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 1w25_1_B DATA FIRST_RESID 2 DATA SEQUENCE SARILVVDDI EANVRLLEAK LTAEYYEVST AMDGPTALAM AARDLPDIIL DATA SEQUENCE LDVMMPGMDG FTVCRKLKDD PTTRHIPVVL ITALDGRGDR IQGLESGASD DATA SEQUENCE FLTKPIDDVM LFARVRSLTR FKLVIDELRQ REASGRRMGV IAGAAARLDG DATA SEQUENCE LGGRVLIVDD NERQAQRVAA ELGVEHRPVI ESDPEKAKIS AGGPVDLVIV DATA SEQUENCE NAAAKNFDGL RFTAALRSEE RTRQLPVLAM VDPDDRGRMV KALEIGVNDI DATA SEQUENCE LSRPIDPQEL SARVKTQIQR KRYTDYLRNN LDHSLELAVT DQLTGLHNRR DATA SEQUENCE YMTGQLDSLV KRATLGGDPV SALLIDIDFF KKINDTFGHD IGDEVLREFA DATA SEQUENCE LRLASNVRAI DLPCRYGGEE FVVIMPDTAL ADALRIAERI RMHVSGSPFT DATA SEQUENCE VAHGREMLNV TISIGVSATA GEGDTPEALL KRADEGVYQA KASGRNAVVG DATA SEQUENCE KAAH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.652 174.600 0.086 0.000 1.055 2 S CA 0.000 58.161 58.200 -0.065 0.000 1.107 2 S CB 0.000 63.112 63.200 -0.147 0.000 0.593 3 A N 1.272 124.223 122.820 0.218 0.000 2.594 3 A HA 0.835 5.155 4.320 0.000 0.000 0.291 3 A C -1.549 176.184 177.584 0.247 0.000 1.105 3 A CA -0.716 51.475 52.037 0.257 0.000 0.694 3 A CB 1.169 20.353 19.000 0.308 0.000 1.291 3 A HN 0.200 nan 8.150 nan 0.000 0.410 4 R N 0.517 121.103 120.500 0.144 0.000 2.229 4 R HA 0.602 4.942 4.340 0.000 0.000 0.332 4 R C -1.170 175.165 176.300 0.059 0.000 0.989 4 R CA -0.059 56.101 56.100 0.100 0.000 0.842 4 R CB 0.997 31.336 30.300 0.066 0.000 1.119 4 R HN 0.600 nan 8.270 nan 0.000 0.456 5 I N 4.131 124.727 120.570 0.043 0.000 2.433 5 I HA 0.261 4.431 4.170 0.000 0.000 0.292 5 I C -0.835 175.270 176.117 -0.019 0.000 1.001 5 I CA -1.185 60.105 61.300 -0.017 0.000 1.119 5 I CB 1.845 39.803 38.000 -0.070 0.000 1.289 5 I HN 0.287 nan 8.210 nan 0.000 0.438 6 L N 8.270 129.471 121.223 -0.037 0.000 2.287 6 L HA 0.555 4.895 4.340 0.000 0.000 0.287 6 L C -0.766 176.073 176.870 -0.051 0.000 1.022 6 L CA -0.286 54.532 54.840 -0.036 0.000 0.814 6 L CB 1.450 43.488 42.059 -0.036 0.000 1.217 6 L HN 0.304 nan 8.230 nan 0.000 0.420 7 V N 5.834 125.720 119.914 -0.047 0.000 2.483 7 V HA 0.622 4.742 4.120 0.000 0.000 0.295 7 V C -0.506 175.558 176.094 -0.049 0.000 1.035 7 V CA -0.585 61.682 62.300 -0.056 0.000 0.896 7 V CB 1.870 33.661 31.823 -0.054 0.000 0.986 7 V HN 0.540 nan 8.190 nan 0.000 0.447 8 V N 3.655 123.535 119.914 -0.056 0.000 2.482 8 V HA 0.683 4.803 4.120 0.000 0.000 0.295 8 V C -1.007 175.052 176.094 -0.057 0.000 1.026 8 V CA -0.380 61.888 62.300 -0.053 0.000 0.856 8 V CB 1.726 33.514 31.823 -0.057 0.000 1.001 8 V HN 0.953 nan 8.190 nan 0.000 0.424 9 D N 2.199 122.570 120.400 -0.049 0.000 2.706 9 D HA 0.229 4.869 4.640 0.000 0.000 0.225 9 D C 0.213 176.490 176.300 -0.038 0.000 1.241 9 D CA -0.312 53.659 54.000 -0.049 0.000 0.784 9 D CB 2.385 43.157 40.800 -0.047 0.000 1.521 9 D HN 0.593 nan 8.370 nan 0.000 0.461 10 D N 1.659 122.037 120.400 -0.037 0.000 2.317 10 D HA -0.023 4.617 4.640 0.000 0.000 0.211 10 D C 0.642 176.928 176.300 -0.023 0.000 0.966 10 D CA 0.310 54.293 54.000 -0.028 0.000 0.876 10 D CB 0.331 41.115 40.800 -0.027 0.000 0.927 10 D HN 0.365 nan 8.370 nan 0.000 0.519 11 I N 1.600 122.155 120.570 -0.024 0.000 2.291 11 I HA 0.065 4.235 4.170 0.000 0.000 0.290 11 I C 0.507 176.612 176.117 -0.019 0.000 1.050 11 I CA -0.518 60.770 61.300 -0.020 0.000 1.245 11 I CB 1.132 39.120 38.000 -0.020 0.000 1.405 11 I HN -0.147 nan 8.210 nan 0.000 0.478 12 E N 6.859 127.050 120.200 -0.016 0.000 1.774 12 E HA 0.279 4.629 4.350 0.000 0.000 0.265 12 E C 0.545 177.137 176.600 -0.013 0.000 1.207 12 E CA 0.351 56.742 56.400 -0.014 0.000 1.054 12 E CB 0.216 29.910 29.700 -0.011 0.000 1.074 12 E HN 0.889 nan 8.360 nan 0.000 0.433 13 A N 3.990 126.802 122.820 -0.015 0.000 3.137 13 A HA -0.087 4.233 4.320 0.000 0.000 0.192 13 A C 1.386 178.960 177.584 -0.016 0.000 1.546 13 A CA -0.036 51.993 52.037 -0.013 0.000 1.366 13 A CB -0.370 18.623 19.000 -0.011 0.000 1.113 13 A HN 0.541 nan 8.150 nan 0.000 0.391 14 N N 0.770 119.458 118.700 -0.020 0.000 2.166 14 N HA -0.120 4.620 4.740 0.000 0.000 0.186 14 N C 1.674 177.166 175.510 -0.030 0.000 1.019 14 N CA 1.868 54.903 53.050 -0.026 0.000 0.856 14 N CB -0.003 38.466 38.487 -0.029 0.000 0.993 14 N HN 0.333 nan 8.380 nan 0.000 0.426 15 V N 2.026 121.923 119.914 -0.027 0.000 2.358 15 V HA -0.154 3.966 4.120 0.000 0.000 0.246 15 V C 2.375 178.456 176.094 -0.022 0.000 1.047 15 V CA 1.386 63.669 62.300 -0.028 0.000 1.035 15 V CB -0.330 31.478 31.823 -0.025 0.000 0.658 15 V HN 0.241 nan 8.190 nan 0.000 0.452 16 R N -0.486 120.004 120.500 -0.017 0.000 2.092 16 R HA -0.053 4.287 4.340 0.000 0.000 0.231 16 R C 2.142 178.436 176.300 -0.010 0.000 1.119 16 R CA 1.125 57.218 56.100 -0.011 0.000 0.970 16 R CB -0.968 29.327 30.300 -0.008 0.000 0.864 16 R HN 0.393 nan 8.270 nan 0.000 0.440 17 L N 0.872 122.087 121.223 -0.013 0.000 2.027 17 L HA -0.078 4.262 4.340 0.000 0.000 0.206 17 L C 2.304 179.164 176.870 -0.017 0.000 1.074 17 L CA 1.392 56.225 54.840 -0.012 0.000 0.745 17 L CB -0.431 41.619 42.059 -0.015 0.000 0.898 17 L HN 0.074 nan 8.230 nan 0.000 0.433 18 L N -0.759 120.444 121.223 -0.033 0.000 2.046 18 L HA -0.244 4.096 4.340 0.000 0.000 0.208 18 L C 2.575 179.426 176.870 -0.031 0.000 1.077 18 L CA 1.687 56.496 54.840 -0.052 0.000 0.747 18 L CB -0.436 41.581 42.059 -0.071 0.000 0.896 18 L HN 0.437 nan 8.230 nan 0.000 0.432 19 E N 0.053 120.242 120.200 -0.018 0.000 2.058 19 E HA -0.268 4.082 4.350 0.000 0.000 0.194 19 E C 2.150 178.760 176.600 0.016 0.000 0.997 19 E CA 1.309 57.708 56.400 -0.001 0.000 0.801 19 E CB -0.007 29.691 29.700 -0.002 0.000 0.746 19 E HN 0.479 nan 8.360 nan 0.000 0.450 20 A N 1.225 124.052 122.820 0.012 0.000 1.877 20 A HA -0.213 4.107 4.320 0.000 0.000 0.216 20 A C 2.071 179.681 177.584 0.043 0.000 1.186 20 A CA 1.811 53.858 52.037 0.017 0.000 0.620 20 A CB -0.430 18.576 19.000 0.010 0.000 0.822 20 A HN 0.164 nan 8.150 nan 0.000 0.443 21 K N -0.504 119.934 120.400 0.063 0.000 2.063 21 K HA -0.090 4.230 4.320 0.000 0.000 0.208 21 K C 1.877 178.638 176.600 0.269 0.000 1.048 21 K CA 1.562 57.939 56.287 0.149 0.000 0.928 21 K CB -0.383 32.184 32.500 0.111 0.000 0.713 21 K HN 0.477 nan 8.250 nan 0.000 0.442 22 L N 0.409 121.743 121.223 0.186 0.000 2.072 22 L HA -0.142 4.198 4.340 0.000 0.000 0.205 22 L C 2.657 179.697 176.870 0.283 0.000 1.079 22 L CA 1.521 56.527 54.840 0.277 0.000 0.752 22 L CB -0.787 41.323 42.059 0.086 0.000 0.906 22 L HN 0.370 nan 8.230 nan 0.000 0.436 23 T N -3.002 111.628 114.554 0.127 0.000 2.995 23 T HA 0.006 4.357 4.350 0.000 0.000 0.269 23 T C 1.865 176.489 174.700 -0.126 0.000 1.091 23 T CA 0.696 62.819 62.100 0.039 0.000 1.128 23 T CB -0.166 68.710 68.868 0.013 0.000 0.891 23 T HN 0.265 nan 8.240 nan 0.000 0.492 24 A N 1.762 124.528 122.820 -0.090 0.000 2.015 24 A HA -0.010 4.310 4.320 0.000 0.000 0.219 24 A C 2.120 179.518 177.584 -0.311 0.000 1.163 24 A CA 0.967 52.878 52.037 -0.209 0.000 0.646 24 A CB -0.291 18.666 19.000 -0.072 0.000 0.806 24 A HN 0.424 nan 8.150 nan 0.000 0.448 25 E N -1.413 118.721 120.200 -0.110 0.000 2.403 25 E HA 0.164 4.514 4.350 0.000 0.000 0.188 25 E C -0.801 175.775 176.600 -0.040 0.000 1.056 25 E CA -0.337 56.017 56.400 -0.077 0.000 0.892 25 E CB -0.394 29.289 29.700 -0.028 0.000 1.049 25 E HN 0.592 nan 8.360 nan 0.000 0.465 26 Y N -2.124 118.155 120.300 -0.035 0.000 4.490 26 Y HA -0.310 4.240 4.550 0.000 0.000 0.233 26 Y C -0.175 175.637 175.900 -0.147 0.000 1.101 26 Y CA 0.141 58.188 58.100 -0.089 0.000 2.010 26 Y CB -3.023 35.359 38.460 -0.130 0.000 1.622 26 Y HN 0.145 nan 8.280 nan 0.000 0.675 27 Y N 0.510 120.886 120.300 0.127 0.000 2.326 27 Y HA 0.297 4.847 4.550 0.000 0.000 0.333 27 Y C 0.973 176.918 175.900 0.075 0.000 1.240 27 Y CA -0.671 57.491 58.100 0.104 0.000 1.365 27 Y CB 0.500 39.023 38.460 0.105 0.000 1.289 27 Y HN 0.139 nan 8.280 nan 0.000 0.548 28 E N 1.938 122.277 120.200 0.232 0.000 2.081 28 E HA 0.452 4.802 4.350 0.000 0.000 0.281 28 E C -1.739 174.929 176.600 0.114 0.000 0.986 28 E CA -0.404 56.079 56.400 0.138 0.000 0.796 28 E CB 0.551 30.314 29.700 0.104 0.000 1.085 28 E HN 0.420 nan 8.360 nan 0.000 0.398 29 V N 4.263 124.227 119.914 0.084 0.000 2.417 29 V HA 0.350 4.470 4.120 0.000 0.000 0.291 29 V C -0.008 176.104 176.094 0.029 0.000 1.024 29 V CA -0.654 61.677 62.300 0.051 0.000 0.861 29 V CB 1.461 33.310 31.823 0.044 0.000 0.985 29 V HN 0.763 nan 8.190 nan 0.000 0.436 30 S N 2.695 118.404 115.700 0.015 0.000 2.648 30 S HA 0.929 5.399 4.470 0.000 0.000 0.305 30 S C -0.240 174.357 174.600 -0.007 0.000 1.094 30 S CA -0.493 57.711 58.200 0.006 0.000 0.983 30 S CB 2.206 65.409 63.200 0.006 0.000 1.101 30 S HN 0.955 nan 8.310 nan 0.000 0.514 31 T N -2.401 112.148 114.554 -0.009 0.000 2.906 31 T HA 0.869 5.219 4.350 0.000 0.000 0.295 31 T C -0.724 173.966 174.700 -0.017 0.000 1.075 31 T CA -0.797 61.293 62.100 -0.016 0.000 1.005 31 T CB 1.409 70.268 68.868 -0.015 0.000 1.136 31 T HN 1.563 nan 8.240 nan 0.000 0.498 32 A N 1.471 124.278 122.820 -0.022 0.000 2.520 32 A HA 0.747 5.067 4.320 0.000 0.000 0.298 32 A C 0.031 177.601 177.584 -0.025 0.000 1.051 32 A CA -0.851 51.173 52.037 -0.022 0.000 0.690 32 A CB 1.864 20.850 19.000 -0.024 0.000 1.281 32 A HN 0.851 nan 8.150 nan 0.000 0.402 33 M N 0.914 120.501 119.600 -0.021 0.000 2.371 33 M HA 0.227 4.707 4.480 0.000 0.000 0.246 33 M C -0.324 175.962 176.300 -0.023 0.000 1.103 33 M CA 0.739 56.026 55.300 -0.022 0.000 1.010 33 M CB -0.070 32.520 32.600 -0.017 0.000 1.457 33 M HN 0.870 nan 8.290 nan 0.000 0.486 34 D N -4.166 116.220 120.400 -0.024 0.000 2.692 34 D HA 0.451 5.091 4.640 0.000 0.000 0.290 34 D C 0.759 177.045 176.300 -0.024 0.000 1.281 34 D CA -0.546 53.440 54.000 -0.023 0.000 0.804 34 D CB -0.016 40.774 40.800 -0.017 0.000 1.331 34 D HN -0.142 nan 8.370 nan 0.000 0.432 35 G N -0.540 108.246 108.800 -0.023 0.000 2.464 35 G HA2 -0.044 3.916 3.960 0.000 0.000 0.214 35 G HA3 -0.044 3.916 3.960 0.000 0.000 0.214 35 G C -0.876 174.014 174.900 -0.017 0.000 1.218 35 G CA 0.883 45.969 45.100 -0.022 0.000 0.794 35 G HN 0.491 nan 8.290 nan 0.000 0.542 36 P HA -0.084 nan 4.420 nan 0.000 0.216 36 P C 2.029 179.323 177.300 -0.010 0.000 1.150 36 P CA 1.886 64.981 63.100 -0.009 0.000 0.843 36 P CB -0.254 31.442 31.700 -0.006 0.000 0.787 37 T N -0.668 113.879 114.554 -0.012 0.000 2.708 37 T HA -0.148 4.202 4.350 0.000 0.000 0.266 37 T C 1.909 176.600 174.700 -0.015 0.000 1.037 37 T CA 1.694 63.786 62.100 -0.012 0.000 1.146 37 T CB -1.000 67.860 68.868 -0.013 0.000 0.865 37 T HN 0.062 nan 8.240 nan 0.000 0.435 38 A N 1.223 124.031 122.820 -0.020 0.000 1.908 38 A HA -0.011 4.309 4.320 0.000 0.000 0.218 38 A C 2.312 179.882 177.584 -0.023 0.000 1.181 38 A CA 1.285 53.306 52.037 -0.025 0.000 0.627 38 A CB -0.877 18.104 19.000 -0.033 0.000 0.818 38 A HN 0.479 nan 8.150 nan 0.000 0.445 39 L N -0.895 120.316 121.223 -0.019 0.000 2.056 39 L HA -0.166 4.174 4.340 0.000 0.000 0.207 39 L C 3.077 179.940 176.870 -0.012 0.000 1.078 39 L CA 1.045 55.875 54.840 -0.016 0.000 0.749 39 L CB -0.535 41.517 42.059 -0.011 0.000 0.901 39 L HN 0.425 nan 8.230 nan 0.000 0.433 40 A N -0.301 122.513 122.820 -0.009 0.000 1.930 40 A HA -0.192 4.129 4.320 0.000 0.000 0.217 40 A C 2.302 179.882 177.584 -0.006 0.000 1.175 40 A CA 1.621 53.655 52.037 -0.006 0.000 0.627 40 A CB -0.419 18.579 19.000 -0.004 0.000 0.815 40 A HN 0.339 nan 8.150 nan 0.000 0.443 41 M N -0.744 118.851 119.600 -0.009 0.000 2.200 41 M HA -0.055 4.425 4.480 0.000 0.000 0.265 41 M C 2.519 178.813 176.300 -0.011 0.000 1.066 41 M CA 1.180 56.475 55.300 -0.008 0.000 1.127 41 M CB -0.324 32.270 32.600 -0.011 0.000 1.379 41 M HN 0.469 nan 8.290 nan 0.000 0.420 42 A N 0.536 123.345 122.820 -0.018 0.000 1.902 42 A HA -0.053 4.267 4.320 0.000 0.000 0.217 42 A C 2.357 179.932 177.584 -0.015 0.000 1.181 42 A CA 1.918 53.939 52.037 -0.026 0.000 0.623 42 A CB -0.923 18.053 19.000 -0.041 0.000 0.818 42 A HN 0.478 nan 8.150 nan 0.000 0.443 43 A N -0.576 122.239 122.820 -0.008 0.000 1.930 43 A HA -0.137 4.183 4.320 0.000 0.000 0.217 43 A C 2.274 179.865 177.584 0.010 0.000 1.175 43 A CA 1.663 53.703 52.037 0.004 0.000 0.627 43 A CB -0.434 18.568 19.000 0.004 0.000 0.815 43 A HN 0.548 nan 8.150 nan 0.000 0.443 44 R N -0.777 119.727 120.500 0.006 0.000 2.075 44 R HA -0.091 4.249 4.340 0.000 0.000 0.226 44 R C 0.767 177.075 176.300 0.012 0.000 1.114 44 R CA 1.613 57.719 56.100 0.009 0.000 0.972 44 R CB -0.094 30.209 30.300 0.005 0.000 0.869 44 R HN 0.395 nan 8.270 nan 0.000 0.437 45 D N 0.222 120.628 120.400 0.010 0.000 2.338 45 D HA 0.086 4.726 4.640 0.000 0.000 0.208 45 D C 0.423 176.734 176.300 0.020 0.000 0.997 45 D CA 0.226 54.234 54.000 0.013 0.000 0.880 45 D CB 0.260 41.065 40.800 0.009 0.000 0.980 45 D HN 0.154 nan 8.370 nan 0.000 0.509 46 L N 1.341 122.575 121.223 0.018 0.000 3.823 46 L HA -0.154 4.186 4.340 0.000 0.000 0.525 46 L C -2.091 174.790 176.870 0.017 0.000 1.247 46 L CA -0.549 54.307 54.840 0.028 0.000 0.776 46 L CB -1.519 40.587 42.059 0.078 0.000 1.443 46 L HN 0.079 nan 8.230 nan 0.000 0.831 47 P HA 0.021 nan 4.420 nan 0.000 0.271 47 P C 0.444 177.735 177.300 -0.015 0.000 1.244 47 P CA -0.136 62.960 63.100 -0.007 0.000 0.793 47 P CB 0.861 32.547 31.700 -0.023 0.000 0.984 48 D N -0.184 120.220 120.400 0.006 0.000 2.137 48 D HA 0.028 4.668 4.640 0.000 0.000 0.202 48 D C 1.086 177.368 176.300 -0.031 0.000 0.970 48 D CA 1.380 55.385 54.000 0.008 0.000 0.837 48 D CB 0.145 40.974 40.800 0.049 0.000 0.981 48 D HN 0.484 nan 8.370 nan 0.000 0.475 49 I N -2.865 117.682 120.570 -0.039 0.000 3.095 49 I HA 0.472 4.642 4.170 0.000 0.000 0.310 49 I C -1.466 174.606 176.117 -0.075 0.000 1.196 49 I CA -1.077 60.184 61.300 -0.065 0.000 0.985 49 I CB 2.750 40.714 38.000 -0.060 0.000 1.250 49 I HN -0.346 nan 8.210 nan 0.000 0.446 50 I N 4.124 124.643 120.570 -0.085 0.000 2.418 50 I HA 0.372 4.542 4.170 0.000 0.000 0.287 50 I C -1.257 174.806 176.117 -0.091 0.000 1.008 50 I CA -0.719 60.531 61.300 -0.084 0.000 1.104 50 I CB 1.882 39.833 38.000 -0.082 0.000 1.264 50 I HN 0.355 nan 8.210 nan 0.000 0.438 51 L N 7.321 128.489 121.223 -0.092 0.000 2.264 51 L HA 0.499 4.839 4.340 0.000 0.000 0.289 51 L C -0.532 176.287 176.870 -0.086 0.000 1.044 51 L CA -0.114 54.669 54.840 -0.096 0.000 0.807 51 L CB 1.135 43.130 42.059 -0.107 0.000 1.192 51 L HN 0.457 nan 8.230 nan 0.000 0.425 52 L N 3.037 124.207 121.223 -0.087 0.000 2.404 52 L HA 0.408 4.748 4.340 0.000 0.000 0.272 52 L C -0.863 175.945 176.870 -0.103 0.000 0.980 52 L CA -0.661 54.123 54.840 -0.093 0.000 0.836 52 L CB 2.058 44.059 42.059 -0.098 0.000 1.238 52 L HN 0.542 nan 8.230 nan 0.000 0.408 53 D N 1.850 122.188 120.400 -0.103 0.000 2.350 53 D HA 0.144 4.784 4.640 0.000 0.000 0.249 53 D C 1.191 177.379 176.300 -0.186 0.000 1.119 53 D CA -0.265 53.667 54.000 -0.114 0.000 0.886 53 D CB 1.688 42.436 40.800 -0.087 0.000 1.195 53 D HN 0.359 nan 8.370 nan 0.000 0.437 54 V N 1.881 121.648 119.914 -0.244 0.000 2.667 54 V HA 0.046 4.166 4.120 0.000 0.000 0.252 54 V C 1.082 176.974 176.094 -0.336 0.000 1.065 54 V CA 0.772 62.779 62.300 -0.488 0.000 1.083 54 V CB -0.544 30.904 31.823 -0.626 0.000 0.692 54 V HN 0.548 nan 8.190 nan 0.000 0.468 55 M N 1.731 121.233 119.600 -0.164 0.000 2.094 55 M HA 0.572 5.052 4.480 0.000 0.000 0.348 55 M C -0.874 175.385 176.300 -0.068 0.000 1.267 55 M CA 0.498 55.748 55.300 -0.083 0.000 1.125 55 M CB 0.821 33.395 32.600 -0.042 0.000 1.527 55 M HN 0.368 nan 8.290 nan 0.000 0.447 56 M N 5.253 124.819 119.600 -0.057 0.000 2.421 56 M HA 0.480 4.960 4.480 0.000 0.000 0.287 56 M C -2.462 173.827 176.300 -0.019 0.000 1.183 56 M CA -1.641 53.635 55.300 -0.039 0.000 0.916 56 M CB 2.831 35.401 32.600 -0.049 0.000 1.701 56 M HN 0.304 nan 8.290 nan 0.000 0.470 57 P HA 0.288 nan 4.420 nan 0.000 0.275 57 P C 0.597 177.896 177.300 -0.002 0.000 1.228 57 P CA 0.643 63.740 63.100 -0.004 0.000 0.786 57 P CB 1.187 32.884 31.700 -0.004 0.000 0.927 58 G N 2.403 111.206 108.800 0.004 0.000 4.655 58 G HA2 -0.289 3.671 3.960 0.000 0.000 0.220 58 G HA3 -0.289 3.671 3.960 0.000 0.000 0.220 58 G C -0.024 174.882 174.900 0.009 0.000 1.403 58 G CA 0.452 45.555 45.100 0.005 0.000 0.931 58 G HN 0.708 nan 8.290 nan 0.000 0.654 59 M N 2.711 122.313 119.600 0.004 0.000 2.093 59 M HA 0.485 4.965 4.480 0.000 0.000 0.297 59 M C -0.731 175.566 176.300 -0.005 0.000 0.938 59 M CA -0.627 54.677 55.300 0.006 0.000 0.920 59 M CB 1.316 33.917 32.600 0.002 0.000 1.517 59 M HN 0.581 nan 8.290 nan 0.000 0.427 60 D N 3.140 123.544 120.400 0.006 0.000 2.411 60 D HA 0.350 4.991 4.640 0.000 0.000 0.251 60 D C 1.169 177.415 176.300 -0.091 0.000 1.201 60 D CA -0.262 53.716 54.000 -0.035 0.000 0.996 60 D CB 0.518 41.326 40.800 0.014 0.000 1.101 60 D HN 0.642 nan 8.370 nan 0.000 0.504 61 G N -0.783 107.872 108.800 -0.243 0.000 2.432 61 G HA2 -0.231 3.729 3.960 0.000 0.000 0.219 61 G HA3 -0.231 3.729 3.960 0.000 0.000 0.219 61 G C 1.119 175.881 174.900 -0.231 0.000 1.135 61 G CA 0.381 45.309 45.100 -0.285 0.000 0.767 61 G HN 0.418 nan 8.290 nan 0.000 0.550 62 F N 1.489 121.449 119.950 0.017 0.000 2.102 62 F HA -0.030 4.497 4.527 0.000 0.000 0.298 62 F C 3.040 178.846 175.800 0.011 0.000 1.105 62 F CA 1.523 59.535 58.000 0.020 0.000 1.239 62 F CB -1.194 37.820 39.000 0.024 0.000 0.991 62 F HN 0.010 nan 8.300 nan 0.000 0.474 63 T N 0.088 114.748 114.554 0.176 0.000 2.684 63 T HA -0.152 4.198 4.350 0.000 0.000 0.267 63 T C 2.299 177.029 174.700 0.050 0.000 1.036 63 T CA 1.557 63.715 62.100 0.096 0.000 1.148 63 T CB -0.687 68.222 68.868 0.069 0.000 0.863 63 T HN 0.028 nan 8.240 nan 0.000 0.436 64 V N 0.803 120.728 119.914 0.018 0.000 2.255 64 V HA -0.239 3.881 4.120 0.000 0.000 0.247 64 V C 2.837 178.931 176.094 -0.000 0.000 1.051 64 V CA 1.735 64.032 62.300 -0.005 0.000 1.018 64 V CB -0.897 30.906 31.823 -0.035 0.000 0.641 64 V HN 0.687 nan 8.190 nan 0.000 0.445 65 C N 0.088 119.391 119.300 0.005 0.000 2.393 65 C HA -0.236 4.224 4.460 0.000 0.000 0.276 65 C C 2.999 178.006 174.990 0.028 0.000 1.215 65 C CA 1.852 60.878 59.018 0.014 0.000 1.743 65 C CB -1.098 26.668 27.740 0.043 0.000 2.044 65 C HN 0.533 nan 8.230 nan 0.000 0.464 66 R N 0.179 120.712 120.500 0.055 0.000 2.083 66 R HA -0.148 4.192 4.340 0.000 0.000 0.237 66 R C 2.428 178.743 176.300 0.026 0.000 1.137 66 R CA 1.965 58.092 56.100 0.045 0.000 0.951 66 R CB -0.254 30.079 30.300 0.056 0.000 0.851 66 R HN 0.584 nan 8.270 nan 0.000 0.434 67 K N 0.253 120.665 120.400 0.021 0.000 2.147 67 K HA -0.121 4.199 4.320 0.000 0.000 0.205 67 K C 2.028 178.630 176.600 0.002 0.000 1.049 67 K CA 1.050 57.344 56.287 0.011 0.000 0.936 67 K CB -0.079 32.426 32.500 0.009 0.000 0.722 67 K HN 0.175 nan 8.250 nan 0.000 0.446 68 L N 0.861 122.081 121.223 -0.005 0.000 2.131 68 L HA -0.193 4.147 4.340 0.000 0.000 0.210 68 L C 2.028 178.889 176.870 -0.015 0.000 1.092 68 L CA 1.062 55.890 54.840 -0.020 0.000 0.759 68 L CB -0.167 41.870 42.059 -0.036 0.000 0.903 68 L HN 0.064 nan 8.230 nan 0.000 0.435 69 K N -0.657 119.741 120.400 -0.003 0.000 2.314 69 K HA -0.020 4.300 4.320 0.000 0.000 0.198 69 K C 1.321 177.928 176.600 0.012 0.000 1.045 69 K CA 0.607 56.897 56.287 0.005 0.000 0.988 69 K CB -0.103 32.404 32.500 0.012 0.000 0.783 69 K HN 0.235 nan 8.250 nan 0.000 0.484 70 D N 1.247 121.654 120.400 0.012 0.000 2.183 70 D HA -0.101 4.539 4.640 0.000 0.000 0.203 70 D C 0.390 176.698 176.300 0.013 0.000 0.969 70 D CA 0.819 54.826 54.000 0.013 0.000 0.842 70 D CB -0.045 40.763 40.800 0.012 0.000 0.957 70 D HN 0.093 nan 8.370 nan 0.000 0.484 71 D N 0.612 121.018 120.400 0.011 0.000 2.339 71 D HA 0.021 4.661 4.640 0.000 0.000 0.256 71 D C -1.555 174.760 176.300 0.025 0.000 1.214 71 D CA -1.758 52.250 54.000 0.014 0.000 0.877 71 D CB 1.881 42.687 40.800 0.009 0.000 1.111 71 D HN -0.019 nan 8.370 nan 0.000 0.478 72 P HA -0.084 nan 4.420 nan 0.000 0.225 72 P C 1.080 178.418 177.300 0.063 0.000 1.148 72 P CA 0.732 63.855 63.100 0.038 0.000 0.779 72 P CB 0.322 32.035 31.700 0.023 0.000 0.780 73 T N -0.640 113.949 114.554 0.060 0.000 2.904 73 T HA -0.047 4.303 4.350 0.000 0.000 0.267 73 T C 1.646 176.431 174.700 0.142 0.000 1.059 73 T CA 2.100 64.253 62.100 0.089 0.000 1.137 73 T CB -0.562 68.337 68.868 0.053 0.000 0.879 73 T HN 0.350 nan 8.240 nan 0.000 0.467 74 T N -0.933 113.656 114.554 0.058 0.000 3.010 74 T HA 0.275 4.625 4.350 0.000 0.000 0.257 74 T C 1.653 176.290 174.700 -0.106 0.000 1.020 74 T CA -0.310 61.755 62.100 -0.059 0.000 0.938 74 T CB 0.098 68.928 68.868 -0.062 0.000 1.049 74 T HN 0.148 nan 8.240 nan 0.000 0.522 75 R N 1.637 122.142 120.500 0.009 0.000 2.140 75 R HA -0.280 4.060 4.340 0.000 0.000 0.250 75 R C 2.277 178.578 176.300 0.002 0.000 1.150 75 R CA 2.566 58.676 56.100 0.017 0.000 0.966 75 R CB -0.557 29.779 30.300 0.061 0.000 0.869 75 R HN 0.862 nan 8.270 nan 0.000 0.445 76 H N -1.618 117.438 119.070 -0.024 0.000 2.546 76 H HA 0.148 4.704 4.556 0.000 0.000 0.277 76 H C 0.276 175.561 175.328 -0.072 0.000 1.004 76 H CA 0.227 56.250 56.048 -0.043 0.000 1.231 76 H CB -0.159 29.578 29.762 -0.043 0.000 1.382 76 H HN 0.149 nan 8.280 nan 0.000 0.580 77 I N 3.106 123.373 120.570 -0.505 0.000 2.396 77 I HA 0.177 4.347 4.170 0.000 0.000 0.289 77 I C -2.129 173.878 176.117 -0.184 0.000 1.056 77 I CA -2.389 58.684 61.300 -0.378 0.000 1.365 77 I CB 0.982 38.750 38.000 -0.387 0.000 1.407 77 I HN 0.049 nan 8.210 nan 0.000 0.509 78 P HA 0.028 nan 4.420 nan 0.000 0.264 78 P C -0.806 176.442 177.300 -0.086 0.000 1.193 78 P CA 0.079 63.136 63.100 -0.072 0.000 0.763 78 P CB 0.490 32.175 31.700 -0.025 0.000 0.810 79 V N 5.091 124.952 119.914 -0.089 0.000 2.409 79 V HA 0.255 4.375 4.120 0.000 0.000 0.291 79 V C 0.097 176.107 176.094 -0.140 0.000 1.020 79 V CA -0.672 61.566 62.300 -0.103 0.000 0.848 79 V CB 2.174 33.943 31.823 -0.090 0.000 0.990 79 V HN 0.196 nan 8.190 nan 0.000 0.430 80 V N 6.467 126.299 119.914 -0.137 0.000 2.370 80 V HA 0.445 4.565 4.120 0.000 0.000 0.279 80 V C -0.030 175.987 176.094 -0.128 0.000 1.029 80 V CA -0.483 61.718 62.300 -0.166 0.000 0.870 80 V CB 1.570 33.318 31.823 -0.125 0.000 0.984 80 V HN 0.629 nan 8.190 nan 0.000 0.451 81 L N 5.620 126.766 121.223 -0.128 0.000 2.292 81 L HA 0.488 4.828 4.340 0.000 0.000 0.284 81 L C -0.423 176.498 176.870 0.086 0.000 1.065 81 L CA -0.579 54.262 54.840 0.002 0.000 0.806 81 L CB 1.248 43.384 42.059 0.128 0.000 1.175 81 L HN 0.409 nan 8.230 nan 0.000 0.431 82 I N 2.557 123.136 120.570 0.015 0.000 2.301 82 I HA 0.223 4.393 4.170 0.000 0.000 0.292 82 I C 0.698 176.827 176.117 0.020 0.000 1.046 82 I CA -0.117 61.193 61.300 0.016 0.000 1.282 82 I CB 0.653 38.634 38.000 -0.032 0.000 1.409 82 I HN 0.599 nan 8.210 nan 0.000 0.484 83 T N 2.730 117.315 114.554 0.052 0.000 2.937 83 T HA 0.846 5.196 4.350 0.000 0.000 0.283 83 T C 0.287 174.992 174.700 0.008 0.000 1.012 83 T CA -0.764 61.356 62.100 0.033 0.000 0.997 83 T CB 2.070 70.956 68.868 0.030 0.000 1.136 83 T HN 0.598 nan 8.240 nan 0.000 0.551 84 A N 0.405 123.228 122.820 0.006 0.000 2.267 84 A HA 0.581 4.901 4.320 0.000 0.000 0.271 84 A C 1.531 179.110 177.584 -0.009 0.000 1.131 84 A CA -0.717 51.319 52.037 -0.002 0.000 0.818 84 A CB -0.342 18.659 19.000 0.002 0.000 1.118 84 A HN 0.995 nan 8.150 nan 0.000 0.501 85 L N -0.669 120.548 121.223 -0.010 0.000 1.970 85 L HA -0.133 4.207 4.340 0.000 0.000 0.212 85 L C 0.791 177.649 176.870 -0.020 0.000 1.071 85 L CA 1.876 56.707 54.840 -0.014 0.000 0.751 85 L CB -0.100 41.952 42.059 -0.011 0.000 0.889 85 L HN 0.785 nan 8.230 nan 0.000 0.432 86 D N -0.220 120.169 120.400 -0.018 0.000 2.483 86 D HA 0.143 4.783 4.640 0.000 0.000 0.220 86 D C 0.527 176.811 176.300 -0.027 0.000 1.173 86 D CA 0.210 54.196 54.000 -0.023 0.000 0.964 86 D CB 0.627 41.417 40.800 -0.017 0.000 1.046 86 D HN 0.265 nan 8.370 nan 0.000 0.517 87 G N 3.083 111.855 108.800 -0.046 0.000 3.805 87 G HA2 -0.025 3.936 3.960 0.000 0.000 0.290 87 G HA3 -0.025 3.936 3.960 0.000 0.000 0.290 87 G C 1.278 176.118 174.900 -0.099 0.000 1.077 87 G CA -0.404 44.662 45.100 -0.057 0.000 0.852 87 G HN 0.362 nan 8.290 nan 0.000 0.531 88 R N 0.328 120.777 120.500 -0.084 0.000 2.082 88 R HA -0.072 4.268 4.340 0.000 0.000 0.234 88 R C 2.617 178.859 176.300 -0.097 0.000 1.136 88 R CA 1.923 57.964 56.100 -0.099 0.000 0.935 88 R CB -0.598 29.660 30.300 -0.069 0.000 0.842 88 R HN 0.285 nan 8.270 nan 0.000 0.430 89 G N 0.750 109.511 108.800 -0.066 0.000 2.469 89 G HA2 -0.295 3.665 3.960 0.000 0.000 0.219 89 G HA3 -0.295 3.665 3.960 0.000 0.000 0.219 89 G C 0.902 175.757 174.900 -0.075 0.000 1.150 89 G CA 1.241 46.301 45.100 -0.067 0.000 0.763 89 G HN 0.376 nan 8.290 nan 0.000 0.561 90 D N 0.347 120.744 120.400 -0.006 0.000 2.104 90 D HA -0.059 4.581 4.640 0.000 0.000 0.194 90 D C 2.707 179.049 176.300 0.069 0.000 0.994 90 D CA 0.727 54.813 54.000 0.143 0.000 0.830 90 D CB -0.250 40.671 40.800 0.202 0.000 0.959 90 D HN 0.269 nan 8.370 nan 0.000 0.452 91 R N 0.014 120.402 120.500 -0.186 0.000 2.092 91 R HA 0.014 4.354 4.340 0.000 0.000 0.231 91 R C 2.540 178.750 176.300 -0.150 0.000 1.119 91 R CA 0.609 56.396 56.100 -0.522 0.000 0.970 91 R CB -0.217 29.580 30.300 -0.837 0.000 0.864 91 R HN 0.247 nan 8.270 nan 0.000 0.440 92 I N 0.540 121.044 120.570 -0.111 0.000 2.179 92 I HA -0.302 3.868 4.170 0.000 0.000 0.242 92 I C 2.727 178.816 176.117 -0.046 0.000 1.088 92 I CA 1.353 62.621 61.300 -0.054 0.000 1.357 92 I CB -0.297 37.661 38.000 -0.071 0.000 1.051 92 I HN 0.261 nan 8.210 nan 0.000 0.409 93 Q N 0.752 120.467 119.800 -0.141 0.000 2.167 93 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 93 Q C 2.239 178.178 176.000 -0.102 0.000 0.970 93 Q CA 1.568 57.198 55.803 -0.289 0.000 0.855 93 Q CB -0.184 28.089 28.738 -0.775 0.000 0.911 93 Q HN 0.589 nan 8.270 nan 0.000 0.438 94 G N 0.794 109.714 108.800 0.200 0.000 2.418 94 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 94 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 94 G C 1.265 176.368 174.900 0.339 0.000 1.158 94 G CA 0.524 45.925 45.100 0.501 0.000 0.771 94 G HN 0.237 nan 8.290 nan 0.000 0.545 95 L N 1.667 123.086 121.223 0.326 0.000 2.017 95 L HA -0.072 4.268 4.340 0.000 0.000 0.208 95 L C 2.966 179.900 176.870 0.106 0.000 1.073 95 L CA 2.195 57.159 54.840 0.207 0.000 0.745 95 L CB -1.000 41.169 42.059 0.183 0.000 0.894 95 L HN 0.660 nan 8.230 nan 0.000 0.432 96 E N -1.340 118.900 120.200 0.067 0.000 2.418 96 E HA -0.108 4.242 4.350 0.000 0.000 0.197 96 E C 1.496 178.119 176.600 0.040 0.000 1.026 96 E CA 1.095 57.514 56.400 0.032 0.000 0.862 96 E CB -0.260 29.437 29.700 -0.004 0.000 0.799 96 E HN 0.535 nan 8.360 nan 0.000 0.518 97 S N -0.495 115.249 115.700 0.073 0.000 2.556 97 S HA 0.386 4.856 4.470 0.000 0.000 0.216 97 S C 1.435 176.085 174.600 0.083 0.000 0.970 97 S CA -0.008 58.248 58.200 0.094 0.000 0.912 97 S CB 0.743 64.047 63.200 0.173 0.000 0.790 97 S HN 0.521 nan 8.310 nan 0.000 0.504 98 G N 0.690 109.531 108.800 0.068 0.000 2.175 98 G HA2 0.035 3.995 3.960 0.000 0.000 0.182 98 G HA3 0.035 3.995 3.960 0.000 0.000 0.182 98 G C 0.190 175.092 174.900 0.004 0.000 1.003 98 G CA -0.354 44.767 45.100 0.036 0.000 0.666 98 G HN 1.027 nan 8.290 nan 0.000 0.506 99 A N 0.254 123.068 122.820 -0.010 0.000 2.445 99 A HA 0.730 5.050 4.320 0.000 0.000 0.242 99 A C 1.506 178.980 177.584 -0.182 0.000 1.075 99 A CA 1.245 53.205 52.037 -0.127 0.000 0.777 99 A CB 0.562 19.427 19.000 -0.226 0.000 1.013 99 A HN 0.837 nan 8.150 nan 0.000 0.493 100 S N -0.092 115.485 115.700 -0.205 0.000 2.421 100 S HA 0.094 4.564 4.470 0.000 0.000 0.224 100 S C 0.496 174.946 174.600 -0.249 0.000 1.035 100 S CA 0.822 58.934 58.200 -0.146 0.000 0.953 100 S CB -0.053 63.114 63.200 -0.054 0.000 0.810 100 S HN 0.867 nan 8.310 nan 0.000 0.497 101 D N -1.967 118.161 120.400 -0.453 0.000 2.865 101 D HA 0.459 5.099 4.640 0.000 0.000 0.343 101 D C -1.892 173.916 176.300 -0.820 0.000 1.372 101 D CA -0.453 53.242 54.000 -0.507 0.000 0.862 101 D CB 1.002 41.698 40.800 -0.174 0.000 1.425 101 D HN 0.021 nan 8.370 nan 0.000 0.501 102 F N -0.144 119.804 119.950 -0.002 0.000 2.629 102 F HA 0.698 5.225 4.527 0.000 0.000 0.316 102 F C -0.583 175.204 175.800 -0.022 0.000 1.081 102 F CA -0.748 57.248 58.000 -0.007 0.000 