1.185 404 A CA 1.862 53.418 52.037 -0.801 0.000 0.639 404 A CB -0.809 17.380 19.000 -1.351 0.000 0.820 404 A HN 0.389 nan 8.150 nan 0.000 0.451 405 I N -1.249 119.107 120.570 -0.356 0.000 2.252 405 I HA -0.224 3.946 4.170 -0.001 0.000 0.245 405 I C 2.689 178.695 176.117 -0.186 0.000 1.102 405 I CA 1.645 62.810 61.300 -0.226 0.000 1.385 405 I CB -0.280 37.671 38.000 -0.081 0.000 1.064 405 I HN 0.410 nan 8.210 nan 0.000 0.414 406 R N 1.133 121.543 120.500 -0.150 0.000 2.075 406 R HA -0.107 4.233 4.340 -0.001 0.000 0.232 406 R C 2.416 178.663 176.300 -0.088 0.000 1.126 406 R CA 1.211 57.259 56.100 -0.086 0.000 0.963 406 R CB -0.068 30.203 30.300 -0.048 0.000 0.858 406 R HN 0.252 nan 8.270 nan 0.000 0.435 407 R N 0.041 120.448 120.500 -0.155 0.000 2.090 407 R HA -0.011 4.328 4.340 -0.001 0.000 0.228 407 R C 2.340 178.596 176.300 -0.073 0.000 1.110 407 R CA 1.108 57.155 56.100 -0.087 0.000 0.973 407 R CB -0.327 29.932 30.300 -0.068 0.000 0.869 407 R HN 0.269 nan 8.270 nan 0.000 0.440 408 A N 1.867 124.492 122.820 -0.325 0.000 1.908 408 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 408 A C 1.706 179.294 177.584 0.008 0.000 1.181 408 A CA 1.607 53.556 52.037 -0.146 0.000 0.627 408 A CB -0.378 18.456 19.000 -0.276 0.000 0.818 408 A HN 0.245 nan 8.150 nan 0.000 0.445 409 N N -0.014 118.672 118.700 -0.023 0.000 2.463 409 N HA -0.034 4.706 4.740 -0.001 0.000 0.181 409 N C -0.024 175.512 175.510 0.044 0.000 1.078 409 N CA 0.661 53.723 53.050 0.021 0.000 0.902 409 N CB -0.170 38.321 38.487 0.007 0.000 0.970 409 N HN 0.465 nan 8.380 nan 0.000 0.451 410 D N 0.697 121.125 120.400 0.045 0.000 2.608 410 D HA 0.100 4.739 4.640 -0.001 0.000 0.224 410 D C -0.761 175.579 176.300 0.067 0.000 1.123 410 D CA 0.185 54.214 54.000 0.049 0.000 1.030 410 D CB -0.218 40.609 40.800 0.046 0.000 1.093 410 D HN -0.105 nan 8.370 nan 0.000 0.497 411 T N 0.785 115.376 114.554 0.061 0.000 2.886 411 T HA 0.206 4.555 4.350 -0.001 0.000 0.330 411 T C 0.122 174.832 174.700 0.017 0.000 1.488 411 T CA -0.619 61.516 62.100 0.060 0.000 1.054 411 T CB 1.027 69.983 68.868 0.146 0.000 1.348 411 T HN 0.048 nan 8.240 nan 0.000 0.489 412 E N 1.100 121.249 120.200 -0.084 0.000 2.478 412 E HA 0.199 4.549 4.350 -0.001 0.000 0.194 412 E C -0.279 176.263 176.600 -0.097 0.000 1.045 412 E CA 0.390 56.717 56.400 -0.123 0.000 0.868 412 E CB -0.100 29.471 29.700 -0.214 0.000 0.885 412 E HN 0.476 nan 8.360 nan 0.000 0.505 413 Y N 0.222 120.554 120.300 0.054 0.000 2.289 413 Y HA 0.562 5.112 4.550 -0.001 0.000 0.332 413 Y C 1.538 177.479 175.900 0.068 0.000 1.324 413 Y CA -0.392 57.742 58.100 0.057 0.000 1.478 413 Y CB 1.159 39.651 38.460 0.054 0.000 1.378 413 Y HN -0.017 nan 8.280 nan 0.000 0.558 414 G N 0.330 109.286 108.800 0.260 0.000 5.005 414 G HA2 0.074 4.034 3.960 -0.001 0.000 0.222 414 G HA3 0.074 4.034 3.960 -0.001 0.000 0.222 414 G C -0.009 174.936 174.900 0.075 0.000 1.437 414 G CA -0.269 44.923 45.100 0.153 0.000 0.894 414 G HN 0.520 nan 8.290 nan 0.000 0.394 415 L N 0.853 122.109 121.223 0.055 0.000 2.022 415 L HA 0.782 5.122 4.340 -0.001 0.000 0.204 415 L C 1.287 178.094 176.870 -0.105 0.000 1.076 415 L CA 2.389 57.226 54.840 -0.006 0.000 0.749 415 L CB -0.237 41.825 42.059 0.004 0.000 0.903 415 L HN 0.454 nan 8.230 nan 0.000 0.439 416 A N -1.854 120.926 122.820 -0.066 0.000 2.485 416 A HA 0.911 5.231 4.320 -0.001 0.000 0.292 416 A C -1.259 176.305 177.584 -0.034 0.000 1.147 416 A CA -0.054 51.879 52.037 -0.173 0.000 0.750 416 A CB 1.339 20.268 19.000 -0.118 0.000 1.331 416 A HN 0.596 nan 8.150 nan 0.000 0.419 417 A N -1.066 121.688 122.820 -0.110 0.000 2.597 417 A HA 0.861 5.180 4.320 -0.001 0.000 0.292 417 A C -0.416 177.220 177.584 0.087 0.000 1.057 417 A CA 0.040 52.138 52.037 0.101 0.000 0.674 417 A CB 1.016 20.022 19.000 0.010 0.000 1.278 417 A HN 2.492 nan 8.150 nan 0.000 0.416 418 G N -0.821 108.196 108.800 0.361 0.000 2.720 418 G HA2 0.770 4.730 3.960 -0.001 0.000 0.295 418 G HA3 0.770 4.730 3.960 -0.001 0.000 0.295 418 G C -1.056 174.037 174.900 0.322 0.000 1.437 418 G CA 0.180 45.535 45.100 0.424 0.000 0.886 418 G HN 2.144 nan 8.290 nan 0.000 0.509 419 V N -1.404 118.661 119.914 0.252 0.000 2.876 419 V HA 0.892 5.012 4.120 -0.001 0.000 0.312 419 V C -0.902 175.323 176.094 0.218 0.000 1.085 419 V CA -1.094 61.337 62.300 0.218 0.000 0.945 419 V CB 1.764 33.787 31.823 0.334 0.000 1.017 419 V HN 0.821 nan 8.190 nan 0.000 0.428 420 V N 3.174 123.213 119.914 0.207 0.000 2.376 420 V HA 0.832 4.951 4.120 -0.001 0.000 0.287 420 V C 0.051 176.298 176.094 0.255 0.000 1.015 420 V CA 0.198 62.608 62.300 0.182 0.000 0.834 420 V CB 0.872 32.766 31.823 0.118 0.000 1.001 420 V HN 1.267 nan 8.190 nan 0.000 0.428 421 T N 3.120 117.783 114.554 0.182 0.000 2.886 421 T HA 0.341 4.691 4.350 -0.001 0.000 0.330 421 T C -0.113 174.614 174.700 0.046 0.000 1.488 421 T CA -0.292 61.887 62.100 0.131 0.000 1.054 421 T CB 2.277 71.188 68.868 0.072 0.000 1.348 421 T HN 0.611 nan 8.240 nan 0.000 0.489 422 Q N 0.867 120.681 119.800 0.025 0.000 2.356 422 Q HA 0.224 4.563 4.340 -0.001 0.000 0.205 422 Q C -0.315 175.674 176.000 -0.018 0.000 0.901 422 Q CA -0.029 55.777 55.803 0.006 0.000 0.938 422 Q CB 0.396 29.143 28.738 0.015 0.000 1.081 422 Q HN 0.596 nan 8.270 nan 0.000 0.517 423 D N 0.021 120.395 120.400 -0.043 0.000 2.348 423 D HA 0.028 4.668 4.640 -0.001 0.000 0.253 423 D C 0.595 176.852 176.300 -0.071 0.000 1.161 423 D CA -0.201 53.761 54.000 -0.062 0.000 0.876 423 D CB 1.020 41.762 40.800 -0.097 0.000 1.160 423 D HN -0.020 nan 8.370 nan 0.000 0.459 424 L N 5.286 126.490 121.223 -0.032 0.000 1.970 424 L HA -0.086 4.254 4.340 -0.001 0.000 0.212 424 L C 2.012 178.900 176.870 0.030 0.000 1.071 424 L CA 2.424 57.272 54.840 0.013 0.000 0.751 424 L CB -0.751 41.337 42.059 0.048 0.000 0.889 424 L HN 0.568 nan 8.230 nan 0.000 0.432 425 A N -0.292 122.526 122.820 -0.004 0.000 1.873 425 A HA -0.302 4.018 4.320 -0.001 0.000 0.218 425 A C 2.562 180.092 177.584 -0.090 0.000 1.193 425 A CA 2.211 54.234 52.037 -0.023 0.000 0.629 425 A CB -0.853 18.122 19.000 -0.042 0.000 0.826 425 A HN 0.567 nan 8.150 nan 0.000 0.447 