0.954 102 F CB 1.357 40.361 39.000 0.006 0.000 1.337 102 F HN 0.053 nan 8.300 nan 0.000 0.474 103 L N 0.630 121.966 121.223 0.190 0.000 2.445 103 L HA 0.637 4.977 4.340 0.000 0.000 0.262 103 L C -0.691 176.218 176.870 0.065 0.000 0.974 103 L CA -0.475 54.410 54.840 0.075 0.000 0.822 103 L CB 2.494 44.555 42.059 0.002 0.000 1.339 103 L HN 0.597 nan 8.230 nan 0.000 0.409 104 T N 2.249 116.821 114.554 0.030 0.000 2.794 104 T HA 0.478 4.828 4.350 0.000 0.000 0.280 104 T C -0.099 174.599 174.700 -0.004 0.000 0.987 104 T CA -0.730 61.378 62.100 0.012 0.000 0.993 104 T CB 1.235 70.105 68.868 0.004 0.000 0.939 104 T HN 0.299 nan 8.240 nan 0.000 0.449 105 K N 3.508 123.904 120.400 -0.007 0.000 2.218 105 K HA 0.334 4.654 4.320 0.000 0.000 0.276 105 K C -2.166 174.428 176.600 -0.011 0.000 1.022 105 K CA -1.674 54.605 56.287 -0.013 0.000 0.946 105 K CB 0.457 32.948 32.500 -0.015 0.000 1.000 105 K HN 0.363 nan 8.250 nan 0.000 0.468 106 P HA 0.114 nan 4.420 nan 0.000 0.275 106 P C -0.341 176.949 177.300 -0.017 0.000 1.227 106 P CA -0.102 62.989 63.100 -0.014 0.000 0.781 106 P CB 0.565 32.258 31.700 -0.010 0.000 0.906 107 I N 2.382 122.937 120.570 -0.026 0.000 2.533 107 I HA 0.027 4.197 4.170 0.000 0.000 0.284 107 I C 1.010 177.108 176.117 -0.032 0.000 1.109 107 I CA 0.230 61.507 61.300 -0.039 0.000 1.412 107 I CB 0.146 38.108 38.000 -0.064 0.000 1.396 107 I HN 0.301 nan 8.210 nan 0.000 0.543 108 D N 6.130 126.513 120.400 -0.028 0.000 2.295 108 D HA 0.035 4.675 4.640 0.000 0.000 0.248 108 D C 0.564 176.852 176.300 -0.020 0.000 1.154 108 D CA -0.270 53.724 54.000 -0.010 0.000 0.857 108 D CB 1.308 42.110 40.800 0.002 0.000 1.117 108 D HN 0.407 nan 8.370 nan 0.000 0.468 109 D N 2.812 123.220 120.400 0.014 0.000 2.123 109 D HA -0.143 4.497 4.640 0.000 0.000 0.196 109 D C 2.030 178.415 176.300 0.141 0.000 0.992 109 D CA 0.913 54.945 54.000 0.054 0.000 0.833 109 D CB 0.220 41.124 40.800 0.175 0.000 0.954 109 D HN 0.269 nan 8.370 nan 0.000 0.455 110 V N 0.881 120.875 119.914 0.133 0.000 2.358 110 V HA -0.235 3.885 4.120 0.000 0.000 0.246 110 V C 2.395 178.550 176.094 0.102 0.000 1.047 110 V CA 1.155 63.546 62.300 0.151 0.000 1.035 110 V CB -0.329 31.554 31.823 0.100 0.000 0.658 110 V HN 0.194 nan 8.190 nan 0.000 0.452 111 M N -0.626 118.998 119.600 0.040 0.000 2.086 111 M HA -0.144 4.336 4.480 0.000 0.000 0.261 111 M C 2.256 178.536 176.300 -0.034 0.000 1.067 111 M CA 1.711 57.019 55.300 0.012 0.000 1.116 111 M CB -1.550 31.050 32.600 0.000 0.000 1.348 111 M HN 0.389 nan 8.290 nan 0.000 0.407 112 L N 0.405 121.553 121.223 -0.124 0.000 1.997 112 L HA -0.205 4.135 4.340 0.000 0.000 0.216 112 L C 2.136 178.819 176.870 -0.313 0.000 1.074 112 L CA 2.159 56.819 54.840 -0.300 0.000 0.763 112 L CB -1.053 40.683 42.059 -0.538 0.000 0.890 112 L HN 0.127 nan 8.230 nan 0.000 0.434 113 F N -0.467 119.484 119.950 0.002 0.000 2.293 113 F HA 0.102 4.629 4.527 0.000 0.000 0.297 113 F C 2.443 178.263 175.800 0.033 0.000 1.089 113 F CA 0.821 58.834 58.000 0.022 0.000 1.377 113 F CB -1.299 37.739 39.000 0.064 0.000 1.051 113 F HN 0.186 nan 8.300 nan 0.000 0.511 114 A N 0.183 123.110 122.820 0.179 0.000 1.883 114 A HA -0.241 4.079 4.320 0.000 0.000 0.217 114 A C 2.254 179.881 177.584 0.072 0.000 1.186 114 A CA 1.970 54.075 52.037 0.114 0.000 0.624 114 A CB -0.642 18.407 19.000 0.081 0.000 0.822 114 A HN 0.227 nan 8.150 nan 0.000 0.444 115 R N -0.545 119.972 120.500 0.028 0.000 2.092 115 R HA -0.036 4.304 4.340 0.000 0.000 0.231 115 R C 1.922 178.218 176.300 -0.006 0.000 1.119 115 R CA 1.690 57.789 56.100 -0.002 0.000 0.970 115 R CB -0.817 29.461 30.300 -0.037 0.000 0.864 115 R HN 0.302 nan 8.270 nan 0.000 0.440 116 V N 0.454 120.353 119.914 -0.024 0.000 2.307 116 V HA -0.181 3.939 4.120 0.000 0.000 0.245 116 V C 2.315 178.447 176.094 0.063 0.000 1.045 116 V CA 1.925 64.198 62.300 -0.046 0.000 1.024 116 V CB -0.422 31.290 31.823 -0.186 0.000 0.651 116 V HN 0.313 nan 8.190 nan 0.000 0.449 117 R N -0.250 120.336 120.500 0.143 0.000 2.081 117 R HA -0.157 4.183 4.340 0.000 0.000 0.235 117 R C 2.686 179.061 176.300 0.125 0.000 1.131 117 R CA 1.647 57.853 56.100 0.177 0.000 0.960 117 R CB -0.561 29.849 30.300 0.183 0.000 0.856 117 R HN 0.483 nan 8.270 nan 0.000 0.436 118 S N 0.838 116.594 115.700 0.093 0.000 2.348 118 S HA -0.082 4.388 4.470 0.000 0.000 0.221 118 S C 1.907 176.570 174.600 0.105 0.000 1.033 118 S CA 1.100 59.345 58.200 0.075 0.000 1.010 118 S CB -0.079 63.144 63.200 0.040 0.000 0.891 118 S HN 0.216 nan 8.310 nan 0.000 0.442 119 L N 0.581 121.864 121.223 0.101 0.000 2.240 119 L HA -0.021 4.319 4.340 0.000 0.000 0.211 119 L C 2.675 179.632 176.870 0.146 0.000 1.106 119 L CA 1.083 56.013 54.840 0.150 0.000 0.793 119 L CB -0.777 41.332 42.059 0.084 0.000 0.927 119 L HN 0.325 nan 8.230 nan 0.000 0.446 120 T N -0.691 113.935 114.554 0.119 0.000 2.708 120 T HA -0.231 4.119 4.350 0.000 0.000 0.266 120 T C 2.065 176.846 174.700 0.135 0.000 1.037 120 T CA 1.278 63.454 62.100 0.126 0.000 1.146 120 T CB -0.160 68.811 68.868 0.170 0.000 0.865 120 T HN 0.234 nan 8.240 nan 0.000 0.435 121 R N -0.371 120.217 120.500 0.148 0.000 2.091 121 R HA -0.094 4.246 4.340 0.000 0.000 0.238 121 R C 2.237 178.660 176.300 0.206 0.000 1.136 121 R CA 1.300 57.489 56.100 0.147 0.000 0.959 121 R CB -0.409 29.966 30.300 0.125 0.000 0.856 121 R HN 0.329 nan 8.270 nan 0.000 0.437 122 F N 1.896 121.863 119.950 0.027 0.000 2.134 122 F HA -0.171 4.356 4.527 0.000 0.000 0.299 122 F C 2.098 177.921 175.800 0.038 0.000 1.097 122 F CA 1.568 59.572 58.000 0.008 0.000 1.264 122 F CB -0.425 38.555 39.000 -0.033 0.000 1.001 122 F HN -0.133 nan 8.300 nan 0.000 0.479 123 K N 0.794 121.194 120.400 0.001 0.000 2.147 123 K HA -0.116 4.204 4.320 0.000 0.000 0.205 123 K C 2.118 178.711 176.600 -0.011 0.000 1.049 123 K CA 1.440 57.672 56.287 -0.091 0.000 0.936 123 K CB -0.691 31.798 32.500 -0.018 0.000 0.722 123 K HN 0.413 nan 8.250 nan 0.000 0.446 124 L N -0.162 121.093 121.223 0.053 0.000 1.990 124 L HA -0.229 4.111 4.340 0.000 0.000 0.213 124 L C 2.186 179.099 176.870 0.073 0.000 1.072 124 L CA 1.531 56.411 54.840 0.066 0.000 0.755 124 L CB -0.652 41.457 42.059 0.083 0.000 0.889 124 L HN 0.018 nan 8.230 nan 0.000 0.432 125 V N -0.416 119.567 119.914 0.115 0.000 2.548 125 V HA -0.223 3.898 4.120 0.000 0.000 0.249 125 V C 2.281 178.483 176.094 0.180 0.000 1.055 125 V CA 1.340 63.745 62.300 0.175 0.000 1.065 125 V CB -0.338 31.660 31.823 0.291 0.000 0.681 125 V HN 0.311 nan 8.190 nan 0.000 0.462 126 I N 0.575 121.187 120.570 0.070 0.000 2.163 126 I HA -0.247 3.923 4.170 0.000 0.000 0.243 126 I C 2.296 178.420 176.117 0.012 0.000 1.085 126 I CA 1.745 63.075 61.300 0.051 0.000 1.347 126 I CB -0.444 37.449 38.000 -0.178 0.000 1.044 126 I HN 0.299 nan 8.210 nan 0.000 0.408 127 D N 0.324 120.723 120.400 -0.001 0.000 2.144 127 D HA -0.198 4.442 4.640 0.000 0.000 0.200 127 D C 2.024 178.310 176.300 -0.023 0.000 0.978 127 D CA 1.022 55.006 54.000 -0.028 0.000 0.833 127 D CB -0.211 40.588 40.800 -0.002 0.000 0.961 127 D HN 0.378 nan 8.370 nan 0.000 0.470 128 E N -0.077 120.129 120.200 0.011 0.000 2.051 128 E HA -0.173 4.177 4.350 0.000 0.000 0.192 128 E C 2.060 178.657 176.600 -0.005 0.000 0.991 128 E CA 0.501 56.909 56.400 0.014 0.000 0.799 128 E CB -0.062 29.664 29.700 0.044 0.000 0.748 128 E HN 0.070 nan 8.360 nan 0.000 0.449 129 L N 1.279 122.492 121.223 -0.018 0.000 2.046 129 L HA -0.164 4.176 4.340 0.000 0.000 0.208 129 L C 2.233 179.044 176.870 -0.099 0.000 1.077 129 L CA 1.718 56.507 54.840 -0.085 0.000 0.747 129 L CB -0.262 41.645 42.059 -0.253 0.000 0.896 129 L HN -0.001 nan 8.230 nan 0.000 0.432 130 R N -1.117 119.322 120.500 -0.102 0.000 2.096 130 R HA -0.153 4.187 4.340 0.000 0.000 0.235 130 R C 2.323 178.571 176.300 -0.085 0.000 1.127 130 R CA 1.557 57.588 56.100 -0.116 0.000 0.968 130 R CB -0.316 29.882 30.300 -0.171 0.000 0.861 130 R HN 0.558 nan 8.270 nan 0.000 0.440 131 Q N -0.123 119.639 119.800 -0.063 0.000 2.084 131 Q HA -0.121 4.219 4.340 0.000 0.000 0.202 131 Q C 2.088 178.070 176.000 -0.031 0.000 0.978 131 Q CA 1.082 56.859 55.803 -0.043 0.000 0.844 131 Q CB 0.101 28.822 28.738 -0.028 0.000 0.898 131 Q HN 0.197 nan 8.270 nan 0.000 0.426 132 R N 0.901 121.387 120.500 -0.023 0.000 2.103 132 R HA -0.169 4.171 4.340 0.000 0.000 0.234 132 R C 1.943 178.234 176.300 -0.015 0.000 1.132 132 R CA 1.582 57.677 56.100 -0.008 0.000 0.925 132 R CB -0.742 29.569 30.300 0.020 0.000 0.842 132 R HN 0.430 nan 8.270 nan 0.000 0.430 133 E N 0.458 120.640 120.200 -0.030 0.000 2.219 133 E HA -0.145 4.205 4.350 0.000 0.000 0.198 133 E C 1.610 178.189 176.600 -0.034 0.000 0.998 133 E CA 1.125 57.503 56.400 -0.037 0.000 0.818 133 E CB -0.114 29.547 29.700 -0.065 0.000 0.741 133 E HN 0.362 nan 8.360 nan 0.000 0.477 134 A N 0.389 123.187 122.820 -0.038 0.000 2.239 134 A HA -0.023 4.297 4.320 0.000 0.000 0.209 134 A C 1.947 179.518 177.584 -0.022 0.000 1.171 134 A CA 0.705 52.722 52.037 -0.033 0.000 0.768 134 A CB 0.030 19.007 19.000 -0.039 0.000 0.790 134 A HN 0.062 nan 8.150 nan 0.000 0.478 135 S N -0.424 115.266 115.700 -0.017 0.000 2.444 135 S HA 0.227 4.698 4.470 0.000 0.000 0.223 135 S C 1.396 175.991 174.600 -0.009 0.000 1.054 135 S CA 0.254 58.447 58.200 -0.012 0.000 0.947 135 S CB -0.399 62.795 63.200 -0.010 0.000 0.850 135 S HN 0.691 nan 8.310 nan 0.000 0.527 136 G N 0.771 109.567 108.800 -0.007 0.000 2.432 136 G HA2 0.373 4.333 3.960 0.000 0.000 0.239 136 G HA3 0.373 4.333 3.960 0.000 0.000 0.239 136 G C 0.372 175.268 174.900 -0.006 0.000 1.291 136 G CA -0.121 44.977 45.100 -0.004 0.000 0.863 136 G HN 0.273 nan 8.290 nan 0.000 0.560 137 R N 1.117 121.615 120.500 -0.004 0.000 2.517 137 R HA -0.041 4.299 4.340 0.000 0.000 0.076 137 R C 2.287 178.586 176.300 -0.001 0.000 0.836 137 R CA 0.316 56.414 56.100 -0.004 0.000 2.702 137 R CB -0.298 29.998 30.300 -0.005 0.000 1.407 137 R HN 0.599 nan 8.270 nan 0.000 0.512 138 R N 1.156 121.655 120.500 -0.000 0.000 2.113 138 R HA -0.005 4.335 4.340 0.000 0.000 0.231 138 R C 0.975 177.278 176.300 0.005 0.000 1.129 138 R CA 2.234 58.335 56.100 0.002 0.000 0.915 138 R CB -0.318 29.984 30.300 0.002 0.000 0.837 138 R HN 0.148 nan 8.270 nan 0.000 0.430 139 M N -0.118 119.487 119.600 0.007 0.000 2.848 139 M HA 0.361 4.841 4.480 0.000 0.000 0.420 139 M C 0.008 176.317 176.300 0.015 0.000 1.304 139 M CA -0.513 54.794 55.300 0.012 0.000 0.844 139 M CB 0.674 33.284 32.600 0.016 0.000 1.451 139 M HN 0.598 nan 8.290 nan 0.000 0.511 140 G N 1.112 109.918 108.800 0.011 0.000 2.386 140 G HA2 -0.194 3.766 3.960 0.000 0.000 0.286 140 G HA3 -0.194 3.766 3.960 0.000 0.000 0.286 140 G C 0.881 175.797 174.900 0.027 0.000 0.831 140 G CA 0.677 45.785 45.100 0.014 0.000 1.018 140 G HN 0.655 nan 8.290 nan 0.000 0.486 141 V N -1.273 118.657 119.914 0.027 0.000 4.654 141 V HA -0.342 3.778 4.120 0.000 0.000 0.261 141 V C 2.168 178.282 176.094 0.033 0.000 0.471 141 V CA 1.356 63.673 62.300 0.029 0.000 0.802 141 V CB -2.025 29.828 31.823 0.049 0.000 0.768 141 V HN 0.757 nan 8.190 nan 0.000 1.286 142 I N -0.498 120.090 120.570 0.031 0.000 2.689 142 I HA -0.296 3.874 4.170 0.000 0.000 0.267 142 I C 1.990 178.133 176.117 0.043 0.000 1.200 142 I CA 1.936 63.258 61.300 0.036 0.000 1.442 142 I CB -0.381 37.640 38.000 0.035 0.000 1.117 142 I HN 0.678 nan 8.210 nan 0.000 0.464 143 A N 0.897 123.740 122.820 0.038 0.000 2.462 143 A HA 0.533 4.854 4.320 0.000 0.000 0.261 143 A C 0.898 178.502 177.584 0.033 0.000 1.323 143 A CA 0.365 52.429 52.037 0.044 0.000 0.913 143 A CB -0.418 18.609 19.000 0.045 0.000 1.028 143 A HN 0.405 nan 8.150 nan 0.000 0.511 144 G N -1.083 107.736 108.800 0.032 0.000 2.739 144 G HA2 0.636 4.596 3.960 0.000 0.000 0.292 144 G HA3 0.636 4.596 3.960 0.000 0.000 0.292 144 G C -1.026 173.900 174.900 0.044 0.000 1.444 144 G CA 0.292 45.408 45.100 0.027 0.000 1.144 144 G HN 1.044 nan 8.290 nan 0.000 0.550 145 A N 0.727 123.569 122.820 0.037 0.000 2.497 145 A HA 1.024 5.344 4.320 0.000 0.000 0.280 145 A C -0.102 177.493 177.584 0.018 0.000 1.065 145 A CA 0.162 52.219 52.037 0.032 0.000 0.781 145 A CB 0.904 19.921 19.000 0.029 0.000 1.289 145 A HN 2.704 nan 8.150 nan 0.000 0.415 146 A N 0.958 123.791 122.820 0.021 0.000 1.776 146 A HA 0.589 4.909 4.320 0.000 0.000 0.508 146 A C -0.466 177.143 177.584 0.041 0.000 0.147 146 A CA 0.112 52.154 52.037 0.007 0.000 0.280 146 A CB -1.217 17.770 19.000 -0.023 0.000 2.874 146 A HN 2.747 nan 8.150 nan 0.000 0.457 147 A N 2.475 125.314 122.820 0.031 0.000 2.686 147 A HA 0.690 5.010 4.320 0.000 0.000 0.299 147 A C -0.459 177.128 177.584 0.004 0.000 1.151 147 A CA 0.112 52.184 52.037 0.059 0.000 0.851 147 A CB 0.556 19.622 19.000 0.110 0.000 1.448 147 A HN 1.542 nan 8.150 nan 0.000 0.404 148 R N 2.313 122.830 120.500 0.028 0.000 2.221 148 R HA 0.682 5.022 4.340 0.000 0.000 0.327 148 R C -0.505 175.823 176.300 0.047 0.000 1.033 148 R CA -0.424 55.692 56.100 0.027 0.000 0.887 148 R CB 0.414 30.737 30.300 0.039 0.000 1.057 148 R HN 0.653 nan 8.270 nan 0.000 0.455 149 L N 2.854 124.106 121.223 0.048 0.000 3.298 149 L HA 0.284 4.624 4.340 0.000 0.000 0.296 149 L C -0.473 176.510 176.870 0.188 0.000 1.237 149 L CA -0.504 54.420 54.840 0.140 0.000 1.038 149 L CB 0.629 42.719 42.059 0.051 0.000 1.423 149 L HN 0.633 nan 8.230 nan 0.000 0.605 150 D N 0.572 121.033 120.400 0.102 0.000 2.349 150 D HA 0.123 4.763 4.640 0.000 0.000 0.239 150 D C 1.372 177.713 176.300 0.068 0.000 1.315 150 D CA 0.623 54.669 54.000 0.076 0.000 0.937 150 D CB 0.690 41.512 40.800 0.036 0.000 1.133 150 D HN 0.091 nan 8.370 nan 0.000 0.489 151 G N -0.908 107.918 108.800 0.043 0.000 3.284 151 G HA2 0.245 4.205 3.960 0.000 0.000 0.236 151 G HA3 0.245 4.205 3.960 0.000 0.000 0.236 151 G C 0.181 175.139 174.900 0.097 0.000 1.158 151 G CA -0.133 44.991 45.100 0.040 0.000 0.774 151 G HN 0.164 nan 8.290 nan 0.000 0.545 152 L N -0.714 120.527 121.223 0.030 0.000 2.331 152 L HA 0.710 5.051 4.340 0.000 0.000 0.268 152 L C 1.273 178.108 176.870 -0.058 0.000 1.015 152 L CA -0.167 54.617 54.840 -0.092 0.000 0.807 152 L CB 1.270 43.256 42.059 -0.123 0.000 1.293 152 L HN 0.364 nan 8.230 nan 0.000 0.451 153 G N 0.466 109.171 108.800 -0.159 0.000 2.562 153 G HA2 0.174 4.134 3.960 0.000 0.000 0.250 153 G HA3 0.174 4.134 3.960 0.000 0.000 0.250 153 G C 0.165 175.151 174.900 0.144 0.000 1.269 153 G CA -0.130 44.956 45.100 -0.023 0.000 0.919 153 G HN 1.682 nan 8.290 nan 0.000 0.574 154 G N -1.434 107.445 108.800 0.131 0.000 3.019 154 G HA2 0.328 4.288 3.960 0.000 0.000 0.686 154 G HA3 0.328 4.288 3.960 0.000 0.000 0.686 154 G C -0.276 174.705 174.900 0.135 0.000 1.056 154 G CA 0.809 46.001 45.100 0.154 0.000 0.774 154 G HN 1.520 nan 8.290 nan 0.000 0.583 155 R N 1.121 121.669 120.500 0.080 0.000 2.202 155 R HA 0.574 4.914 4.340 0.000 0.000 0.334 155 R C -0.095 176.220 176.300 0.026 0.000 1.036 155 R CA -0.573 55.559 56.100 0.054 0.000 0.878 155 R CB 0.982 31.309 30.300 0.045 0.000 1.067 155 R HN 0.514 nan 8.270 nan 0.000 0.457 156 V N 6.780 126.698 119.914 0.008 0.000 2.334 156 V HA 0.241 4.361 4.120 0.000 0.000 0.281 156 V C -0.581 175.509 176.094 -0.007 0.000 1.016 156 V CA -0.896 61.389 62.300 -0.024 0.000 0.832 156 V CB 1.296 33.068 31.823 -0.085 0.000 0.999 156 V HN 0.602 nan 8.190 nan 0.000 0.439 157 L N 7.365 128.591 121.223 0.005 0.000 2.278 157 L HA 0.542 4.882 4.340 0.000 0.000 0.287 157 L C -0.296 176.577 176.870 0.005 0.000 1.072 157 L CA 0.413 55.259 54.840 0.011 0.000 0.819 157 L CB 0.605 42.683 42.059 0.033 0.000 1.176 157 L HN 0.527 nan 8.230 nan 0.000 0.435 158 I N 6.270 126.834 120.570 -0.009 0.000 2.306 158 I HA 0.245 4.415 4.170 0.000 0.000 0.288 158 I C -0.566 175.529 176.117 -0.037 0.000 1.036 158 I CA -0.577 60.716 61.300 -0.012 0.000 1.221 158 I CB 1.258 39.254 38.000 -0.008 0.000 1.385 158 I HN 0.242 nan 8.210 nan 0.000 0.472 159 V N 5.457 125.337 119.914 -0.057 0.000 2.288 159 V HA 0.410 4.530 4.120 0.000 0.000 0.266 159 V C -0.522 175.584 176.094 0.019 0.000 1.048 159 V CA -0.126 62.074 62.300 -0.167 0.000 0.842 159 V CB 0.712 32.271 31.823 -0.441 0.000 1.064 159 V HN 0.655 nan 8.190 nan 0.000 0.472 160 D N 2.744 123.193 120.400 0.081 0.000 2.836 160 D HA 0.203 4.843 4.640 0.000 0.000 0.215 160 D C 0.071 176.475 176.300 0.173 0.000 1.255 160 D CA -0.400 53.713 54.000 0.189 0.000 0.822 160 D CB 2.366 43.207 40.800 0.069 0.000 1.656 160 D HN 0.497 nan 8.370 nan 0.000 0.511 161 D N 1.772 122.303 120.400 0.217 0.000 2.350 161 D HA -0.017 4.623 4.640 0.000 0.000 0.213 161 D C 0.096 176.419 176.300 0.039 0.000 1.031 161 D CA -0.095 53.988 54.000 0.138 0.000 0.861 161 D CB -0.356 40.544 40.800 0.167 0.000 0.926 161 D HN 0.366 nan 8.370 nan 0.000 0.520 162 N N 1.051 119.757 118.700 0.011 0.000 2.508 162 N HA -0.019 4.721 4.740 0.000 0.000 0.253 162 N C 1.080 176.591 175.510 0.002 0.000 1.145 162 N CA -0.211 52.835 53.050 -0.006 0.000 0.973 162 N CB 0.534 39.007 38.487 -0.023 0.000 1.305 162 N HN -0.030 nan 8.380 nan 0.000 0.506 163 E N 3.186 123.388 120.200 0.004 0.000 2.068 163 E HA -0.343 4.007 4.350 0.000 0.000 0.207 163 E C 1.859 178.459 176.600 0.001 0.000 1.032 163 E CA 1.819 58.221 56.400 0.004 0.000 0.839 163 E CB 0.006 29.708 29.700 0.003 0.000 0.758 163 E HN 0.652 nan 8.360 nan 0.000 0.457 164 R N -0.088 120.410 120.500 -0.002 0.000 2.081 164 R HA -0.180 4.160 4.340 0.000 0.000 0.235 164 R C 2.622 178.920 176.300 -0.003 0.000 1.131 164 R CA 1.960 58.058 56.100 -0.003 0.000 0.960 164 R CB -0.331 29.966 30.300 -0.005 0.000 0.856 164 R HN 0.403 nan 8.270 nan 0.000 0.436 165 Q N -0.383 119.414 119.800 -0.005 0.000 2.083 165 Q HA -0.098 4.242 4.340 0.000 0.000 0.198 165 Q C 1.995 177.995 176.000 -0.001 0.000 0.969 165 Q CA 1.373 57.174 55.803 -0.005 0.000 0.838 165 Q CB -0.094 28.639 28.738 -0.008 0.000 0.900 165 Q HN 0.490 nan 8.270 nan 0.000 0.436 166 A N 0.514 123.335 122.820 0.001 0.000 1.908 166 A HA -0.266 4.054 4.320 0.000 0.000 0.218 166 A C 1.957 179.542 177.584 0.002 0.000 1.181 166 A CA 1.842 53.881 52.037 0.004 0.000 0.627 166 A CB -0.611 18.393 19.000 0.007 0.000 0.818 166 A HN 0.388 nan 8.150 nan 0.000 0.445 167 Q N -0.734 119.067 119.800 0.002 0.000 2.172 167 Q HA -0.073 4.267 4.340 0.000 0.000 0.200 167 Q C 2.140 178.142 176.000 0.003 0.000 0.964 167 Q CA 1.771 57.575 55.803 0.002 0.000 0.855 167 Q CB -0.205 28.534 28.738 0.002 0.000 0.918 167 Q HN 0.684 nan 8.270 nan 0.000 0.444 168 R N -1.103 119.398 120.500 0.002 0.000 2.062 168 R HA -0.049 4.291 4.340 0.000 0.000 0.229 168 R C 1.870 178.173 176.300 0.004 0.000 1.128 168 R CA 1.335 57.436 56.100 0.002 0.000 0.960 168 R CB -0.455 29.845 30.300 -0.001 0.000 0.855 168 R HN 0.134 nan 8.270 nan 0.000 0.432 169 V N 1.388 121.304 119.914 0.003 0.000 2.287 169 V HA -0.270 3.850 4.120 0.000 0.000 0.248 169 V C 2.475 178.574 176.094 0.008 0.000 1.053 169 V CA 2.051 64.353 62.300 0.004 0.000 1.027 169 V CB -1.023 30.799 31.823 -0.000 0.000 0.646 169 V HN 0.601 nan 8.190 nan 0.000 0.447 170 A N -0.068 122.756 122.820 0.008 0.000 1.940 170 A HA -0.173 4.147 4.320 0.000 0.000 0.219 170 A C 2.423 180.020 177.584 0.021 0.000 1.176 170 A CA 2.331 54.376 52.037 0.013 0.000 0.631 170 A CB -0.790 18.215 19.000 0.010 0.000 0.814 170 A HN 0.608 nan 8.150 nan 0.000 0.446 171 A N -0.465 122.365 122.820 0.016 0.000 1.873 171 A HA -0.136 4.184 4.320 0.000 0.000 0.215 171 A C 1.936 179.535 177.584 0.024 0.000 1.186 171 A CA 1.594 53.641 52.037 0.017 0.000 0.616 171 A CB -0.437 18.569 19.000 0.011 0.000 0.823 171 A HN 0.478 nan 8.150 nan 0.000 0.442 172 E N 0.141 120.355 120.200 0.024 0.000 2.110 172 E HA -0.138 4.212 4.350 0.000 0.000 0.193 172 E C 1.913 178.549 176.600 0.060 0.000 0.988 172 E CA 0.978 57.397 56.400 0.033 0.000 0.804 172 E CB -0.359 29.356 29.700 0.025 0.000 0.745 172 E HN 0.674 nan 8.360 nan 0.000 0.458 173 L N -0.147 121.115 121.223 0.065 0.000 2.418 173 L HA 0.064 4.404 4.340 0.000 0.000 0.218 173 L C 2.216 179.172 176.870 0.143 0.000 1.125 173 L CA 0.604 55.519 54.840 0.124 0.000 0.835 173 L CB -0.299 41.792 42.059 0.054 0.000 0.953 173 L HN 0.112 nan 8.230 nan 0.000 0.454 174 G N -0.549 108.297 108.800 0.078 0.000 2.650 174 G HA2 -0.042 3.918 3.960 0.000 0.000 0.214 174 G HA3 -0.042 3.918 3.960 0.000 0.000 0.214 174 G C 1.472 176.395 174.900 0.037 0.000 1.136 174 G CA 0.256 45.390 45.100 0.058 0.000 0.789 174 G HN 0.165 nan 8.290 nan 0.000 0.536 175 V N 0.387 120.321 119.914 0.033 0.000 2.346 175 V HA -0.039 4.081 4.120 0.000 0.000 0.244 175 V C 2.254 178.328 176.094 -0.034 0.000 1.037 175 V CA 1.769 64.072 62.300 0.004 0.000 1.029 175 V CB -0.206 31.621 31.823 0.006 0.000 0.663 175 V HN 0.414 nan 8.190 nan 0.000 0.454 176 E N -2.022 118.139 120.200 -0.065 0.000 2.498 176 E HA 0.185 4.536 4.350 0.000 0.000 0.203 176 E C 0.129 176.423 176.600 -0.510 0.000 1.013 176 E CA -0.015 56.227 56.400 -0.264 0.000 0.927 176 E CB 0.416 29.929 29.700 -0.312 0.000 1.012 176 E HN 0.659 nan 8.360 nan 0.000 0.482 177 H N -0.535 118.538 119.070 0.006 0.000 2.959 177 H HA 0.467 5.023 4.556 0.000 0.000 0.296 177 H C -0.554 174.779 175.328 0.007 0.000 1.421 177 H CA -0.915 55.137 56.048 0.007 0.000 1.206 177 H CB 1.240 31.006 29.762 0.007 0.000 1.891 177 H HN -0.210 nan 8.280 nan 0.000 0.573 178 R N 1.660 122.258 120.500 0.164 0.000 2.587 178 R HA 0.264 4.604 4.340 0.000 0.000 0.283 178 R C -2.577 173.762 176.300 0.065 0.000 1.472 178 R CA -1.691 54.460 56.100 0.084 0.000 1.578 178 R CB 0.525 30.864 30.300 0.064 0.000 1.130 178 R HN 0.300 nan 8.270 nan 0.000 0.602 179 P HA 0.200 nan 4.420 nan 0.000 0.277 179 P C -0.701 176.609 177.300 0.018 0.000 1.240 179 P CA -0.277 62.840 63.100 0.029 0.000 0.798 179 P CB 1.645 33.360 31.700 0.026 0.000 0.979 180 V N 3.366 123.285 119.914 0.009 0.000 2.733 180 V HA 0.373 4.493 4.120 0.000 0.000 0.306 180 V C 0.088 176.179 176.094 -0.005 0.000 1.084 180 V CA -0.513 61.789 62.300 0.003 0.000 0.905 180 V CB 2.007 33.833 31.823 0.004 0.000 1.010 180 V HN 0.387 nan 8.190 nan 0.000 0.424 181 I N 4.041 124.606 120.570 -0.009 0.000 2.354 181 I HA 0.536 4.706 4.170 0.000 0.000 0.292 181 I C -0.353 175.746 176.117 -0.031 0.000 0.989 181 I CA -0.441 60.848 61.300 -0.017 0.000 1.188 181 I CB 1.659 39.653 38.000 -0.010 0.000 1.342 181 I HN 0.504 nan 8.210 nan 0.000 0.457 182 E N 4.125 124.292 120.200 -0.055 0.000 2.199 182 E HA 0.260 4.610 4.350 0.000 0.000 0.265 182 E C 0.104 176.638 176.600 -0.111 0.000 0.882 182 E CA -0.210 56.138 56.400 -0.086 0.000 0.759 182 E CB 2.129 31.757 29.700 -0.119 0.000 1.148 182 E HN 0.679 nan 8.360 nan 0.000 0.412 183 S N 0.691 116.340 115.700 -0.084 0.000 2.492 183 S HA 0.008 4.478 4.470 0.000 0.000 0.218 183 S C 0.544 175.065 174.600 -0.132 0.000 1.016 183 S CA -0.066 58.103 58.200 -0.052 0.000 0.916 183 S CB 0.289 63.494 63.200 0.008 0.000 0.791 183 S HN 0.341 nan 8.310 nan 0.000 0.513 184 D N 3.190 123.490 120.400 -0.167 0.000 2.317 184 D HA 0.336 4.976 4.640 0.000 0.000 0.234 184 D C -1.529 174.577 176.300 -0.323 0.000 1.112 184 D CA -2.447 51.437 54.000 -0.193 0.000 0.840 184 D CB 1.866 42.608 40.800 -0.096 0.000 1.078 184 D HN -0.005 nan 8.370 nan 0.000 0.486 185 P HA -0.144 nan 4.420 nan 0.000 0.217 185 P C 0.927 178.167 177.300 -0.100 0.000 1.150 185 P CA 0.911 63.698 63.100 -0.523 0.000 0.832 185 P CB 0.593 31.973 31.700 -0.534 0.000 0.787 186 E N 0.797 120.958 120.200 -0.065 0.000 2.077 186 E HA -0.156 4.194 4.350 0.000 0.000 0.193 186 E C 1.994 178.594 176.600 -0.001 0.000 0.989 186 E CA 1.163 57.563 56.400 -0.001 0.000 0.800 186 E CB -0.390 29.305 29.700 -0.008 0.000 0.746 186 E HN 0.419 nan 8.360 nan 0.000 0.452 187 K N 0.570 120.950 120.400 -0.034 0.000 2.097 187 K HA -0.060 4.260 4.320 0.000 0.000 0.206 187 K C 2.156 178.749 176.600 -0.010 0.000 1.049 187 K CA 1.078 57.349 56.287 -0.027 0.000 0.933 187 K CB -0.108 32.366 32.500 -0.042 0.000 0.717 187 K HN 0.028 nan 8.250 nan 0.000 0.442 188 A N 1.836 124.641 122.820 -0.026 0.000 1.969 188 A HA -0.161 4.159 4.320 0.000 0.000 0.218 188 A C 1.874 179.577 177.584 0.199 0.000 1.169 188 A CA 1.289 53.346 52.037 0.032 0.000 0.635 188 A CB -0.224 18.682 19.000 -0.156 0.000 0.810 188 A HN 0.175 nan 8.150 nan 0.000 0.445 189 K N -0.427 120.116 120.400 0.238 0.000 2.063 189 K HA -0.137 4.183 4.320 0.000 0.000 0.208 189 K C 1.754 178.379 176.600 0.041 0.000 1.048 189 K CA 1.740 58.102 56.287 0.124 0.000 0.928 189 K CB -0.390 32.148 32.500 0.063 0.000 0.713 189 K HN 0.557 nan 8.250 nan 0.000 0.442 190 I N 0.455 121.044 120.570 0.031 0.000 2.163 190 I HA -0.269 3.901 4.170 0.000 0.000 0.240 190 I C 2.320 178.441 176.117 0.006 0.000 1.081 190 I CA 1.025 62.329 61.300 0.006 0.000 1.353 190 I CB -0.292 37.708 38.000 -0.000 0.000 1.054 190 I HN 0.033 nan 8.210 nan 0.000 0.407 191 S N 0.736 116.446 115.700 0.016 0.000 2.380 191 S HA -0.280 4.190 4.470 0.000 0.000 0.229 191 S C 2.185 176.797 174.600 0.019 0.000 1.043 191 S CA 1.656 59.864 58.200 0.014 0.000 1.038 191 S CB -0.471 62.739 63.200 0.016 0.000 0.872 191 S HN 0.573 nan 8.310 nan 0.000 0.456 192 A N 0.961 123.805 122.820 0.040 0.000 2.015 192 A HA 0.151 4.471 4.320 0.000 0.000 0.219 192 A C 2.256 179.840 177.584 -0.000 0.000 1.163 192 A CA 1.479 53.538 52.037 0.036 0.000 0.646 192 A CB -1.069 17.965 19.000 0.057 0.000 0.806 192 A HN 0.531 nan 8.150 nan 0.000 0.448 193 G N -0.331 108.460 108.800 -0.015 0.000 2.471 193 G HA2 0.260 4.220 3.960 0.000 0.000 0.219 193 G HA3 0.260 4.220 3.960 0.000 0.000 0.219 193 G C 0.924 175.797 174.900 -0.046 0.000 1.125 193 G CA 0.828 45.907 45.100 -0.033 0.000 0.775 193 G HN 0.747 nan 8.290 nan 0.000 0.548 194 G N 0.395 109.174 108.800 -0.036 0.000 2.516 194 G HA2 0.432 4.392 3.960 0.000 0.000 0.276 194 G HA3 0.432 4.392 3.960 0.000 0.000 0.276 194 G C -2.208 172.672 174.900 -0.034 0.000 1.390 194 G CA -0.763 44.309 45.100 -0.048 0.000 1.050 194 G HN 0.066 nan 8.290 nan 0.000 0.519 195 P HA 0.253 nan 4.420 nan 0.000 0.252 195 P C -0.787 176.529 177.300 0.028 0.000 1.727 195 P CA 0.013 63.117 63.100 0.006 0.000 1.134 195 P CB 0.462 32.165 31.700 0.005 0.000 1.876 196 V N 3.369 123.302 119.914 0.032 0.000 2.540 196 V HA 0.213 4.333 4.120 0.000 0.000 0.302 196 V C 0.930 177.048 176.094 0.041 0.000 1.035 196 V CA -0.245 62.075 62.300 0.034 0.000 0.873 196 V CB 2.196 34.036 31.823 0.028 0.000 0.992 196 V HN 0.274 nan 8.190 nan 0.000 0.428 197 D N 2.550 122.973 120.400 0.038 0.000 2.346 197 D HA 0.212 4.852 4.640 0.000 0.000 0.206 197 D C -0.022 176.285 176.300 0.011 0.000 1.001 197 D CA 0.811 54.832 54.000 0.035 0.000 0.871 197 D CB 1.386 42.213 40.800 0.045 0.000 0.943 197 D HN 0.318 nan 8.370 nan 0.000 0.518 198 L N 0.058 121.283 121.223 0.003 0.000 2.643 198 L HA 0.266 4.606 4.340 0.000 0.000 0.257 198 L C -1.940 174.933 176.870 0.006 0.000 0.922 198 L CA -0.602 54.232 54.840 -0.010 0.000 0.909 198 L CB 2.056 44.086 42.059 -0.049 0.000 1.424 198 L HN -0.361 nan 8.230 nan 0.000 0.422 199 V N 5.482 125.412 119.914 0.028 0.000 2.483 199 V HA 0.569 4.689 4.120 0.000 0.000 0.295 199 V C -0.064 176.061 176.094 0.051 0.000 1.035 199 V CA -0.292 62.045 62.300 0.062 0.000 0.896 199 V CB 1.689 33.589 31.823 0.128 0.000 0.986 199 V HN 0.615 nan 8.190 nan 0.000 0.447 200 I N 5.115 125.710 120.570 0.042 0.000 2.389 200 I HA 0.520 4.690 4.170 0.000 0.000 0.288 200 I C -0.732 175.418 176.117 0.056 0.000 0.999 200 I CA -0.683 60.639 61.300 0.037 0.000 1.129 200 I CB 1.913 39.916 38.000 0.006 0.000 1.288 200 I HN 0.276 nan 8.210 nan 0.000 0.444 201 V N 4.739 124.703 119.914 0.083 0.000 2.555 201 V HA 0.341 4.461 4.120 0.000 0.000 0.302 201 V C 0.020 176.166 176.094 0.087 0.000 1.038 201 V CA -0.914 61.452 62.300 0.109 0.000 0.887 201 V CB 1.903 33.845 31.823 0.199 0.000 0.991 201 V HN 0.635 nan 8.190 nan 0.000 0.434 202 N N 2.823 121.573 118.700 0.084 0.000 2.399 202 N HA 0.250 4.990 4.740 0.000 0.000 0.259 202 N C 0.839 176.337 175.510 -0.019 0.000 1.160 202 N CA 0.281 53.337 53.050 0.010 0.000 0.946 202 N CB 1.653 40.114 38.487 -0.044 0.000 1.156 202 N HN 0.864 nan 8.380 nan 0.000 0.489 203 A N 3.055 125.875 122.820 -0.000 0.000 2.209 203 A HA 0.152 4.472 4.320 0.000 0.000 0.212 203 A C 1.276 178.825 177.584 -0.058 0.000 1.158 