426 R N -0.557 119.845 120.500 -0.163 0.000 2.083 426 R HA -0.129 4.211 4.340 -0.001 0.000 0.237 426 R C 2.379 178.502 176.300 -0.294 0.000 1.137 426 R CA 1.505 57.429 56.100 -0.293 0.000 0.951 426 R CB -0.464 29.573 30.300 -0.438 0.000 0.851 426 R HN 0.470 nan 8.270 nan 0.000 0.434 427 A N 0.821 123.494 122.820 -0.246 0.000 1.873 427 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 427 A C 1.970 179.362 177.584 -0.320 0.000 1.193 427 A CA 1.728 53.609 52.037 -0.260 0.000 0.629 427 A CB -0.892 17.919 19.000 -0.314 0.000 0.826 427 A HN 0.479 nan 8.150 nan 0.000 0.447 428 H N -0.843 118.094 119.070 -0.222 0.000 2.333 428 H HA 0.008 4.564 4.556 -0.001 0.000 0.302 428 H C 2.393 177.310 175.328 -0.685 0.000 1.075 428 H CA 1.371 57.151 56.048 -0.446 0.000 1.348 428 H CB -0.259 29.296 29.762 -0.344 0.000 1.393 428 H HN 0.437 nan 8.280 nan 0.000 0.509 429 R N 0.719 121.062 120.500 -0.262 0.000 2.096 429 R HA -0.107 4.233 4.340 -0.001 0.000 0.240 429 R C 2.470 178.693 176.300 -0.128 0.000 1.139 429 R CA 1.180 57.173 56.100 -0.178 0.000 0.952 429 R CB -0.480 29.760 30.300 -0.099 0.000 0.854 429 R HN 0.244 nan 8.270 nan 0.000 0.436 430 A N 1.107 123.851 122.820 -0.127 0.000 1.877 430 A HA -0.160 4.160 4.320 -0.001 0.000 0.216 430 A C 2.156 179.743 177.584 0.006 0.000 1.186 430 A CA 1.179 53.204 52.037 -0.020 0.000 0.620 430 A CB -0.449 18.596 19.000 0.076 0.000 0.822 430 A HN 0.189 nan 8.150 nan 0.000 0.443 431 I N -0.282 120.264 120.570 -0.040 0.000 2.361 431 I HA -0.237 3.932 4.170 -0.001 0.000 0.251 431 I C 2.157 178.329 176.117 0.091 0.000 1.133 431 I CA 1.552 62.854 61.300 0.003 0.000 1.413 431 I CB -0.418 37.571 38.000 -0.018 0.000 1.073 431 I HN 0.495 nan 8.210 nan 0.000 0.424 432 H N -0.857 118.223 119.070 0.016 0.000 2.489 432 H HA -0.054 4.501 4.556 -0.001 0.000 0.293 432 H C 1.864 177.200 175.328 0.013 0.000 1.066 432 H CA 0.587 56.645 56.048 0.016 0.000 1.305 432 H CB 0.057 29.836 29.762 0.027 0.000 1.386 432 H HN 0.266 nan 8.280 nan 0.000 0.551 433 R N 0.301 120.871 120.500 0.117 0.000 2.280 433 R HA 0.153 4.492 4.340 -0.001 0.000 0.195 433 R C -0.166 176.156 176.300 0.038 0.000 0.935 433 R CA -0.106 56.035 56.100 0.068 0.000 1.033 433 R CB 0.511 30.838 30.300 0.044 0.000 0.964 433 R HN 0.112 nan 8.270 nan 0.000 0.489 434 L N 1.872 123.105 121.223 0.017 0.000 2.281 434 L HA 0.141 4.481 4.340 -0.001 0.000 0.285 434 L C 0.051 176.876 176.870 -0.074 0.000 1.074 434 L CA -0.026 54.800 54.840 -0.024 0.000 0.817 434 L CB 1.240 43.279 42.059 -0.033 0.000 1.168 434 L HN -0.008 nan 8.230 nan 0.000 0.434 435 E N 3.943 124.119 120.200 -0.040 0.000 1.979 435 E HA 0.412 4.761 4.350 -0.001 0.000 0.285 435 E C -0.345 176.105 176.600 -0.250 0.000 1.188 435 E CA -0.286 56.111 56.400 -0.005 0.000 1.214 435 E CB 0.441 30.246 29.700 0.175 0.000 1.210 435 E HN 0.614 nan 8.360 nan 0.000 0.477 436 A N 0.062 122.444 122.820 -0.731 0.000 2.572 436 A HA 0.614 4.934 4.320 -0.001 0.000 0.295 436 A C 0.847 177.801 177.584 -1.050 0.000 1.072 436 A CA -0.542 51.073 52.037 -0.705 0.000 0.691 436 A CB 