203 A CA 1.034 53.068 52.037 -0.004 0.000 0.742 203 A CB -0.009 19.005 19.000 0.022 0.000 0.790 203 A HN 0.638 nan 8.150 nan 0.000 0.472 204 A N -0.686 122.080 122.820 -0.090 0.000 2.637 204 A HA 0.695 5.015 4.320 0.000 0.000 0.293 204 A C 0.914 178.393 177.584 -0.175 0.000 1.216 204 A CA 0.366 52.340 52.037 -0.106 0.000 0.956 204 A CB -0.777 18.183 19.000 -0.066 0.000 1.174 204 A HN 0.798 nan 8.150 nan 0.000 0.525 205 A N 0.226 122.860 122.820 -0.310 0.000 2.429 205 A HA 0.357 4.677 4.320 0.000 0.000 0.242 205 A C 1.267 178.630 177.584 -0.367 0.000 1.088 205 A CA 0.687 52.434 52.037 -0.484 0.000 0.784 205 A CB 0.309 18.587 19.000 -1.204 0.000 1.038 205 A HN 0.487 nan 8.150 nan 0.000 0.501 206 K N -0.579 119.640 120.400 -0.301 0.000 2.262 206 K HA 0.032 4.352 4.320 0.000 0.000 0.200 206 K C 0.904 177.424 176.600 -0.132 0.000 1.058 206 K CA 0.588 56.775 56.287 -0.167 0.000 0.974 206 K CB 0.017 32.457 32.500 -0.099 0.000 0.910 206 K HN 0.719 nan 8.250 nan 0.000 0.484 207 N N 0.187 118.813 118.700 -0.123 0.000 2.392 207 N HA 0.052 4.792 4.740 0.000 0.000 0.177 207 N C -0.119 175.458 175.510 0.112 0.000 1.066 207 N CA 0.462 53.524 53.050 0.020 0.000 0.895 207 N CB 0.406 38.959 38.487 0.110 0.000 0.988 207 N HN 0.133 nan 8.380 nan 0.000 0.457 208 F N -1.291 118.648 119.950 -0.019 0.000 2.643 208 F HA 0.502 5.029 4.527 0.000 0.000 0.314 208 F C -0.841 174.961 175.800 0.002 0.000 1.096 208 F CA -1.517 56.477 58.000 -0.009 0.000 0.953 208 F CB 0.818 39.802 39.000 -0.026 0.000 1.345 208 F HN -0.359 nan 8.300 nan 0.000 0.468 209 D N 0.896 121.432 120.400 0.227 0.000 2.359 209 D HA 0.285 4.925 4.640 0.000 0.000 0.230 209 D C 1.056 177.551 176.300 0.326 0.000 1.118 209 D CA 0.007 54.094 54.000 0.146 0.000 0.844 209 D CB 1.671 42.543 40.800 0.121 0.000 1.059 209 D HN 0.861 nan 8.370 nan 0.000 0.493 210 G N 3.194 112.132 108.800 0.230 0.000 2.471 210 G HA2 -0.175 3.785 3.960 0.000 0.000 0.219 210 G HA3 -0.175 3.785 3.960 0.000 0.000 0.219 210 G C 1.300 176.380 174.900 0.299 0.000 1.125 210 G CA 0.270 45.588 45.100 0.362 0.000 0.775 210 G HN 0.463 nan 8.290 nan 0.000 0.548 211 L N 0.044 121.378 121.223 0.185 0.000 2.095 211 L HA 0.233 4.573 4.340 0.000 0.000 0.204 211 L C 2.691 179.640 176.870 0.132 0.000 1.080 211 L CA 1.127 56.049 54.840 0.135 0.000 0.759 211 L CB -0.843 41.266 42.059 0.083 0.000 0.914 211 L HN 0.176 nan 8.230 nan 0.000 0.439 212 R N -1.015 119.573 120.500 0.147 0.000 2.105 212 R HA -0.248 4.092 4.340 0.000 0.000 0.239 212 R C 2.343 178.730 176.300 0.145 0.000 1.135 212 R CA 1.634 57.810 56.100 0.127 0.000 0.967 212 R CB -0.473 29.907 30.300 0.134 0.000 0.861 212 R HN 0.258 nan 8.270 nan 0.000 0.442 213 F N 0.678 120.675 119.950 0.078 0.000 2.102 213 F HA -0.164 4.364 4.527 0.000 0.000 0.298 213 F C 1.980 177.796 175.800 0.027 0.000 1.105 213 F CA 2.112 60.136 58.000 0.039 0.000 1.239 213 F CB -0.641 38.382 39.000 0.039 0.000 0.991 213 F HN -0.034 nan 8.300 nan 0.000 0.474 214 T N 0.867 115.456 114.554 0.058 0.000 2.684 214 T HA -0.215 4.136 4.350 0.000 0.000 0.267 214 T C 2.234 176.876 174.700 -0.096 0.000 1.036 214 T CA 1.607 63.681 62.100 -0.043 0.000 1.148 214 T CB -1.003 67.913 68.868 0.080 0.000 0.863 214 T HN 0.391 nan 8.240 nan 0.000 0.436 215 A N 1.556 124.353 122.820 -0.037 0.000 1.917 215 A HA -0.005 4.315 4.320 0.000 0.000 0.219 215 A C 2.642 180.177 177.584 -0.082 0.000 1.182 215 A CA 2.135 54.149 52.037 -0.039 0.000 0.633 215 A CB -1.164 17.833 19.000 -0.005 0.000 0.819 215 A HN 0.544 nan 8.150 nan 0.000 0.448 216 A N -0.439 122.305 122.820 -0.126 0.000 1.930 216 A HA 0.015 4.335 4.320 0.000 0.000 0.217 216 A C 2.146 179.609 177.584 -0.202 0.000 1.175 216 A CA 1.374 53.320 52.037 -0.151 0.000 0.627 216 A CB -0.559 18.345 19.000 -0.161 0.000 0.815 216 A HN 0.488 nan 8.150 nan 0.000 0.443 217 L N -0.964 120.073 121.223 -0.309 0.000 2.042 217 L HA -0.175 4.165 4.340 0.000 0.000 0.210 217 L C 2.636 179.423 176.870 -0.138 0.000 1.076 217 L CA 1.082 55.766 54.840 -0.261 0.000 0.749 217 L CB -0.510 41.363 42.059 -0.309 0.000 0.893 217 L HN 0.289 nan 8.230 nan 0.000 0.432 218 R N 0.092 120.527 120.500 -0.107 0.000 2.235 218 R HA -0.032 4.308 4.340 0.000 0.000 0.213 218 R C 1.921 178.193 176.300 -0.047 0.000 1.059 218 R CA 1.166 57.230 56.100 -0.060 0.000 0.997 218 R CB -0.345 29.931 30.300 -0.041 0.000 0.884 218 R HN 0.456 nan 8.270 nan 0.000 0.462 219 S N -0.203 115.463 115.700 -0.057 0.000 2.582 219 S HA 0.204 4.674 4.470 0.000 0.000 0.234 219 S C 0.098 174.674 174.600 -0.040 0.000 0.961 219 S CA -0.432 57.743 58.200 -0.041 0.000 0.953 219 S CB 0.466 63.643 63.200 -0.038 0.000 0.800 219 S HN -0.026 nan 8.310 nan 0.000 0.471 220 E N 1.176 121.348 120.200 -0.047 0.000 2.292 220 E HA 0.204 4.554 4.350 0.000 0.000 0.272 220 E C 0.185 176.766 176.600 -0.032 0.000 0.881 220 E CA -0.334 56.042 56.400 -0.041 0.000 0.754 220 E CB 1.972 31.640 29.700 -0.053 0.000 1.201 220 E HN 0.364 nan 8.360 nan 0.000 0.425 221 E N 2.679 122.867 120.200 -0.021 0.000 2.097 221 E HA -0.235 4.115 4.350 0.000 0.000 0.196 221 E C 1.251 177.845 176.600 -0.010 0.000 1.000 221 E CA 1.368 57.761 56.400 -0.010 0.000 0.804 221 E CB 0.303 30.000 29.700 -0.004 0.000 0.740 221 E HN 0.227 nan 8.360 nan 0.000 0.454 222 R N -0.391 120.097 120.500 -0.019 0.000 2.148 222 R HA -0.059 4.281 4.340 0.000 0.000 0.227 222 R C 2.086 178.374 176.300 -0.020 0.000 1.103 222 R CA 1.712 57.800 56.100 -0.020 0.000 0.983 222 R CB -0.448 29.832 30.300 -0.034 0.000 0.874 222 R HN 0.427 nan 8.270 nan 0.000 0.451 223 T N -3.649 110.885 114.554 -0.033 0.000 3.040 223 T HA 0.206 4.556 4.350 0.000 0.000 0.266 223 T C 1.591 176.268 174.700 -0.037 0.000 1.005 223 T CA -0.390 61.685 62.100 -0.041 0.000 0.906 223 T CB 0.456 69.276 68.868 -0.080 0.000 1.082 223 T HN 0.048 nan 8.240 nan 0.000 0.531 224 R N 1.196 121.681 120.500 -0.026 0.000 2.096 224 R HA -0.023 4.317 4.340 0.000 0.000 0.235 224 R C 1.555 177.851 176.300 -0.005 0.000 1.127 224 R CA 1.276 57.364 56.100 -0.019 0.000 0.968 224 R CB -0.025 30.269 30.300 -0.010 0.000 0.861 224 R HN 0.253 nan 8.270 nan 0.000 0.440 225 Q N 0.213 120.017 119.800 0.007 0.000 2.246 225 Q HA 0.078 4.418 4.340 0.000 0.000 0.202 225 Q C -0.474 175.539 176.000 0.021 0.000 0.883 225 Q CA -0.103 55.712 55.803 0.021 0.000 0.952 225 Q CB 0.472 29.231 28.738 0.035 0.000 1.078 225 Q HN 0.147 nan 8.270 nan 0.000 0.493 226 L N 2.954 124.183 121.223 0.010 0.000 2.319 226 L HA 0.294 4.634 4.340 0.000 0.000 0.280 226 L C -2.388 174.488 176.870 0.009 0.000 1.099 226 L CA -1.805 53.042 54.840 0.011 0.000 0.828 226 L CB 0.600 42.660 42.059 0.003 0.000 1.150 226 L HN -0.135 nan 8.230 nan 0.000 0.442 227 P HA 0.140 nan 4.420 nan 0.000 0.268 227 P C -1.255 176.049 177.300 0.008 0.000 1.204 227 P CA -0.012 63.087 63.100 -0.001 0.000 0.768 227 P CB 0.748 32.436 31.700 -0.021 0.000 0.842 228 V N 4.772 124.695 119.914 0.014 0.000 2.588 228 V HA 0.360 4.480 4.120 0.000 0.000 0.304 228 V C -0.343 175.767 176.094 0.028 0.000 1.042 228 V CA -0.629 61.692 62.300 0.034 0.000 0.877 228 V CB 1.977 33.831 31.823 0.051 0.000 0.996 228 V HN 0.299 nan 8.190 nan 0.000 0.425 229 L N 3.711 124.952 121.223 0.030 0.000 2.346 229 L HA 0.876 5.216 4.340 0.000 0.000 0.276 229 L C 0.229 177.125 176.870 0.043 0.000 1.006 229 L CA -0.368 54.487 54.840 0.025 0.000 0.817 229 L CB 1.671 43.733 42.059 0.005 0.000 1.272 229 L HN 0.818 nan 8.230 nan 0.000 0.421 230 A N 4.932 127.778 122.820 0.043 0.000 2.318 230 A HA 0.793 5.113 4.320 0.000 0.000 0.324 230 A C -0.462 177.142 177.584 0.033 0.000 1.170 230 A CA -0.607 51.460 52.037 0.050 0.000 0.810 230 A CB 0.612 19.646 19.000 0.057 0.000 1.198 230 A HN 0.691 nan 8.150 nan 0.000 0.484 231 M N 2.790 122.407 119.600 0.028 0.000 2.146 231 M HA 0.453 4.933 4.480 0.000 0.000 0.357 231 M C -0.278 176.027 176.300 0.008 0.000 1.261 231 M CA -0.478 54.831 55.300 0.014 0.000 1.106 231 M CB 1.156 33.760 32.600 0.007 0.000 1.612 231 M HN 0.589 nan 8.290 nan 0.000 0.470 232 V N -0.554 119.364 119.914 0.007 0.000 2.876 232 V HA 0.545 4.665 4.120 0.000 0.000 0.312 232 V C -0.827 175.266 176.094 -0.001 0.000 1.085 232 V CA -1.111 61.191 62.300 0.004 0.000 0.945 232 V CB 2.001 33.832 31.823 0.013 0.000 1.017 232 V HN 0.634 nan 8.190 nan 0.000 0.428 233 D N 5.818 126.214 120.400 -0.007 0.000 2.383 233 D HA 0.282 4.923 4.640 0.000 0.000 0.252 233 D C -1.470 174.830 176.300 -0.000 0.000 1.166 233 D CA -1.497 52.499 54.000 -0.007 0.000 0.879 233 D CB 1.995 42.788 40.800 -0.012 0.000 1.164 233 D HN 0.541 nan 8.370 nan 0.000 0.462 234 P HA -0.090 nan 4.420 nan 0.000 0.225 234 P C 0.705 178.008 177.300 0.005 0.000 1.156 234 P CA 0.641 63.744 63.100 0.005 0.000 0.787 234 P CB 0.398 32.100 31.700 0.004 0.000 0.802 235 D N -0.560 119.841 120.400 0.002 0.000 2.269 235 D HA -0.119 4.521 4.640 0.000 0.000 0.208 235 D C 0.317 176.619 176.300 0.004 0.000 0.963 235 D CA 0.653 54.654 54.000 0.002 0.000 0.864 235 D CB -0.799 40.000 40.800 -0.001 0.000 0.936 235 D HN 0.105 nan 8.370 nan 0.000 0.505 236 D N 0.366 120.768 120.400 0.003 0.000 2.456 236 D HA 0.091 4.731 4.640 0.000 0.000 0.219 236 D C 0.995 177.301 176.300 0.010 0.000 1.126 236 D CA -0.474 53.529 54.000 0.005 0.000 0.890 236 D CB 0.763 41.563 40.800 -0.000 0.000 1.025 236 D HN -0.191 nan 8.370 nan 0.000 0.511 237 R N 2.530 123.038 120.500 0.014 0.000 2.066 237 R HA 0.081 4.421 4.340 0.000 0.000 0.224 237 R C 2.069 178.382 176.300 0.021 0.000 1.122 237 R CA 0.930 57.042 56.100 0.020 0.000 0.974 237 R CB -1.168 29.145 30.300 0.022 0.000 0.871 237 R HN 0.479 nan 8.270 nan 0.000 0.435 238 G N 1.741 110.552 108.800 0.017 0.000 2.505 238 G HA2 -0.353 3.607 3.960 0.000 0.000 0.220 238 G HA3 -0.353 3.607 3.960 0.000 0.000 0.220 238 G C 1.748 176.659 174.900 0.018 0.000 1.145 238 G CA 1.204 46.314 45.100 0.017 0.000 0.761 238 G HN 0.244 nan 8.290 nan 0.000 0.571 239 R N 0.097 120.606 120.500 0.016 0.000 2.075 239 R HA 0.142 4.482 4.340 0.000 0.000 0.232 239 R C 2.741 179.055 176.300 0.023 0.000 1.126 239 R CA 1.343 57.453 56.100 0.016 0.000 0.963 239 R CB -0.420 29.885 30.300 0.009 0.000 0.858 239 R HN 0.439 nan 8.270 nan 0.000 0.435 240 M N -0.740 118.875 119.600 0.025 0.000 2.117 240 M HA -0.152 4.328 4.480 0.000 0.000 0.262 240 M C 2.092 178.414 176.300 0.038 0.000 1.065 240 M CA 1.486 56.805 55.300 0.032 0.000 1.114 240 M CB -0.317 32.303 32.600 0.034 0.000 1.361 240 M HN -0.017 nan 8.290 nan 0.000 0.408 241 V N 0.503 120.439 119.914 0.037 0.000 2.295 241 V HA -0.253 3.867 4.120 0.000 0.000 0.246 241 V C 2.564 178.678 176.094 0.033 0.000 1.049 241 V CA 1.605 63.928 62.300 0.038 0.000 1.024 241 V CB -0.743 31.100 31.823 0.033 0.000 0.648 241 V HN 0.387 nan 8.190 nan 0.000 0.447 242 K N 0.243 120.660 120.400 0.029 0.000 2.020 242 K HA -0.205 4.115 4.320 0.000 0.000 0.212 242 K C 2.344 178.964 176.600 0.033 0.000 1.050 242 K CA 1.834 58.138 56.287 0.028 0.000 0.929 242 K CB -0.838 31.677 32.500 0.026 0.000 0.714 242 K HN 0.464 nan 8.250 nan 0.000 0.443 243 A N 1.470 124.312 122.820 0.037 0.000 1.917 243 A HA -0.191 4.129 4.320 0.000 0.000 0.219 243 A C 2.362 179.971 177.584 0.042 0.000 1.182 243 A CA 1.654 53.717 52.037 0.043 0.000 0.633 243 A CB -0.743 18.284 19.000 0.044 0.000 0.819 243 A HN 0.273 nan 8.150 nan 0.000 0.448 244 L N -1.025 120.223 121.223 0.042 0.000 2.093 244 L HA -0.190 4.150 4.340 0.000 0.000 0.208 244 L C 2.564 179.457 176.870 0.038 0.000 1.085 244 L CA 1.562 56.429 54.840 0.045 0.000 0.755 244 L CB -0.599 41.493 42.059 0.054 0.000 0.904 244 L HN 0.480 nan 8.230 nan 0.000 0.435 245 E N 0.091 120.310 120.200 0.032 0.000 2.106 245 E HA -0.200 4.150 4.350 0.000 0.000 0.192 245 E C 2.016 178.630 176.600 0.023 0.000 0.984 245 E CA 0.943 57.358 56.400 0.025 0.000 0.806 245 E CB 0.001 29.713 29.700 0.021 0.000 0.750 245 E HN 0.333 nan 8.360 nan 0.000 0.458 246 I N -0.555 120.031 120.570 0.025 0.000 3.001 246 I HA -0.021 4.149 4.170 0.000 0.000 0.268 246 I C 1.480 177.609 176.117 0.019 0.000 1.267 246 I CA 1.027 62.340 61.300 0.022 0.000 1.472 246 I CB 0.247 38.264 38.000 0.028 0.000 1.089 246 I HN 0.261 nan 8.210 nan 0.000 0.468 247 G N -0.626 108.188 108.800 0.024 0.000 2.183 247 G HA2 -0.176 3.784 3.960 0.000 0.000 0.168 247 G HA3 -0.176 3.784 3.960 0.000 0.000 0.168 247 G C 0.307 175.223 174.900 0.027 0.000 1.008 247 G CA -0.126 44.988 45.100 0.022 0.000 0.677 247 G HN 0.056 nan 8.290 nan 0.000 0.498 248 V N 2.047 121.982 119.914 0.035 0.000 2.557 248 V HA 0.047 4.167 4.120 0.000 0.000 0.301 248 V C 1.709 177.824 176.094 0.035 0.000 1.026 248 V CA 0.741 63.064 62.300 0.039 0.000 1.137 248 V CB 0.982 32.833 31.823 0.047 0.000 0.917 248 V HN 0.442 nan 8.190 nan 0.000 0.484 249 N N 2.885 121.602 118.700 0.028 0.000 2.216 249 N HA -0.037 4.703 4.740 0.000 0.000 0.183 249 N C 0.340 175.865 175.510 0.025 0.000 1.017 249 N CA 0.990 54.053 53.050 0.023 0.000 0.861 249 N CB 0.263 38.754 38.487 0.007 0.000 0.986 249 N HN 0.756 nan 8.380 nan 0.000 0.428 250 D N -0.989 119.424 120.400 0.022 0.000 2.671 250 D HA 0.367 5.007 4.640 0.000 0.000 0.273 250 D C -1.380 174.936 176.300 0.026 0.000 1.264 250 D CA -0.581 53.434 54.000 0.024 0.000 0.788 250 D CB 1.727 42.534 40.800 0.011 0.000 1.324 250 D HN -0.034 nan 8.370 nan 0.000 0.424 251 I N -1.612 118.975 120.570 0.029 0.000 2.892 251 I HA 0.684 4.854 4.170 0.000 0.000 0.306 251 I C -1.160 174.972 176.117 0.026 0.000 1.078 251 I CA -0.968 60.350 61.300 0.029 0.000 1.032 251 I CB 2.337 40.357 38.000 0.034 0.000 1.229 251 I HN 0.195 nan 8.210 nan 0.000 0.435 252 L N 2.987 124.224 121.223 0.023 0.000 2.376 252 L HA 0.391 4.731 4.340 0.000 0.000 0.275 252 L C 0.066 176.945 176.870 0.016 0.000 0.987 252 L CA -0.431 54.421 54.840 0.021 0.000 0.828 252 L CB 1.999 44.068 42.059 0.016 0.000 1.249 252 L HN 0.755 nan 8.230 nan 0.000 0.409 253 S N 3.353 119.062 115.700 0.016 0.000 2.549 253 S HA 0.363 4.833 4.470 0.000 0.000 0.279 253 S C 0.022 174.624 174.600 0.004 0.000 1.321 253 S CA -0.421 57.785 58.200 0.010 0.000 1.054 253 S CB 0.285 63.491 63.200 0.010 0.000 0.899 253 S HN 0.456 nan 8.310 nan 0.000 0.497 254 R N 3.820 124.320 120.500 -0.000 0.000 2.486 254 R HA 0.443 4.783 4.340 0.000 0.000 0.286 254 R C -2.252 174.044 176.300 -0.007 0.000 0.999 254 R CA -1.840 54.257 56.100 -0.005 0.000 0.993 254 R CB 0.170 30.465 30.300 -0.009 0.000 1.084 254 R HN 0.511 nan 8.270 nan 0.000 0.487 255 P HA 0.112 nan 4.420 nan 0.000 0.272 255 P C -0.325 176.970 177.300 -0.008 0.000 1.223 255 P CA -0.153 62.941 63.100 -0.009 0.000 0.784 255 P CB 0.581 32.275 31.700 -0.011 0.000 0.923 256 I N 1.554 122.120 120.570 -0.006 0.000 2.471 256 I HA 0.047 4.217 4.170 0.000 0.000 0.286 256 I C 0.891 177.004 176.117 -0.007 0.000 1.079 256 I CA 0.174 61.472 61.300 -0.003 0.000 1.398 256 I CB 0.025 38.025 38.000 -0.001 0.000 1.403 256 I HN 0.340 nan 8.210 nan 0.000 0.530 257 D N 8.118 128.513 120.400 -0.007 0.000 2.280 257 D HA 0.246 4.886 4.640 0.000 0.000 0.243 257 D C -1.719 174.576 176.300 -0.008 0.000 1.129 257 D CA -1.767 52.222 54.000 -0.018 0.000 0.848 257 D CB 1.502 42.283 40.800 -0.033 0.000 1.107 257 D HN 0.187 nan 8.370 nan 0.000 0.471 258 P HA -0.179 nan 4.420 nan 0.000 0.216 258 P C 0.800 178.111 177.300 0.019 0.000 1.150 258 P CA 1.245 64.348 63.100 0.005 0.000 0.843 258 P CB 0.277 31.976 31.700 -0.002 0.000 0.787 259 Q N -0.729 119.070 119.800 -0.003 0.000 2.163 259 Q HA -0.068 4.272 4.340 0.000 0.000 0.198 259 Q C 2.124 178.197 176.000 0.123 0.000 0.954 259 Q CA 1.136 56.956 55.803 0.028 0.000 0.851 259 Q CB -0.588 28.093 28.738 -0.095 0.000 0.928 259 Q HN 0.368 nan 8.270 nan 0.000 0.459 260 E N 0.175 120.421 120.200 0.077 0.000 2.077 260 E HA -0.204 4.146 4.350 0.000 0.000 0.193 260 E C 1.838 178.503 176.600 0.109 0.000 0.989 260 E CA 1.003 57.498 56.400 0.158 0.000 0.800 260 E CB -0.172 29.582 29.700 0.091 0.000 0.746 260 E HN 0.188 nan 8.360 nan 0.000 0.452 261 L N 1.012 122.272 121.223 0.062 0.000 2.017 261 L HA -0.178 4.162 4.340 0.000 0.000 0.208 261 L C 2.432 179.328 176.870 0.044 0.000 1.073 261 L CA 2.129 56.992 54.840 0.037 0.000 0.745 261 L CB -0.792 41.280 42.059 0.022 0.000 0.894 261 L HN -0.019 nan 8.230 nan 0.000 0.432 262 S N -0.942 114.802 115.700 0.073 0.000 2.399 262 S HA -0.113 4.357 4.470 0.000 0.000 0.231 262 S C 2.065 176.721 174.600 0.093 0.000 1.022 262 S CA 1.133 59.391 58.200 0.096 0.000 0.983 262 S CB -0.419 62.846 63.200 0.108 0.000 0.803 262 S HN 0.662 nan 8.310 nan 0.000 0.480 263 A N 2.287 125.171 122.820 0.107 0.000 1.872 263 A HA 0.050 4.370 4.320 0.000 0.000 0.214 263 A C 2.307 179.896 177.584 0.008 0.000 1.187 263 A CA 0.881 52.961 52.037 0.072 0.000 0.614 263 A CB -0.493 18.576 19.000 0.114 0.000 0.826 263 A HN 0.553 nan 8.150 nan 0.000 0.442 264 R N -0.328 120.179 120.500 0.011 0.000 2.092 264 R HA -0.047 4.293 4.340 0.000 0.000 0.231 264 R C 2.026 178.287 176.300 -0.066 0.000 1.119 264 R CA 1.345 57.426 56.100 -0.031 0.000 0.970 264 R CB -0.911 29.382 30.300 -0.013 0.000 0.864 264 R HN 0.402 nan 8.270 nan 0.000 0.440 265 V N 1.863 121.744 119.914 -0.056 0.000 2.343 265 V HA -0.235 3.885 4.120 0.000 0.000 0.247 265 V C 2.456 178.500 176.094 -0.084 0.000 1.051 265 V CA 1.642 63.879 62.300 -0.105 0.000 1.036 265 V CB -0.434 31.282 31.823 -0.178 0.000 0.654 265 V HN 0.287 nan 8.190 nan 0.000 0.451 266 K N -0.350 120.037 120.400 -0.021 0.000 2.032 266 K HA -0.194 4.126 4.320 0.000 0.000 0.209 266 K C 2.267 178.768 176.600 -0.167 0.000 1.048 266 K CA 2.039 58.312 56.287 -0.022 0.000 0.927 266 K CB -0.465 32.042 32.500 0.011 0.000 0.712 266 K HN 0.494 nan 8.250 nan 0.000 0.441 267 T N 1.392 115.810 114.554 -0.226 0.000 2.622 267 T HA -0.172 4.178 4.350 0.000 0.000 0.266 267 T C 1.870 176.231 174.700 -0.565 0.000 1.047 267 T CA 1.255 63.069 62.100 -0.476 0.000 1.159 267 T CB -0.141 68.537 68.868 -0.316 0.000 0.863 267 T HN 0.205 nan 8.240 nan 0.000 0.422 268 Q N 0.457 120.071 119.800 -0.310 0.000 2.050 268 Q HA 0.065 4.405 4.340 0.000 0.000 0.202 268 Q C 2.494 178.372 176.000 -0.204 0.000 0.980 268 Q CA 1.245 56.907 55.803 -0.236 0.000 0.840 268 Q CB -0.693 27.966 28.738 -0.132 0.000 0.898 268 Q HN 0.543 nan 8.270 nan 0.000 0.424 269 I N 0.622 121.101 120.570 -0.152 0.000 2.286 269 I HA -0.297 3.873 4.170 0.000 0.000 0.248 269 I C 2.664 178.723 176.117 -0.096 0.000 1.115 269 I CA 1.145 62.399 61.300 -0.077 0.000 1.392 269 I CB -0.187 37.809 38.000 -0.006 0.000 1.065 269 I HN 0.286 nan 8.210 nan 0.000 0.418 270 Q N 0.869 120.544 119.800 -0.209 0.000 2.079 270 Q HA -0.236 4.104 4.340 0.000 0.000 0.200 270 Q C 2.388 178.198 176.000 -0.316 0.000 0.974 270 Q CA 1.375 57.026 55.803 -0.252 0.000 0.840 270 Q CB -0.021 28.525 28.738 -0.320 0.000 0.898 270 Q HN 0.313 nan 8.270 nan 0.000 0.430 271 R N 0.444 120.648 120.500 -0.492 0.000 2.081 271 R HA -0.160 4.180 4.340 0.000 0.000 0.235 271 R C 2.280 178.601 176.300 0.034 0.000 1.131 271 R CA 1.578 57.563 56.100 -0.192 0.000 0.960 271 R CB -0.105 30.027 30.300 -0.280 0.000 0.856 271 R HN 0.072 nan 8.270 nan 0.000 0.436 272 K N 0.477 120.872 120.400 -0.009 0.000 2.057 272 K HA -0.164 4.156 4.320 0.000 0.000 0.207 272 K C 2.090 178.768 176.600 0.130 0.000 1.049 272 K CA 1.443 57.766 56.287 0.060 0.000 0.931 272 K CB 0.008 32.527 32.500 0.033 0.000 0.714 272 K HN 0.203 nan 8.250 nan 0.000 0.440 273 R N -0.821 119.767 120.500 0.148 0.000 2.090 273 R HA -0.107 4.233 4.340 0.000 0.000 0.228 273 R C 2.359 178.864 176.300 0.341 0.000 1.110 273 R CA 1.237 57.468 56.100 0.218 0.000 0.973 273 R CB -0.332 30.089 30.300 0.202 0.000 0.869 273 R HN 0.209 nan 8.270 nan 0.000 0.440 274 Y N 1.076 121.456 120.300 0.134 0.000 2.128 274 Y HA -0.215 4.335 4.550 0.000 0.000 0.284 274 Y C 2.593 178.595 175.900 0.171 0.000 1.154 274 Y CA 1.307 59.497 58.100 0.150 0.000 1.149 274 Y CB -0.907 37.668 38.460 0.193 0.000 0.976 274 Y HN 0.026 nan 8.280 nan 0.000 0.505 275 T N -0.228 114.519 114.554 0.320 0.000 2.708 275 T HA -0.161 4.189 4.350 0.000 0.000 0.266 275 T C 1.404 176.202 174.700 0.164 0.000 1.037 275 T CA 1.677 63.902 62.100 0.208 0.000 1.146 275 T CB -0.346 68.619 68.868 0.162 0.000 0.865 275 T HN 0.262 nan 8.240 nan 0.000 0.435 276 D N 0.032 120.531 120.400 0.166 0.000 2.144 276 D HA -0.056 4.584 4.640 0.000 0.000 0.200 276 D C 1.677 178.044 176.300 0.112 0.000 0.978 276 D CA 0.799 54.871 54.000 0.120 0.000 0.833 276 D CB -0.474 40.397 40.800 0.117 0.000 0.961 276 D HN 0.447 nan 8.370 nan 0.000 0.470 277 Y N 1.217 121.540 120.300 0.039 0.000 2.224 277 Y HA -0.147 4.403 4.550 0.000 0.000 0.289 277 Y C 2.085 177.976 175.900 -0.016 0.000 1.146 277 Y CA 1.251 59.350 58.100 -0.001 0.000 1.182 277 Y CB -0.187 38.264 38.460 -0.014 0.000 0.983 277 Y HN -0.081 nan 8.280 nan 0.000 0.524 278 L N -0.570 120.727 121.223 0.124 0.000 2.072 278 L HA -0.163 4.177 4.340 0.000 0.000 0.205 278 L C 2.590 179.437 176.870 -0.039 0.000 1.079 278 L CA 1.204 56.065 54.840 0.036 0.000 0.752 278 L CB -0.462 41.656 42.059 0.098 0.000 0.906 278 L HN 0.072 nan 8.230 nan 0.000 0.436 279 R N -0.007 120.486 120.500 -0.012 0.000 2.091 279 R HA -0.097 4.243 4.340 0.000 0.000 0.238 279 R C 0.648 176.901 176.300 -0.080 0.000 1.136 279 R CA 0.894 56.978 56.100 -0.027 0.000 0.959 279 R CB -0.287 30.016 30.300 0.005 0.000 0.856 279 R HN 0.426 nan 8.270 nan 0.000 0.437 280 N N -0.005 118.619 118.700 -0.127 0.000 2.366 280 N HA -0.009 4.731 4.740 0.000 0.000 0.277 280 N C 0.482 175.815 175.510 -0.295 0.000 1.275 280 N CA -0.195 52.744 53.050 -0.186 0.000 0.964 280 N CB 0.297 38.673 38.487 -0.185 0.000 1.167 280 N HN -0.009 nan 8.380 nan 0.000 0.568 281 N N -1.379 117.136 118.700 -0.309 0.000 2.885 281 N HA -0.235 4.505 4.740 0.000 0.000 0.215 281 N C -0.527 174.820 175.510 -0.272 0.000 0.893 281 N CA 1.005 53.849 53.050 -0.343 0.000 1.147 281 N CB -1.087 37.062 38.487 -0.564 0.000 0.967 281 N HN 0.597 nan 8.380 nan 0.000 0.601 282 L N 1.753 122.815 121.223 -0.268 0.000 2.315 282 L HA 0.288 4.628 4.340 0.000 0.000 0.278 282 L C -0.246 176.497 176.870 -0.213 0.000 1.088 282 L CA -0.091 54.626 54.840 -0.206 0.000 0.899 282 L CB 0.074 42.043 42.059 -0.151 0.000 1.277 282 L HN 0.271 nan 8.230 nan 0.000 0.431 283 D N 1.229 121.452 120.400 -0.295 0.000 3.641 283 D HA -0.200 4.440 4.640 0.000 0.000 0.235 283 D C -0.618 175.326 176.300 -0.594 0.000 1.648 283 D CA 0.662 54.448 54.000 -0.356 0.000 1.149 283 D CB -0.244 40.476 40.800 -0.134 0.000 0.742 283 D HN 0.571 nan 8.370 nan 0.000 0.920 284 H N -0.873 118.184 119.070 -0.022 0.000 2.977 284 H HA 0.756 5.313 4.556 0.000 0.000 0.350 284 H C -0.297 175.024 175.328 -0.011 0.000 1.238 284 H CA 0.236 56.274 56.048 -0.017 0.000 1.124 284 H CB 1.919 31.674 29.762 -0.011 0.000 1.866 284 H HN 0.654 nan 8.280 nan 0.000 0.550 285 S N -0.316 115.467 115.700 0.139 0.000 2.727 285 S HA 0.168 4.638 4.470 0.000 0.000 0.275 285 S C -0.232 174.399 174.600 0.052 0.000 0.995 285 S CA -0.769 57.473 58.200 0.071 0.000 0.893 285 S CB 0.428 63.654 63.200 0.045 0.000 1.135 285 S HN 0.371 nan 8.310 nan 0.000 0.460 286 L N 1.197 122.441 121.223 0.035 0.000 1.861 286 L HA 0.182 4.522 4.340 0.000 0.000 0.236 286 L C 2.518 179.406 176.870 0.031 0.000 1.072 286 L CA 1.053 55.909 54.840 0.027 0.000 1.324 286 L CB -0.761 41.309 42.059 0.019 0.000 1.126 286 L HN 0.902 nan 8.230 nan 0.000 0.635 287 E N -0.100 120.116 120.200 0.028 0.000 2.409 287 E HA -0.115 4.235 4.350 0.000 0.000 0.198 287 E C 2.133 178.757 176.600 0.040 0.000 1.024 287 E CA 0.477 56.896 56.400 0.031 0.000 0.861 287 E CB -0.152 29.562 29.700 0.024 0.000 0.788 287 E HN 0.385 nan 8.360 nan 0.000 0.521 288 L N 0.948 122.194 121.223 0.037 0.000 1.973 288 L HA -0.042 4.299 4.340 0.000 0.000 0.208 288 L C 1.390 178.287 176.870 0.046 0.000 1.073 288 L CA 0.286 55.148 54.840 0.038 0.000 0.746 288 L CB -0.633 41.444 42.059 0.029 0.000 0.891 288 L HN 0.027 nan 8.230 nan 0.000 0.433 289 A N 0.290 123.136 122.820 0.043 0.000 2.566 289 A HA 0.196 4.516 4.320 0.000 0.000 0.245 289 A C 0.800 178.416 177.584 0.053 0.000 1.056 289 A CA 0.531 52.591 52.037 0.037 0.000 0.757 289 A CB 0.159 19.186 19.000 0.045 0.000 0.979 289 A HN 0.343 nan 8.150 nan 0.000 0.508 290 V N 0.590 120.520 119.914 0.027 0.000 3.477 290 V HA 0.288 4.408 4.120 0.000 0.000 0.297 290 V C 0.545 176.629 176.094 -0.016 0.000 1.433 290 V CA 0.851 63.168 62.300 0.027 0.000 1.052 290 V CB -0.739 31.047 31.823 -0.061 0.000 0.895 290 V HN 1.039 nan 8.190 nan 0.000 0.438 291 T N -1.836 112.704 114.554 -0.024 0.000 2.887 291 T HA 0.589 4.939 4.350 0.000 0.000 0.288 291 T C -0.877 173.824 174.700 0.001 0.000 1.021 291 T CA -0.293 61.783 62.100 -0.039 0.000 1.000 291 T CB 2.172 70.979 68.868 -0.102 0.000 1.034 291 T HN 0.210 nan 8.240 nan 0.000 0.467 292 D N 0.941 121.345 120.400 0.007 0.000 2.390 292 D HA 0.147 4.787 4.640 0.000 0.000 0.249 292 D C 1.271 177.593 176.300 0.036 0.000 1.144 292 D CA 0.036 54.051 54.000 0.025 0.000 0.880 292 D CB 1.084 41.898 40.800 0.023 0.000 1.182 292 D HN 0.580 nan 8.370 nan 0.000 0.451 293 Q N 2.073 121.913 119.800 0.067 0.000 2.046 293 Q HA -0.125 4.215 4.340 0.000 0.000 0.200 293 Q C 1.695 177.747 176.000 0.087 0.000 0.975 293 Q CA 0.831 56.697 55.803 0.106 0.000 0.836 293 Q CB -0.005 28.841 28.738 0.180 0.000 0.896 293 Q HN 0.558 nan 8.270 nan 0.000 0.428 294 L N 0.157 121.429 121.223 0.081 0.000 2.056 294 L HA -0.142 4.198 4.340 0.000 0.000 0.207 294 L C 2.340 179.271 176.870 0.102 0.000 1.078 294 L CA 2.188 57.084 54.840 0.094 0.000 0.749 294 L CB -0.406 41.714 42.059 0.102 0.000 0.901 294 L HN 0.328 nan 8.230 nan 0.000 0.433 295 T N -5.292 109.324 114.554 0.104 0.000 3.015 295 T HA 0.301 4.651 4.350 0.000 0.000 0.250 295 T C 1.514 176.255 174.700 0.069 0.000 1.057 295 T CA 0.372 62.547 62.100 0.124 0.000 1.066 295 T CB 0.122 69.117 68.868 0.211 0.000 0.959 295 T HN 0.473 nan 8.240 nan 0.000 0.488 296 G N 1.609 110.428 108.800 0.031 0.000 2.162 296 G HA2 -0.229 3.731 3.960 0.000 0.000 0.260 296 G HA3 -0.229 3.731 3.960 0.000 0.000 0.260 296 G C 0.068 174.920 174.900 -0.080 0.000 0.976 296 G CA 0.472 45.557 45.100 -0.024 0.000 0.655 296 G HN 0.629 nan 8.290 nan 0.000 0.533 297 L N 0.185 121.385 121.223 -0.038 0.000 2.505 297 L HA 0.449 4.790 4.340 0.000 0.000 0.226 297 L C 1.354 178.135 176.870 -0.149 0.000 1.211 297 L CA -1.215 53.569 54.840 -0.093 0.000 0.828 297 L CB 0.168 42.278 42.059 0.086 0.000 1.331 297 L HN 0.125 nan 8.230 nan 0.000 0.513 298 H N 0.286 119.384 119.070 0.047 0.000 2.615 298 H HA 0.126 4.682 4.556 0.000 0.000 0.363 298 H C -0.418 174.956 175.328 0.077 0.000 1.148 298 H CA -0.307 55.755 56.048 0.023 0.000 1.401 298 H CB 0.434 30.259 29.762 0.105 0.000 1.461 298 H HN 0.461 nan 8.280 nan 0.000 0.588 299 N N 0.301 119.129 118.700 0.215 0.000 2.340 299 N HA -0.057 4.683 4.740 0.000 0.000 0.236 299 N C 1.606 177.239 175.510 0.205 0.000 1.296 299 N CA -0.054 53.097 53.050 0.168 0.000 0.896 299 N CB 1.195 39.778 38.487 0.160 0.000 1.127 299 N HN 0.519 nan 8.380 nan 0.000 0.442 300 R N 1.090 121.670 120.500 0.134 0.000 2.062 300 R HA -0.066 4.274 4.340 0.000 0.000 0.229 300 R C 2.072 178.453 176.300 0.135 0.000 1.128 300 R CA 1.090 57.280 56.100 0.151 0.000 0.960 300 R CB -0.043 30.287 30.300 0.050 0.000 0.855 300 R HN 0.538 nan 8.270 nan 0.000 0.432 301 R N -0.462 120.101 120.500 0.104 0.000 2.112 301 R HA -0.268 4.072 4.340 0.000 0.000 0.242 301 R C 2.174 178.537 176.300 0.105 0.000 1.137 301 R CA 2.264 58.417 56.100 0.088 0.000 0.944 301 R CB -0.716 29.633 30.300 0.081 0.000 0.857 301 R HN 0.376 nan 8.270 nan 0.000 0.435 302 Y N 0.732 121.056 120.300 0.041 0.000 2.165 302 Y HA -0.273 4.277 4.550 0.000 0.000 0.286 302 Y C 2.439 178.337 175.900 -0.003 0.000 1.155 302 Y CA 2.206 60.320 58.100 0.022 0.000 1.164 302 Y CB -0.213 38.273 38.460 0.043 0.000 0.978 302 Y HN 0.122 nan 8.280 nan 0.000 0.513 303 M N 0.031 119.686 119.600 0.093 0.000 2.086 303 M HA -0.178 4.302 4.480 0.000 0.000 0.261 303 M C 1.972 178.234 176.300 -0.063 0.000 1.067 303 M CA 2.536 57.843 55.300 0.011 0.000 1.116 303 M CB -0.949 31.736 32.600 0.142 0.000 1.348 303 M HN 0.476 nan 8.290 nan 0.000 0.407 304 T N -1.530 113.021 114.554 -0.006 0.000 2.833 304 T HA -0.031 4.319 4.350 0.000 