1.483 20.291 19.000 -0.321 0.000 1.291 436 A HN 0.412 nan 8.150 nan 0.000 0.404 437 G N -0.014 108.399 108.800 -0.645 0.000 2.551 437 G HA2 0.339 4.298 3.960 -0.001 0.000 0.216 437 G HA3 0.339 4.298 3.960 -0.001 0.000 0.216 437 G C 0.271 174.965 174.900 -0.345 0.000 1.137 437 G CA 0.589 45.476 45.100 -0.354 0.000 0.798 437 G HN 0.575 nan 8.290 nan 0.000 0.536 438 I N 0.744 121.043 120.570 -0.451 0.000 2.411 438 I HA 0.363 4.533 4.170 -0.001 0.000 0.284 438 I C -1.024 174.561 176.117 -0.887 0.000 1.012 438 I CA -0.705 60.186 61.300 -0.681 0.000 1.119 438 I CB 2.104 39.653 38.000 -0.751 0.000 1.261 438 I HN -0.174 nan 8.210 nan 0.000 0.448 439 C N 6.008 124.802 119.300 -0.844 0.000 2.482 439 C HA 0.560 5.020 4.460 -0.001 0.000 0.317 439 C C -0.880 173.777 174.990 -0.555 0.000 1.197 439 C CA -0.576 58.086 59.018 -0.595 0.000 1.432 439 C CB 1.632 29.188 27.740 -0.307 0.000 2.062 439 C HN 0.680 nan 8.230 nan 0.000 0.471 440 W N 3.475 124.629 121.300 -0.243 0.000 2.656 440 W HA 0.633 5.293 4.660 -0.000 0.000 0.327 440 W C -0.756 175.722 176.519 -0.069 0.000 1.041 440 W CA -1.010 56.219 57.345 -0.193 0.000 1.229 440 W CB 1.255 30.514 29.460 -0.335 0.000 1.397 440 W HN 0.438 nan 8.180 nan 0.000 0.479 441 I N 4.877 125.550 120.570 0.172 0.000 2.355 441 I HA 0.146 4.315 4.170 -0.001 0.000 0.288 441 I C 0.064 176.245 176.117 0.107 0.000 0.999 441 I CA -0.554 60.806 61.300 0.101 0.000 1.163 441 I CB 0.881 38.874 38.000 -0.013 0.000 1.316 441 I HN 0.400 nan 8.210 nan 0.000 0.454 442 N N 2.278 121.052 118.700 0.124 0.000 2.747 442 N HA -0.174 4.566 4.740 -0.001 0.000 0.249 442 N C -0.204 175.358 175.510 0.087 0.000 1.107 442 N CA 1.314 54.425 53.050 0.100 0.000 0.707 442 N CB -0.913 37.613 38.487 0.064 0.000 1.054 442 N HN 0.813 nan 8.380 nan 0.000 0.555 443 T N -1.969 112.650 114.554 0.108 0.000 2.693 443 T HA 0.563 4.912 4.350 -0.001 0.000 0.304 443 T C -2.267 172.423 174.700 -0.015 0.000 1.471 443 T CA -0.557 61.553 62.100 0.016 0.000 0.993 443 T CB 1.407 70.251 68.868 -0.040 0.000 1.554 443 T HN 0.254 nan 8.240 nan 0.000 0.496 444 W N 0.317 121.292 121.300 -0.542 0.000 3.479 444 W HA 0.447 5.107 4.660 -0.001 0.000 0.304 444 W C 0.575 176.372 176.519 -1.205 0.000 1.243 444 W CA 0.261 57.003 57.345 -1.005 0.000 1.202 444 W CB 1.170 30.324 29.460 -0.511 0.000 1.346 444 W HN 1.396 nan 8.180 nan 0.000 0.539 445 G N 2.424 109.949 108.800 -2.125 0.000 2.284 445 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.230 445 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.230 445 G C 0.179 174.830 174.900 -0.415 0.000 1.021 445 G CA 0.328 44.868 45.100 -0.933 0.000 0.619 445 G HN 0.502 nan 8.290 nan 0.000 0.510 446 E N 0.963 120.954 120.200 -0.349 0.000 2.384 446 E HA 0.486 4.835 4.350 -0.001 0.000 0.266 446 E C -0.209 176.520 176.600 0.214 0.000 1.012 446 E CA 0.561 56.945 56.400 -0.027 0.000 0.901 446 E CB 0.451 30.138 29.700 -0.023 0.000 0.967 446 E HN 0.152 nan 8.360 nan 0.000 0.435 447 S N 5.299 121.098 115.700 0.165 0.000 2.204 447 S HA 0.312 4.782 4.470 -0.001 0.000 0.147 447 S C -2.577 172.040 174.600 0.029 0.000 1.711 447 S CA -1.371 56.932 58.200 0.172 0.000 1.274 447 S CB 0.391 63.778 63.200 0.312 0.000 1.257 447 S HN 0.386 nan 8.310 nan 0.000 0.404 448 P HA 0.212 nan 4.420 nan 0.000 0.269 448 P C 0.843 177.958 177.300 -0.309 0.000 1.209 448 P CA -0.116 62.902 63.100 -0.136 0.000 0.776 448 P CB 0.579 32.206 31.700 -0.121 0.000 0.876 449 A N 2.679 125.239 122.820 -0.433 0.000 1.986 449 A HA -0.248 4.071 4.320 -0.001 0.000 0.220 449 A C 1.709 178.701 177.584 -0.988 0.000 1.171 449 A CA 1.811 53.400 52.037 -0.746 0.000 0.640 449 A CB -0.945 17.568 19.000 -0.810 0.000 0.811 449 A HN 0.610 nan 8.150 nan 0.000 0.451 450 E N -1.268 118.454 120.200 -0.796 0.000 2.358 450 E HA 0.090 4.440 4.350 -0.001 0.000 0.195 450 E C 0.876 177.315 176.600 -0.267 0.000 1.010 450 E CA 0.228 56.289 56.400 -0.564 0.000 0.856 450 E CB -0.093 29.429 29.700 -0.298 0.000 0.795 450 E HN 0.699 nan 8.360 nan 0.000 0.504 451 M N 2.436 121.882 119.600 -0.256 0.000 2.077 451 M HA 0.225 4.704 4.480 -0.001 0.000 0.348 451 M C -2.480 173.731 176.300 -0.149 0.000 1.252 451 M CA -2.526 52.676 55.300 -0.163 0.000 1.096 451 M CB 0.822 33.334 32.600 -0.146 0.000 1.568 451 M HN -0.243 nan 8.290 nan 0.000 0.456 452 P HA 0.113 nan 4.420 nan 0.000 0.267 452 P C -1.238 176.013 177.300 -0.082 0.000 1.205 452 P CA -0.167 62.901 63.100 -0.055 0.000 0.765 452 P CB 0.375 32.072 31.700 -0.005 0.000 0.828 453 V N 0.590 120.464 119.914 -0.066 0.000 2.709 453 V HA 1.031 5.151 4.120 -0.001 0.000 0.308 453 V C -0.013 176.073 176.094 -0.013 0.000 1.062 453 V CA -0.416 61.844 62.300 -0.066 0.000 0.901 453 V CB 1.627 33.418 31.823 -0.054 0.000 1.003 453 V HN 0.889 nan 8.190 nan 0.000 0.425 454 G N 1.553 110.340 108.800 -0.022 0.000 2.315 454 G HA2 0.632 4.592 3.960 -0.001 0.000 0.294 454 G HA3 0.632 4.592 3.960 -0.001 0.000 0.294 454 G C -0.553 174.367 174.900 0.032 0.000 1.300 454 G CA -0.175 44.936 45.100 0.019 0.000 0.843 454 G HN 1.432 nan 8.290 nan 0.000 0.527 455 G N -1.153 107.691 108.800 0.074 0.000 2.388 455 G HA2 0.580 4.540 3.960 -0.001 0.000 0.330 455 G HA3 0.580 4.540 3.960 -0.001 0.000 0.330 455 G C -0.882 174.159 174.900 0.236 0.000 1.142 455 G CA -0.442 44.731 45.100 0.122 0.000 0.908 455 G HN 0.437 nan 8.290 nan 0.000 0.473 456 Y N 1.380 121.678 120.300 -0.003 0.000 2.357 456 Y HA 0.217 4.767 4.550 -0.001 0.000 0.340 456 Y C 1.693 177.608 175.900 0.025 0.000 1.260 456 Y CA -0.332 57.770 58.100 0.003 0.000 1.425 456 Y CB 0.733 39.194 38.460 0.001 0.000 1.326 456 Y HN 0.834 nan 8.280 nan 0.000 0.580 457 K N -0.303 120.168 120.400 0.118 0.000 1.791 457 K HA -0.357 3.962 4.320 -0.001 0.000 0.140 457 K C 0.646 177.288 176.600 0.071 0.000 1.312 457 K CA 1.812 58.145 56.287 0.077 0.000 0.382 457 K CB -0.929 31.635 32.500 0.107 0.000 0.635 457 K HN 0.737 nan 8.250 nan 0.000 0.838 458 Q N 0.499 120.347 119.800 0.080 0.000 2.246 458 Q HA 0.163 4.503 4.340 -0.001 0.000 0.202 458 Q C 0.716 176.821 176.000 0.175 0.000 0.883 458 Q CA 0.126 55.974 55.803 0.074 0.000 0.952 458 Q CB 0.592 29.319 28.738 -0.018 