0.000 0.269 304 T C 1.955 176.615 174.700 -0.067 0.000 1.054 304 T CA 1.290 63.384 62.100 -0.011 0.000 1.135 304 T CB -1.433 67.456 68.868 0.035 0.000 0.869 304 T HN 0.520 nan 8.240 nan 0.000 0.466 305 G N 1.520 110.249 108.800 -0.118 0.000 2.480 305 G HA2 -0.242 3.718 3.960 0.000 0.000 0.216 305 G HA3 -0.242 3.718 3.960 0.000 0.000 0.216 305 G C 1.710 176.498 174.900 -0.186 0.000 1.200 305 G CA 0.645 45.653 45.100 -0.154 0.000 0.782 305 G HN 0.386 nan 8.290 nan 0.000 0.554 306 Q N -0.013 119.612 119.800 -0.292 0.000 2.124 306 Q HA 0.040 4.381 4.340 0.000 0.000 0.202 306 Q C 2.619 178.538 176.000 -0.135 0.000 0.977 306 Q CA 0.608 56.262 55.803 -0.248 0.000 0.850 306 Q CB -0.568 27.970 28.738 -0.334 0.000 0.901 306 Q HN 0.510 nan 8.270 nan 0.000 0.429 307 L N 0.639 121.797 121.223 -0.107 0.000 2.056 307 L HA -0.218 4.122 4.340 0.000 0.000 0.207 307 L C 1.936 178.776 176.870 -0.050 0.000 1.078 307 L CA 1.434 56.236 54.840 -0.063 0.000 0.749 307 L CB -0.229 41.804 42.059 -0.044 0.000 0.901 307 L HN 0.179 nan 8.230 nan 0.000 0.433 308 D N -0.786 119.583 120.400 -0.053 0.000 2.104 308 D HA -0.203 4.437 4.640 0.000 0.000 0.194 308 D C 2.242 178.519 176.300 -0.039 0.000 0.994 308 D CA 1.683 55.659 54.000 -0.040 0.000 0.830 308 D CB 0.168 40.943 40.800 -0.041 0.000 0.959 308 D HN 0.145 nan 8.370 nan 0.000 0.452 309 S N -0.813 114.857 115.700 -0.050 0.000 2.368 309 S HA -0.069 4.401 4.470 0.000 0.000 0.225 309 S C 2.066 176.646 174.600 -0.033 0.000 1.030 309 S CA 0.502 58.677 58.200 -0.041 0.000 0.999 309 S CB -0.252 62.918 63.200 -0.050 0.000 0.844 309 S HN 0.273 nan 8.310 nan 0.000 0.459 310 L N 0.845 122.045 121.223 -0.038 0.000 2.012 310 L HA -0.110 4.230 4.340 0.000 0.000 0.210 310 L C 2.304 179.161 176.870 -0.022 0.000 1.073 310 L CA 1.018 55.841 54.840 -0.028 0.000 0.748 310 L CB -0.572 41.468 42.059 -0.031 0.000 0.891 310 L HN 0.210 nan 8.230 nan 0.000 0.431 311 V N -0.385 119.515 119.914 -0.022 0.000 2.379 311 V HA -0.270 3.850 4.120 0.000 0.000 0.245 311 V C 2.500 178.586 176.094 -0.013 0.000 1.044 311 V CA 1.598 63.888 62.300 -0.016 0.000 1.036 311 V CB -0.486 31.328 31.823 -0.015 0.000 0.664 311 V HN 0.409 nan 8.190 nan 0.000 0.453 312 K N 0.254 120.645 120.400 -0.015 0.000 2.044 312 K HA -0.305 4.015 4.320 0.000 0.000 0.210 312 K C 2.379 178.973 176.600 -0.010 0.000 1.049 312 K CA 2.106 58.386 56.287 -0.012 0.000 0.927 312 K CB -0.148 32.343 32.500 -0.014 0.000 0.713 312 K HN 0.209 nan 8.250 nan 0.000 0.443 313 R N 0.581 121.073 120.500 -0.012 0.000 2.081 313 R HA -0.058 4.282 4.340 0.000 0.000 0.235 313 R C 1.885 178.180 176.300 -0.009 0.000 1.131 313 R CA 1.868 57.962 56.100 -0.011 0.000 0.960 313 R CB -0.794 29.499 30.300 -0.011 0.000 0.856 313 R HN 0.302 nan 8.270 nan 0.000 0.436 314 A N -0.635 122.179 122.820 -0.010 0.000 1.969 314 A HA -0.115 4.205 4.320 0.000 0.000 0.218 314 A C 2.045 179.626 177.584 -0.005 0.000 1.169 314 A CA 1.848 53.880 52.037 -0.008 0.000 0.635 314 A CB -0.998 17.996 19.000 -0.009 0.000 0.810 314 A HN 0.616 nan 8.150 nan 0.000 0.445 315 T N -1.866 112.686 114.554 -0.004 0.000 3.035 315 T HA 0.117 4.467 4.350 0.000 0.000 0.268 315 T C 1.088 175.787 174.700 -0.000 0.000 1.109 315 T CA 0.817 62.917 62.100 0.000 0.000 1.119 315 T CB -0.396 68.473 68.868 0.001 0.000 0.900 315 T HN 0.298 nan 8.240 nan 0.000 0.503 316 L N 1.513 122.734 121.223 -0.004 0.000 2.737 316 L HA 0.487 4.827 4.340 0.000 0.000 0.236 316 L C 1.342 178.209 176.870 -0.005 0.000 1.219 316 L CA -0.232 54.606 54.840 -0.004 0.000 1.021 316 L CB -1.129 40.926 42.059 -0.007 0.000 1.291 316 L HN 0.604 nan 8.230 nan 0.000 0.470 317 G N -0.543 108.254 108.800 -0.004 0.000 2.728 317 G HA2 0.214 4.174 3.960 0.000 0.000 0.294 317 G HA3 0.214 4.174 3.960 0.000 0.000 0.294 317 G C 0.082 174.978 174.900 -0.007 0.000 1.342 317 G CA -0.468 44.630 45.100 -0.004 0.000 0.866 317 G HN 0.803 nan 8.290 nan 0.000 0.534 318 G N -1.037 107.759 108.800 -0.007 0.000 2.782 318 G HA2 0.231 4.191 3.960 0.000 0.000 0.228 318 G HA3 0.231 4.191 3.960 0.000 0.000 0.228 318 G C -0.247 174.649 174.900 -0.007 0.000 1.372 318 G CA 0.489 45.584 45.100 -0.008 0.000 0.862 318 G HN 1.441 nan 8.290 nan 0.000 0.547 319 D N 1.854 122.249 120.400 -0.007 0.000 2.399 319 D HA 0.402 5.042 4.640 0.000 0.000 0.241 319 D C -1.387 174.909 176.300 -0.008 0.000 1.133 319 D CA 0.087 54.083 54.000 -0.007 0.000 0.890 319 D CB 0.980 41.778 40.800 -0.005 0.000 1.201 319 D HN 0.357 nan 8.370 nan 0.000 0.432 320 P HA 0.171 nan 4.420 nan 0.000 0.278 320 P C -0.653 176.640 177.300 -0.011 0.000 1.258 320 P CA -0.495 62.598 63.100 -0.012 0.000 0.811 320 P CB 0.976 32.667 31.700 -0.015 0.000 1.063 321 V N 0.662 120.568 119.914 -0.013 0.000 2.513 321 V HA 0.379 4.499 4.120 0.000 0.000 0.299 321 V C 0.403 176.488 176.094 -0.015 0.000 1.035 321 V CA -0.320 61.972 62.300 -0.013 0.000 0.889 321 V CB 1.451 33.265 31.823 -0.015 0.000 0.988 321 V HN 0.538 nan 8.190 nan 0.000 0.440 322 S N 2.414 118.107 115.700 -0.011 0.000 2.537 322 S HA 0.871 5.341 4.470 0.000 0.000 0.301 322 S C -0.156 174.437 174.600 -0.012 0.000 1.092 322 S CA -0.458 57.735 58.200 -0.012 0.000 1.048 322 S CB 1.796 64.992 63.200 -0.007 0.000 1.053 322 S HN 1.113 nan 8.310 nan 0.000 0.501 323 A N 2.336 125.146 122.820 -0.016 0.000 2.359 323 A HA 0.730 5.050 4.320 0.000 0.000 0.303 323 A C -1.494 176.082 177.584 -0.015 0.000 1.066 323 A CA -0.529 51.494 52.037 -0.023 0.000 0.730 323 A CB 0.497 19.470 19.000 -0.044 0.000 1.211 323 A HN 0.547 nan 8.150 nan 0.000 0.439 324 L N 1.989 123.211 121.223 -0.001 0.000 2.309 324 L HA 0.600 4.940 4.340 0.000 0.000 0.282 324 L C -0.486 176.390 176.870 0.010 0.000 1.036 324 L CA -0.484 54.366 54.840 0.016 0.000 0.806 324 L CB 1.378 43.462 42.059 0.042 0.000 1.220 324 L HN 0.667 nan 8.230 nan 0.000 0.429 325 L N 5.104 126.335 121.223 0.014 0.000 2.319 325 L HA 0.592 4.932 4.340 0.000 0.000 0.281 325 L C -0.841 176.071 176.870 0.071 0.000 1.005 325 L CA -0.099 54.751 54.840 0.018 0.000 0.828 325 L CB 0.840 42.887 42.059 -0.021 0.000 1.227 325 L HN 0.280 nan 8.230 nan 0.000 0.415 326 I N 3.278 123.931 120.570 0.138 0.000 2.437 326 I HA 0.437 4.607 4.170 0.000 0.000 0.298 326 I C -0.652 175.521 176.117 0.093 0.000 0.984 326 I CA -0.437 60.944 61.300 0.136 0.000 1.214 326 I CB 1.516 39.665 38.000 0.248 0.000 1.365 326 I HN 0.554 nan 8.210 nan 0.000 0.469 327 D N 5.085 125.480 120.400 -0.008 0.000 2.686 327 D HA 0.451 5.091 4.640 0.000 0.000 0.249 327 D C -0.426 175.785 176.300 -0.148 0.000 1.260 327 D CA -0.296 53.673 54.000 -0.051 0.000 0.910 327 D CB 1.483 42.266 40.800 -0.028 0.000 1.323 327 D HN 0.292 nan 8.370 nan 0.000 0.561 328 I N 3.100 123.530 120.570 -0.234 0.000 2.505 328 I HA 0.058 4.228 4.170 0.000 0.000 0.287 328 I C 0.268 176.335 176.117 -0.084 0.000 1.104 328 I CA -0.227 60.920 61.300 -0.254 0.000 1.387 328 I CB 0.407 38.186 38.000 -0.369 0.000 1.404 328 I HN 0.236 nan 8.210 nan 0.000 0.528 329 D N 7.245 127.595 120.400 -0.083 0.000 2.455 329 D HA 0.008 4.648 4.640 0.000 0.000 0.241 329 D C 0.418 176.745 176.300 0.045 0.000 1.138 329 D CA 0.322 54.248 54.000 -0.123 0.000 0.877 329 D CB 0.358 41.104 40.800 -0.090 0.000 1.187 329 D HN 0.347 nan 8.370 nan 0.000 0.451 330 F N 0.372 120.333 119.950 0.020 0.000 3.090 330 F HA -0.280 4.247 4.527 0.000 0.000 0.282 330 F C 1.197 177.011 175.800 0.023 0.000 0.923 330 F CA -0.092 57.914 58.000 0.009 0.000 0.977 330 F CB -2.247 36.742 39.000 -0.018 0.000 0.954 330 F HN 0.382 nan 8.300 nan 0.000 0.695 331 F N 0.642 120.612 119.950 0.035 0.000 2.186 331 F HA -0.091 4.436 4.527 0.000 0.000 0.299 331 F C 2.140 177.939 175.800 -0.002 0.000 1.090 331 F CA 1.975 59.974 58.000 -0.001 0.000 1.307 331 F CB -0.175 38.802 39.000 -0.038 0.000 1.019 331 F HN -0.006 nan 8.300 nan 0.000 0.489 332 K N 0.116 120.538 120.400 0.037 0.000 2.147 332 K HA -0.196 4.124 4.320 0.000 0.000 0.205 332 K C 2.167 178.698 176.600 -0.114 0.000 1.049 332 K CA 1.183 57.435 56.287 -0.058 0.000 0.936 332 K CB -0.198 32.326 32.500 0.039 0.000 0.722 332 K HN 0.225 nan 8.250 nan 0.000 0.446 333 K N 1.235 121.610 120.400 -0.042 0.000 2.097 333 K HA -0.076 4.244 4.320 0.000 0.000 0.205 333 K C 1.963 178.466 176.600 -0.161 0.000 1.050 333 K CA 0.911 57.157 56.287 -0.069 0.000 0.938 333 K CB 0.018 32.522 32.500 0.006 0.000 0.718 333 K HN 0.072 nan 8.250 nan 0.000 0.442 334 I N 1.406 121.867 120.570 -0.181 0.000 2.286 334 I HA -0.270 3.900 4.170 0.000 0.000 0.248 334 I C 1.641 177.607 176.117 -0.250 0.000 1.115 334 I CA 0.897 62.101 61.300 -0.161 0.000 1.392 334 I CB -0.305 37.560 38.000 -0.226 0.000 1.065 334 I HN 0.154 nan 8.210 nan 0.000 0.418 335 N N 0.758 119.195 118.700 -0.439 0.000 2.381 335 N HA -0.144 4.596 4.740 0.000 0.000 0.182 335 N C 1.187 176.577 175.510 -0.200 0.000 1.025 335 N CA 1.091 53.883 53.050 -0.431 0.000 0.888 335 N CB -0.198 37.941 38.487 -0.580 0.000 0.965 335 N HN 0.376 nan 8.380 nan 0.000 0.438 336 D N -1.542 118.755 120.400 -0.172 0.000 2.320 336 D HA -0.013 4.627 4.640 0.000 0.000 0.228 336 D C 2.022 178.218 176.300 -0.173 0.000 0.978 336 D CA 1.458 55.385 54.000 -0.122 0.000 0.905 336 D CB -0.776 39.956 40.800 -0.112 0.000 1.051 336 D HN 0.311 nan 8.370 nan 0.000 0.471 337 T N -1.399 112.963 114.554 -0.320 0.000 2.857 337 T HA 0.005 4.355 4.350 0.000 0.000 0.266 337 T C 0.717 175.077 174.700 -0.566 0.000 1.048 337 T CA 0.605 62.399 62.100 -0.510 0.000 1.139 337 T CB -0.332 68.076 68.868 -0.768 0.000 0.874 337 T HN -0.090 nan 8.240 nan 0.000 0.455 338 F N 1.312 121.212 119.950 -0.084 0.000 2.509 338 F HA 0.723 5.250 4.527 0.000 0.000 0.334 338 F C 1.237 176.996 175.800 -0.069 0.000 1.060 338 F CA -1.683 56.274 58.000 -0.072 0.000 0.997 338 F CB 0.251 39.199 39.000 -0.086 0.000 1.271 338 F HN 0.165 nan 8.300 nan 0.000 0.488 339 G N -1.066 107.832 108.800 0.163 0.000 2.572 339 G HA2 0.105 4.065 3.960 0.000 0.000 0.261 339 G HA3 0.105 4.065 3.960 0.000 0.000 0.261 339 G C 0.576 175.528 174.900 0.087 0.000 1.197 339 G CA -0.302 44.866 45.100 0.112 0.000 0.870 339 G HN 0.824 nan 8.290 nan 0.000 0.548 340 H N -0.189 118.890 119.070 0.015 0.000 2.489 340 H HA -0.095 4.461 4.556 0.000 0.000 0.293 340 H C 1.539 176.891 175.328 0.040 0.000 1.066 340 H CA 1.464 57.524 56.048 0.020 0.000 1.305 340 H CB 0.484 30.263 29.762 0.028 0.000 1.386 340 H HN 0.464 nan 8.280 nan 0.000 0.551 341 D N 0.536 121.018 120.400 0.137 0.000 2.144 341 D HA -0.116 4.524 4.640 0.000 0.000 0.200 341 D C 2.194 178.507 176.300 0.021 0.000 0.978 341 D CA 0.442 54.488 54.000 0.076 0.000 0.833 341 D CB 0.061 40.894 40.800 0.056 0.000 0.961 341 D HN 0.314 nan 8.370 nan 0.000 0.470 342 I N 0.923 121.495 120.570 0.004 0.000 2.315 342 I HA -0.079 4.091 4.170 0.000 0.000 0.248 342 I C 2.555 178.672 176.117 -0.001 0.000 1.117 342 I CA 0.881 62.161 61.300 -0.034 0.000 1.404 342 I CB -1.686 36.288 38.000 -0.043 0.000 1.071 342 I HN -0.047 nan 8.210 nan 0.000 0.419 343 G N 1.022 109.813 108.800 -0.015 0.000 2.418 343 G HA2 -0.233 3.727 3.960 0.000 0.000 0.217 343 G HA3 -0.233 3.727 3.960 0.000 0.000 0.217 343 G C 1.313 176.351 174.900 0.229 0.000 1.158 343 G CA 0.716 45.825 45.100 0.014 0.000 0.771 343 G HN 0.295 nan 8.290 nan 0.000 0.545 344 D N 0.780 121.285 120.400 0.175 0.000 2.104 344 D HA -0.096 4.544 4.640 0.000 0.000 0.194 344 D C 2.402 178.808 176.300 0.176 0.000 0.994 344 D CA 1.081 55.193 54.000 0.187 0.000 0.830 344 D CB -0.301 40.585 40.800 0.144 0.000 0.959 344 D HN 0.465 nan 8.370 nan 0.000 0.452 345 E N 0.138 120.413 120.200 0.125 0.000 2.110 345 E HA -0.114 4.236 4.350 0.000 0.000 0.193 345 E C 2.276 178.997 176.600 0.202 0.000 0.988 345 E CA 0.489 56.959 56.400 0.117 0.000 0.804 345 E CB 0.148 29.867 29.700 0.033 0.000 0.745 345 E HN 0.095 nan 8.360 nan 0.000 0.458 346 V N 1.306 121.358 119.914 0.229 0.000 2.358 346 V HA -0.240 3.880 4.120 0.000 0.000 0.246 346 V C 2.263 178.572 176.094 0.357 0.000 1.047 346 V CA 1.389 63.872 62.300 0.306 0.000 1.035 346 V CB -0.374 31.580 31.823 0.218 0.000 0.658 346 V HN 0.260 nan 8.190 nan 0.000 0.452 347 L N -0.663 120.757 121.223 0.328 0.000 2.083 347 L HA -0.166 4.174 4.340 0.000 0.000 0.209 347 L C 2.783 179.849 176.870 0.326 0.000 1.083 347 L CA 1.593 56.627 54.840 0.322 0.000 0.752 347 L CB -0.581 41.656 42.059 0.296 0.000 0.899 347 L HN 0.239 nan 8.230 nan 0.000 0.433 348 R N -0.393 120.259 120.500 0.254 0.000 2.066 348 R HA -0.120 4.220 4.340 0.000 0.000 0.232 348 R C 2.261 178.655 176.300 0.157 0.000 1.131 348 R CA 1.014 57.225 56.100 0.186 0.000 0.955 348 R CB -0.246 30.138 30.300 0.140 0.000 0.851 348 R HN 0.354 nan 8.270 nan 0.000 0.432 349 E N 0.325 120.644 120.200 0.198 0.000 2.038 349 E HA -0.225 4.125 4.350 0.000 0.000 0.195 349 E C 1.788 178.461 176.600 0.122 0.000 1.000 349 E CA 1.300 57.766 56.400 0.109 0.000 0.803 349 E CB -0.255 29.514 29.700 0.115 0.000 0.750 349 E HN 0.230 nan 8.360 nan 0.000 0.448 350 F N 1.407 121.503 119.950 0.243 0.000 2.126 350 F HA -0.226 4.301 4.527 0.000 0.000 0.299 350 F C 2.285 178.028 175.800 -0.095 0.000 1.096 350 F CA 1.655 59.720 58.000 0.109 0.000 1.255 350 F CB -0.207 38.772 39.000 -0.034 0.000 0.997 350 F HN -0.023 nan 8.300 nan 0.000 0.479 351 A N 0.445 123.200 122.820 -0.107 0.000 1.908 351 A HA -0.211 4.109 4.320 0.000 0.000 0.218 351 A C 2.104 179.578 177.584 -0.183 0.000 1.181 351 A CA 1.899 53.853 52.037 -0.137 0.000 0.627 351 A CB -1.287 17.793 19.000 0.133 0.000 0.818 351 A HN 0.526 nan 8.150 nan 0.000 0.445 352 L N -0.300 120.854 121.223 -0.115 0.000 2.027 352 L HA -0.119 4.221 4.340 0.000 0.000 0.206 352 L C 2.537 179.305 176.870 -0.170 0.000 1.074 352 L CA 1.904 56.679 54.840 -0.109 0.000 0.745 352 L CB -0.464 41.554 42.059 -0.069 0.000 0.898 352 L HN 0.333 nan 8.230 nan 0.000 0.433 353 R N -1.007 119.359 120.500 -0.223 0.000 2.081 353 R HA -0.155 4.185 4.340 0.000 0.000 0.235 353 R C 2.171 178.288 176.300 -0.306 0.000 1.131 353 R CA 1.540 57.502 56.100 -0.231 0.000 0.960 353 R CB -0.768 29.411 30.300 -0.201 0.000 0.856 353 R HN 0.316 nan 8.270 nan 0.000 0.436 354 L N 0.967 121.894 121.223 -0.493 0.000 1.970 