0.000 1.078 458 Q HN 0.320 nan 8.270 nan 0.000 0.493 459 S N -0.120 115.702 115.700 0.203 0.000 2.575 459 S HA 0.255 4.725 4.470 -0.001 0.000 0.215 459 S C 0.472 175.146 174.600 0.124 0.000 0.966 459 S CA 0.322 58.637 58.200 0.192 0.000 0.911 459 S CB 0.791 64.095 63.200 0.174 0.000 0.780 459 S HN 0.502 nan 8.310 nan 0.000 0.514 460 G N 0.030 108.894 108.800 0.108 0.000 2.338 460 G HA2 0.447 4.407 3.960 -0.001 0.000 0.295 460 G HA3 0.447 4.407 3.960 -0.001 0.000 0.295 460 G C -2.093 172.838 174.900 0.052 0.000 1.461 460 G CA -0.568 44.582 45.100 0.083 0.000 0.817 460 G HN 0.023 nan 8.290 nan 0.000 0.556 461 V N 0.781 120.717 119.914 0.037 0.000 2.577 461 V HA 0.856 4.975 4.120 -0.001 0.000 0.303 461 V C 0.963 177.044 176.094 -0.022 0.000 1.042 461 V CA 0.917 63.216 62.300 -0.002 0.000 0.872 461 V CB 0.833 32.655 31.823 -0.002 0.000 0.998 461 V HN 2.661 nan 8.190 nan 0.000 0.423 462 G N 5.179 113.938 108.800 -0.069 0.000 2.750 462 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.228 462 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.228 462 G C -0.702 174.156 174.900 -0.069 0.000 1.367 462 G CA -0.424 44.601 45.100 -0.125 0.000 0.871 462 G HN 0.710 nan 8.290 nan 0.000 0.560 463 R N -0.063 120.389 120.500 -0.079 0.000 2.836 463 R HA 0.631 4.971 4.340 -0.001 0.000 0.269 463 R C -0.469 175.859 176.300 0.046 0.000 1.010 463 R CA -0.776 55.319 56.100 -0.009 0.000 0.930 463 R CB 1.635 31.927 30.300 -0.014 0.000 1.218 463 R HN 0.751 nan 8.270 nan 0.000 0.473 464 E N 1.259 121.503 120.200 0.073 0.000 2.263 464 E HA 0.387 4.737 4.350 -0.001 0.000 0.264 464 E C -0.739 175.878 176.600 0.029 0.000 0.923 464 E CA -0.887 55.577 56.400 0.107 0.000 0.802 464 E CB 1.400 31.201 29.700 0.168 0.000 1.228 464 E HN 0.422 nan 8.360 nan 0.000 0.417 465 N N -0.112 118.632 118.700 0.072 0.000 5.971 465 N HA -0.157 4.582 4.740 -0.001 0.000 0.390 465 N C -0.092 175.487 175.510 0.116 0.000 1.130 465 N CA 1.224 54.268 53.050 -0.010 0.000 2.259 465 N CB -0.845 37.405 38.487 -0.396 0.000 0.654 465 N HN 0.954 nan 8.380 nan 0.000 0.614 466 G N -1.453 107.368 108.800 0.035 0.000 2.860 466 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.553 466 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.553 466 G C 1.016 176.128 174.900 0.354 0.000 1.439 466 G CA 0.005 45.187 45.100 0.136 0.000 0.879 466 G HN 0.659 nan 8.290 nan 0.000 0.545 467 L N -0.170 121.217 121.223 0.273 0.000 2.046 467 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 467 L C 3.322 180.321 176.870 0.216 0.000 1.077 467 L CA 2.361 57.337 54.840 0.226 0.000 0.747 467 L CB -0.939 41.197 42.059 0.127 0.000 0.896 467 L HN 0.883 nan 8.230 nan 0.000 0.432 468 T N -0.964 113.704 114.554 0.190 0.000 2.737 468 T HA -0.234 4.115 4.350 -0.001 0.000 0.269 468 T C 1.813 176.704 174.700 0.319 0.000 1.040 468 T CA 2.333 64.562 62.100 0.215 0.000 1.142 468 T CB -0.173 68.811 68.868 0.193 0.000 0.861 468 T HN 0.370 nan 8.240 nan 0.000 0.456 469 T N 1.909 116.641 114.554 0.297 0.000 2.777 469 T HA 0.000 4.350 4.350 -0.001 0.000 0.266 469 T C 1.777 176.619 174.700 0.237 0.000 1.040 469 T CA 1.201 63.471 62.100 0.283 0.000 1.141 469 T CB -0.502 68.528 68.868 0.270 0.000 0.868 469 T HN 0.247 nan 8.240 nan 0.000 0.444 470 L N 1.516 122.835 121.223 0.159 0.000 2.081 470 L HA -0.075 4.265 4.340 -0.001 0.000 0.212 470 L C 2.515 179.431 176.870 0.077 0.000 1.080 470 L CA 1.909 56.770 54.840 0.036 0.000 0.754 470 L CB -0.853 41.258 42.059 0.085 0.000 0.893 470 L HN 0.243 nan 8.230 nan 0.000 0.433 471 A N -1.814 121.030 122.820 0.040 0.000 1.968 471 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 471 A C 1.893 179.347 177.584 -0.217 0.000 1.169 471 A CA 1.447 53.425 52.037 -0.097 0.000 0.638 471 A CB -0.963 17.940 19.000 -0.161 0.000 0.812 471 A HN 0.680 nan 8.150 nan 0.000 0.446 472 H N -3.023 116.052 119.070 0.009 0.000 2.556 472 H HA 0.059 4.614 4.556 -0.001 0.000 0.268 472 H C 0.329 175.539 175.328 -0.197 0.000 0.996 472 H CA 0.811 56.809 56.048 -0.084 0.000 1.157 472 H CB -0.127 29.567 29.762 -0.112 0.000 1.355 472 H HN 0.612 nan 8.280 nan 0.000 0.597 473 Y N 0.506 120.829 120.300 0.039 0.000 2.532 473 Y HA 0.113 4.663 4.550 -0.001 0.000 0.283 473 Y C 0.817 176.722 175.900 0.007 0.000 1.181 473 Y CA -0.225 57.888 58.100 0.022 0.000 1.256 473 Y CB 0.343 38.797 38.460 -0.009 0.000 1.112 473 Y HN 0.087 nan 8.280 nan 0.000 0.521 474 T N -1.815 112.786 114.554 0.078 0.000 2.916 474 T HA 0.790 5.140 4.350 -0.001 0.000 0.292 474 T C -0.542 174.162 174.700 0.006 0.000 1.064 474 T CA -1.175 60.950 62.100 0.041 0.000 1.011 474 T CB 2.329 71.206 68.868 0.014 0.000 1.152 474 T HN 0.169 nan 8.240 nan 0.000 0.510 475 R N 0.749 121.253 120.500 0.008 0.000 2.711 475 R HA 0.735 5.075 4.340 -0.001 0.000 0.284 475 R C -0.692 175.600 176.300 -0.013 0.000 0.968 475 R CA -0.976 55.122 56.100 -0.004 0.000 0.924 475 R CB 1.217 31.521 30.300 0.006 0.000 1.162 475 R HN 0.593 nan 8.270 nan 0.000 0.465 476 I N 2.102 122.658 120.570 -0.022 0.000 2.352 476 I HA 0.178 4.347 4.170 -0.001 0.000 0.290 476 I C 0.111 176.210 176.117 -0.031 0.000 1.036 476 I CA -0.317 60.967 61.300 -0.027 0.000 1.336 476 I CB 1.029 39.010 38.000 -0.032 0.000 1.407 476 I HN 0.503 nan 8.210 nan 0.000 0.497 477 K N 5.467 125.845 120.400 -0.037 0.000 2.213 477 K HA 0.405 4.724 4.320 -0.001 0.000 0.270 477 K C -0.761 175.776 176.600 -0.104 0.000 1.002 477 K CA -0.365 55.884 56.287 -0.064 0.000 0.868 477 K CB 1.165 33.629 32.500 -0.060 0.000 1.093 477 K HN 0.517 nan 8.250 nan 0.000 0.454 478 S N 2.649 118.277 115.700 -0.120 0.000 2.457 478 S HA 0.318 4.787 4.470 -0.001 0.000 0.289 478 S C -0.824 173.624 174.600 -0.253 0.000 1.163 478 S CA -0.726 57.374 58.200 -0.166 0.000 1.078 478 S CB 1.324 64.457 63.200 -0.111 0.000 0.987 478 S HN 0.409 nan 8.310 nan 0.000 0.482 479 V N 4.556 124.210 119.914 -0.433 0.000 2.378 479 V HA 0.388 4.508 4.120 -0.001 0.000 0.288 479 V C 0.016 175.820 176.094 -0.483 0.000 1.016 479 V CA -0.703 61.270 62.300 -0.545 0.000 0.840 479 V CB 1.362 32.602 31.823 -0.973 0.000 0.994 479 V HN 0.825 nan 8.190 nan 0.000 0.431 480 Q N 3.910 123.525 119.800 -0.309 0.000 2.303 480 Q HA 0.537 4.877 4.340 -0.001 0.000 0.257 480 Q C -1.298 174.540 176.000 -0.270 0.000 0.941 480 Q CA -0.463 55.183 55.803 -0.262 0.000 0.931 480 Q CB 1.795 30.443 28.738 -0.150 0.000 1.215 480 Q HN 0.619 nan 8.270 nan 0.000 0.437 481 V N 4.151 123.838 119.914 -0.379 0.000 2.318 481 V HA 0.187 4.306 4.120 -0.001 0.000 0.271 481 V C -0.274 175.722 176.094 -0.163 0.000 1.030 481 V CA -0.688 61.423 62.300 -0.315 0.000 0.844 481 V CB 1.005 32.497 31.823 -0.551 0.000 1.015 481 V HN 0.734 nan 8.190 nan 0.000 0.460 482 E N 4.336 124.496 120.200 -0.067 0.000 2.130 482 E HA 0.380 4.730 4.350 -0.001 0.000 0.284 482 E C 0.194 176.815 176.600 0.035 0.000 1.018 482 E CA -0.113 56.290 56.400 0.005 0.000 0.817 482 E CB 1.119 30.835 29.700 0.026 0.000 1.078 482 E HN 0.611 nan 8.360 nan 0.000 0.396 483 L N 3.045 124.310 121.223 0.070 0.000 2.616 483 L HA 0.417 4.756 4.340 -0.001 0.000 0.229 483 L C 1.201 178.113 176.870 0.069 0.000 1.110 483 L CA 0.129 55.018 54.840 0.083 0.000 0.884 483 L CB 0.293 42.425 42.059 0.122 0.000 1.115 483 L HN 0.548 nan 8.230 nan 0.000 0.481 484 G N -1.099 107.741 108.800 0.068 0.000 2.890 484 G HA2 0.258 4.218 3.960 -0.001 0.000 0.189 484 G HA3 0.258 4.218 3.960 -0.001 0.000 0.189 484 G C -0.946 173.995 174.900 0.068 0.000 1.342 484 G CA -0.471 44.665 45.100 0.060 0.000 1.026 484 G HN -0.096 nan 8.290 nan 0.000 0.579 485 D N -0.562 119.874 120.400 0.060 0.000 2.313 485 D HA 0.268 4.908 4.640 -0.001 0.000 0.247 485 D C -1.100 175.264 176.300 0.107 0.000 1.094 485 D CA 0.194 54.237 54.000 0.072 0.000 0.925 485 D CB 1.726 42.548 40.800 0.037 0.000 1.188 485 D HN 0.169 nan 8.370 nan 0.000 0.430 486 Y N 0.660 120.963 120.300 0.005 0.000 2.326 486 Y HA 0.435 4.985 4.550 -0.000 0.000 0.337 486 Y C -0.653 175.248 175.900 0.002 0.000 1.023 486 Y CA -1.039 57.062 58.100 0.003 0.000 1.143 486 Y CB 1.003 39.467 38.460 0.005 0.000 1.183 486 Y HN 0.367 nan 8.280 nan 0.000 0.485 487 A N 4.749 127.155 122.820 -0.691 0.000 2.276 487 A HA 0.591 4.911 4.320 -0.001 0.000 0.316 487 A C -0.560 176.616 177.584 -0.680 0.000 1.229 487 A CA -0.483 51.252 52.037 -0.504 0.000 0.851 487 A CB 0.684 19.501 19.000 -0.304 0.000 1.165 487 A HN 0.661 nan 8.150 nan 0.000 0.513 488 S N 1.077 116.567 115.700 -0.351 0.000 2.549 488 S HA 0.434 4.904 4.470 -0.001 0.000 0.297 488 S C 0.875 175.356 174.600 -0.198 0.000 1.115 488 S CA -0.039 58.046 58.200 -0.192 0.000 1.059 488 S CB 1.375 64.599 63.200 0.040 0.000 1.046 488 S HN 1.581 nan 8.310 nan 0.000 0.506 489 V N 1.973 121.690 119.914 -0.329 0.000 3.649 489 V HA 0.453 4.573 4.120 -0.001 0.000 0.275 489 V C -0.043 175.769 176.094 -0.470 0.000 1.281 489 V CA 0.286 62.312 62.300 -0.457 0.000 1.143 489 V CB -1.278 30.169 31.823 -0.626 0.000 0.892 489 V HN 0.577 nan 8.190 nan 0.000 0.441 490 F N 0.000 119.943 119.950 -0.012 0.000 2.286 490 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 490 F CA 0.000 57.999 58.000 -0.001 0.000 1.383 490 F CB 0.000 39.006 39.000 0.010 0.000 1.145 490 F HN 0.000 nan 8.300 nan 0.000 0.574