354 L HA -0.137 4.203 4.340 0.000 0.000 0.212 354 L C 2.321 179.037 176.870 -0.257 0.000 1.071 354 L CA 2.157 56.710 54.840 -0.479 0.000 0.751 354 L CB -0.761 40.852 42.059 -0.743 0.000 0.889 354 L HN 0.133 nan 8.230 nan 0.000 0.432 355 A N -1.556 121.142 122.820 -0.204 0.000 1.978 355 A HA -0.193 4.127 4.320 0.000 0.000 0.220 355 A C 2.356 179.878 177.584 -0.104 0.000 1.170 355 A CA 2.023 53.993 52.037 -0.111 0.000 0.636 355 A CB -0.922 18.029 19.000 -0.080 0.000 0.810 355 A HN 0.573 nan 8.150 nan 0.000 0.448 356 S N 0.112 115.734 115.700 -0.131 0.000 2.402 356 S HA -0.096 4.374 4.470 0.000 0.000 0.229 356 S C 1.158 175.667 174.600 -0.150 0.000 1.021 356 S CA 1.442 59.569 58.200 -0.122 0.000 0.974 356 S CB -0.322 62.804 63.200 -0.124 0.000 0.800 356 S HN 0.736 nan 8.310 nan 0.000 0.484 357 N N 0.308 118.886 118.700 -0.203 0.000 2.279 357 N HA 0.337 5.077 4.740 0.000 0.000 0.226 357 N C -0.936 174.484 175.510 -0.150 0.000 1.126 357 N CA 0.004 52.910 53.050 -0.240 0.000 0.846 357 N CB 1.013 39.254 38.487 -0.411 0.000 1.050 357 N HN 0.037 nan 8.380 nan 0.000 0.502 358 V N 0.072 119.924 119.914 -0.102 0.000 3.114 358 V HA 0.379 4.499 4.120 0.000 0.000 0.308 358 V C -0.271 175.804 176.094 -0.032 0.000 1.168 358 V CA -1.018 61.248 62.300 -0.057 0.000 1.015 358 V CB 2.725 34.521 31.823 -0.045 0.000 1.050 358 V HN 0.077 nan 8.190 nan 0.000 0.433 359 R N 1.381 121.875 120.500 -0.010 0.000 2.694 359 R HA 0.385 4.726 4.340 0.000 0.000 0.268 359 R C 1.257 177.572 176.300 0.025 0.000 1.061 359 R CA 0.400 56.503 56.100 0.004 0.000 1.133 359 R CB 0.482 30.790 30.300 0.013 0.000 1.020 359 R HN 0.890 nan 8.270 nan 0.000 0.475 360 A N 2.671 125.509 122.820 0.031 0.000 2.015 360 A HA -0.139 4.181 4.320 0.000 0.000 0.219 360 A C 1.919 179.552 177.584 0.081 0.000 1.163 360 A CA 1.439 53.510 52.037 0.057 0.000 0.646 360 A CB -0.704 18.327 19.000 0.051 0.000 0.806 360 A HN 0.819 nan 8.150 nan 0.000 0.448 361 I N -2.976 117.633 120.570 0.066 0.000 3.291 361 I HA 0.058 4.229 4.170 0.000 0.000 0.279 361 I C -0.403 175.753 176.117 0.065 0.000 1.294 361 I CA -0.001 61.340 61.300 0.068 0.000 1.428 361 I CB -0.251 37.783 38.000 0.055 0.000 1.070 361 I HN -0.056 nan 8.210 nan 0.000 0.478 362 D N 1.971 122.410 120.400 0.065 0.000 2.383 362 D HA 0.428 5.068 4.640 0.000 0.000 0.248 362 D C -0.180 176.188 176.300 0.113 0.000 1.170 362 D CA -0.090 53.950 54.000 0.067 0.000 0.977 362 D CB 1.745 42.575 40.800 0.050 0.000 1.120 362 D HN 0.142 nan 8.370 nan 0.000 0.481 363 L N 2.250 123.542 121.223 0.116 0.000 2.387 363 L HA 0.274 4.614 4.340 0.000 0.000 0.259 363 L C -2.334 174.666 176.870 0.217 0.000 1.050 363 L CA -1.711 53.241 54.840 0.187 0.000 0.922 363 L CB 1.351 43.468 42.059 0.096 0.000 1.280 363 L HN -0.007 nan 8.230 nan 0.000 0.449 364 P HA 0.232 nan 4.420 nan 0.000 0.281 364 P C -0.780 176.685 177.300 0.274 0.000 1.252 364 P CA -0.247 62.975 63.100 0.204 0.000 0.778 364 P CB 1.396 33.167 31.700 0.118 0.000 0.895 365 C N 2.971 122.440 119.300 0.282 0.000 2.797 365 C HA 0.479 4.939 4.460 0.000 0.000 0.306 365 C C 0.340 175.448 174.990 0.196 0.000 1.207 365 C CA -0.701 58.473 59.018 0.260 0.000 1.507 365 C CB 1.633 29.525 27.740 0.254 0.000 2.028 365 C HN 0.545 nan 8.230 nan 0.000 0.475 366 R N 1.117 121.644 120.500 0.045 0.000 2.272 366 R HA 0.185 4.525 4.340 0.000 0.000 0.334 366 R C 0.247 176.489 176.300 -0.097 0.000 1.117 366 R CA 0.048 55.992 56.100 -0.260 0.000 0.966 366 R CB -0.383 29.789 30.300 -0.213 0.000 1.049 366 R HN 0.799 nan 8.270 nan 0.000 0.477 367 Y N 3.001 123.157 120.300 -0.240 0.000 2.269 367 Y HA 0.343 4.893 4.550 0.000 0.000 0.294 367 Y C 0.778 176.609 175.900 -0.116 0.000 1.120 367 Y CA 1.323 59.358 58.100 -0.107 0.000 1.159 367 Y CB 0.363 38.793 38.460 -0.050 0.000 1.024 367 Y HN 0.565 nan 8.280 nan 0.000 0.532 368 G N -1.930 106.719 108.800 -0.252 0.000 3.086 368 G HA2 0.389 4.349 3.960 0.000 0.000 0.282 368 G HA3 0.389 4.349 3.960 0.000 0.000 0.282 368 G C 0.777 175.538 174.900 -0.231 0.000 1.343 368 G CA -0.338 44.601 45.100 -0.269 0.000 0.895 368 G HN 0.238 nan 8.290 nan 0.000 0.557 369 G N -0.266 108.443 108.800 -0.153 0.000 2.446 369 G HA2 -0.089 3.871 3.960 0.000 0.000 0.217 369 G HA3 -0.089 3.871 3.960 0.000 0.000 0.217 369 G C 1.268 176.067 174.900 -0.168 0.000 1.168 369 G CA 1.841 46.878 45.100 -0.106 0.000 0.771 369 G HN 0.764 nan 8.290 nan 0.000 0.551 370 E N -0.020 120.073 120.200 -0.177 0.000 2.434 370 E HA 0.130 4.480 4.350 0.000 0.000 0.207 370 E C 0.545 177.029 176.600 -0.193 0.000 0.929 370 E CA -0.209 56.023 56.400 -0.280 0.000 1.001 370 E CB -0.050 29.566 29.700 -0.140 0.000 1.016 370 E HN 0.491 nan 8.360 nan 0.000 0.502 371 E N 1.186 121.301 120.200 -0.140 0.000 2.248 371 E HA 0.365 4.715 4.350 0.000 0.000 0.272 371 E C -0.985 175.573 176.600 -0.070 0.000 1.008 371 E CA -0.631 55.785 56.400 0.026 0.000 0.856 371 E CB 1.317 31.091 29.700 0.122 0.000 1.120 371 E HN 0.055 nan 8.360 nan 0.000 0.397 372 F N 0.015 120.029 119.950 0.107 0.000 2.588 372 F HA 0.469 4.996 4.527 0.000 0.000 0.314 372 F C -0.434 175.441 175.800 0.125 0.000 1.069 372 F CA -1.049 57.055 58.000 0.175 0.000 0.931 372 F CB 2.451 41.622 39.000 0.285 0.000 1.260 372 F HN 0.159 nan 8.300 nan 0.000 0.465 373 V N 2.689 122.766 119.914 0.272 0.000 2.789 373 V HA 0.587 4.707 4.120 0.000 0.000 0.311 373 V C -1.110 175.068 176.094 0.139 0.000 1.073 373 V CA -0.844 61.517 62.300 0.101 0.000 0.921 373 V CB 2.328 34.088 31.823 -0.105 0.000 1.009 373 V HN 0.481 nan 8.190 nan 0.000 0.426 374 V N 5.594 125.563 119.914 0.091 0.000 2.378 374 V HA 0.514 4.634 4.120 0.000 0.000 0.288 374 V C -0.543 175.575 176.094 0.041 0.000 1.016 374 V CA -0.558 61.790 62.300 0.081 0.000 0.840 374 V CB 1.524 33.389 31.823 0.070 0.000 0.994 374 V HN 0.605 nan 8.190 nan 0.000 0.431 375 I N 5.556 126.151 120.570 0.041 0.000 2.385 375 I HA 0.500 4.670 4.170 0.000 0.000 0.294 375 I C 0.124 176.255 176.117 0.022 0.000 0.988 375 I CA -0.424 60.886 61.300 0.016 0.000 1.265 375 I CB 1.511 39.513 38.000 0.004 0.000 1.388 375 I HN 0.531 nan 8.210 nan 0.000 0.480 376 M N 8.286 127.892 119.600 0.011 0.000 2.053 376 M HA 0.384 4.865 4.480 0.000 0.000 0.297 376 M C -2.469 173.834 176.300 0.005 0.000 0.921 376 M CA -1.623 53.685 55.300 0.012 0.000 0.918 376 M CB 1.789 34.395 32.600 0.010 0.000 1.499 376 M HN 0.207 nan 8.290 nan 0.000 0.422 377 P HA 0.019 nan 4.420 nan 0.000 0.267 377 P C -0.686 176.616 177.300 0.004 0.000 1.200 377 P CA 0.412 63.514 63.100 0.003 0.000 0.772 377 P CB 0.352 32.057 31.700 0.008 0.000 0.855 378 D N -0.466 119.934 120.400 0.000 0.000 2.689 378 D HA -0.127 4.513 4.640 0.000 0.000 0.237 378 D C -0.731 175.569 176.300 0.001 0.000 1.148 378 D CA 1.263 55.264 54.000 0.000 0.000 0.656 378 D CB -1.941 38.861 40.800 0.004 0.000 1.050 378 D HN 0.314 nan 8.370 nan 0.000 0.426 379 T N -0.272 114.281 114.554 -0.002 0.000 2.937 379 T HA 0.642 4.992 4.350 0.000 0.000 0.297 379 T C 0.186 174.883 174.700 -0.006 0.000 0.991 379 T CA -0.278 61.821 62.100 -0.002 0.000 0.990 379 T CB 1.972 70.840 68.868 0.000 0.000 0.991 379 T HN 0.307 nan 8.240 nan 0.000 0.440 380 A N 2.303 125.119 122.820 -0.006 0.000 2.322 380 A HA 0.611 4.931 4.320 0.000 0.000 0.269 380 A C 1.503 179.082 177.584 -0.010 0.000 1.094 380 A CA -0.540 51.491 52.037 -0.010 0.000 0.807 380 A CB 0.161 19.156 19.000 -0.009 0.000 1.047 380 A HN 0.851 nan 8.150 nan 0.000 0.487 381 L N 2.303 123.517 121.223 -0.015 0.000 2.043 381 L HA -0.198 4.142 4.340 0.000 0.000 0.212 381 L C 2.536 179.401 176.870 -0.008 0.000 1.075 381 L CA 3.038 57.870 54.840 -0.014 0.000 0.752 381 L CB -1.006 41.039 42.059 -0.023 0.000 0.891 381 L HN 0.799 nan 8.230 nan 0.000 0.432 382 A N -1.045 121.770 122.820 -0.007 0.000 1.948 382 A HA -0.243 4.078 4.320 0.000 0.000 0.220 382 A C 2.027 179.611 177.584 0.000 0.000 1.177 382 A CA 2.071 54.106 52.037 -0.003 0.000 0.636 382 A CB -0.755 18.243 19.000 -0.003 0.000 0.815 382 A HN 0.594 nan 8.150 nan 0.000 0.449 383 D N -0.372 120.028 120.400 -0.001 0.000 2.162 383 D HA 0.071 4.711 4.640 0.000 0.000 0.203 383 D C 2.301 178.603 176.300 0.003 0.000 0.967 383 D CA 1.242 55.243 54.000 0.002 0.000 0.840 383 D CB -0.408 40.392 40.800 0.001 0.000 0.972 383 D HN 0.402 nan 8.370 nan 0.000 0.482 384 A N 1.205 124.026 122.820 0.002 0.000 1.908 384 A HA -0.160 4.160 4.320 0.000 0.000 0.218 384 A C 2.395 179.984 177.584 0.008 0.000 1.181 384 A CA 0.998 53.037 52.037 0.004 0.000 0.627 384 A CB -0.866 18.135 19.000 0.001 0.000 0.818 384 A HN 0.194 nan 8.150 nan 0.000 0.445 385 L N -1.393 119.834 121.223 0.007 0.000 2.012 385 L HA -0.224 4.116 4.340 0.000 0.000 0.210 385 L C 2.838 179.717 176.870 0.015 0.000 1.073 385 L CA 1.959 56.806 54.840 0.011 0.000 0.748 385 L CB -0.459 41.605 42.059 0.009 0.000 0.891 385 L HN 0.417 nan 8.230 nan 0.000 0.431 386 R N 0.303 120.811 120.500 0.013 0.000 2.081 386 R HA -0.133 4.207 4.340 0.000 0.000 0.235 386 R C 2.291 178.601 176.300 0.017 0.000 1.131 386 R CA 1.349 57.458 56.100 0.015 0.000 0.960 386 R CB -0.170 30.137 30.300 0.011 0.000 0.856 386 R HN 0.293 nan 8.270 nan 0.000 0.436 387 I N 0.247 120.824 120.570 0.012 0.000 2.252 387 I HA -0.217 3.953 4.170 0.000 0.000 0.245 387 I C 2.497 178.624 176.117 0.016 0.000 1.102 387 I CA 1.153 62.459 61.300 0.008 0.000 1.385 387 I CB -0.362 37.640 38.000 0.003 0.000 1.064 387 I HN 0.238 nan 8.210 nan 0.000 0.414 388 A N 0.445 123.279 122.820 0.023 0.000 1.940 388 A HA -0.287 4.033 4.320 0.000 0.000 0.219 388 A C 2.222 179.833 177.584 0.044 0.000 1.176 388 A CA 2.201 54.259 52.037 0.035 0.000 0.631 388 A CB -0.559 18.461 19.000 0.034 0.000 0.814 388 A HN 0.408 nan 8.150 nan 0.000 0.446 389 E N -0.187 120.036 120.200 0.039 0.000 2.106 389 E HA -0.154 4.196 4.350 0.000 0.000 0.192 389 E C 2.133 178.769 176.600 0.060 0.000 0.984 389 E CA 1.322 57.749 56.400 0.046 0.000 0.806 389 E CB -0.239 29.483 29.700 0.037 0.000 0.750 389 E HN 0.579 nan 8.360 nan 0.000 0.458 390 R N -0.135 120.397 120.500 0.053 0.000 2.081 390 R HA -0.094 4.246 4.340 0.000 0.000 0.235 390 R C 2.285 178.639 176.300 0.090 0.000 1.131 390 R CA 1.641 57.784 56.100 0.071 0.000 0.960 390 R CB -0.310 30.007 30.300 0.027 0.000 0.856 390 R HN 0.255 nan 8.270 nan 0.000 0.436 391 I N 0.128 120.727 120.570 0.048 0.000 2.202 391 I HA -0.265 3.905 4.170 0.000 0.000 0.242 391 I C 2.786 178.977 176.117 0.123 0.000 1.091 391 I CA 1.129 62.459 61.300 0.050 0.000 1.368 391 I CB -0.366 37.651 38.000 0.029 0.000 1.058 391 I HN 0.218 nan 8.210 nan 0.000 0.410 392 R N 0.819 121.388 120.500 0.115 0.000 2.117 392 R HA -0.203 4.138 4.340 0.000 0.000 0.243 392 R C 2.297 178.671 176.300 0.124 0.000 1.143 392 R CA 1.631 57.803 56.100 0.120 0.000 0.968 392 R CB -0.107 30.244 30.300 0.085 0.000 0.863 392 R HN 0.338 nan 8.270 nan 0.000 0.444 393 M N -1.092 118.580 119.600 0.119 0.000 2.099 393 M HA -0.152 4.328 4.480 0.000 0.000 0.262 393 M C 2.082 178.436 176.300 0.091 0.000 1.067 393 M CA 1.404 56.761 55.300 0.095 0.000 1.124 393 M CB -0.760 31.890 32.600 0.083 0.000 1.353 393 M HN 0.309 nan 8.290 nan 0.000 0.410 394 H N -0.070 119.021 119.070 0.035 0.000 2.421 394 H HA -0.092 4.464 4.556 0.000 0.000 0.298 394 H C 2.199 177.555 175.328 0.048 0.000 1.087 394 H CA 1.899 57.956 56.048 0.016 0.000 1.330 394 H CB 0.164 29.915 29.762 -0.019 0.000 1.388 394 H HN 0.367 nan 8.280 nan 0.000 0.526 395 V N -0.831 119.220 119.914 0.227 0.000 2.446 395 V HA -0.095 4.025 4.120 0.000 0.000 0.244 395 V C 2.389 178.669 176.094 0.309 0.000 1.039 395 V CA 1.595 64.091 62.300 0.326 0.000 1.045 395 V CB -0.498 31.587 31.823 0.436 0.000 0.681 395 V HN 0.335 nan 8.190 nan 0.000 0.459 396 S N 0.737 116.552 115.700 0.191 0.000 2.501 396 S HA 0.205 4.675 4.470 0.000 0.000 0.220 396 S C 1.907 176.561 174.600 0.090 0.000 0.997 396 S CA 0.693 58.977 58.200 0.140 0.000 0.919 396 S CB -0.203 63.058 63.200 0.101 0.000 0.778 396 S HN 0.761 nan 8.310 nan 0.000 0.523 397 G N 0.538 109.369 108.800 0.052 0.000 2.598 397 G HA2 0.240 4.200 3.960 0.000 0.000 0.215 397 G HA3 0.240 4.200 3.960 0.000 0.000 0.215 397 G C 0.287 175.181 174.900 -0.010 0.000 1.131 397 G CA 0.517 45.613 45.100 -0.006 0.000 0.785 397 G HN 0.602 nan 8.290 nan 0.000 0.539 398 S N -0.186 115.529 115.700 0.026 0.000 2.536 398 S HA 0.635 5.105 4.470 0.000 0.000 0.271 398 S C -3.071 171.587 174.600 0.096 0.000 1.134 398 S CA -1.172 57.037 58.200 0.016 0.000 0.897 398 S CB 2.234 65.404 63.200 -0.051 0.000 1.094 398 S HN -0.102 nan 8.310 nan 0.000 0.473 399 P HA 0.354 nan 4.420 nan 0.000 0.274 399 P C -0.964 176.450 177.300 0.191 0.000 1.231 399 P CA -0.232 62.974 63.100 0.177 0.000 0.790 399 P CB 0.200 31.956 31.700 0.095 0.000 0.951 400 F N -0.122 119.832 119.950 0.006 0.000 2.371 400 F HA 0.240 4.767 4.527 0.000 0.000 0.329 400 F C 1.044 176.832 175.800 -0.020 0.000 1.107 400 F CA -0.195 57.808 58.000 0.006 0.000 1.137 400 F CB 0.763 39.775 39.000 0.021 0.000 1.214 400 F HN 0.093 nan 8.300 nan 0.000 0.536 401 T N 2.722 117.345 114.554 0.116 0.000 2.762 401 T HA 0.321 4.671 4.350 0.000 0.000 0.303 401 T C 0.835 175.558 174.700 0.038 0.000 0.977 401 T CA -0.666 61.464 62.100 0.049 0.000 0.961 401 T CB 0.721 69.599 68.868 0.017 0.000 0.944 401 T HN 0.319 nan 8.240 nan 0.000 0.481 402 V N 2.062 121.965 119.914 -0.018 0.000 2.388 402 V HA 0.262 4.382 4.120 0.000 0.000 0.217 402 V C 1.802 177.825 176.094 -0.117 0.000 1.085 402 V CA 0.194 62.442 62.300 -0.086 0.000 1.092 402 V CB -1.028 30.667 31.823 -0.214 0.000 0.695 402 V HN 0.876 nan 8.190 nan 0.000 0.482 403 A N -0.053 122.690 122.820 -0.128 0.000 2.897 403 A HA 0.132 4.452 4.320 0.000 0.000 0.287 403 A C 0.499 178.070 177.584 -0.022 0.000 1.748 403 A CA -0.007 51.960 52.037 -0.117 0.000 1.397 403 A CB -1.678 17.282 19.000 -0.067 0.000 1.049 403 A HN 0.740 nan 8.150 nan 0.000 0.592 404 H N 0.627 119.700 119.070 0.005 0.000 2.484 404 H HA -0.272 4.284 4.556 0.000 0.000 0.321 404 H C 1.584 176.915 175.328 0.005 0.000 1.065 404 H CA 1.653 57.708 56.048 0.011 0.000 1.118 404 H CB -1.407 28.363 29.762 0.013 0.000 1.511 404 H HN 1.727 nan 8.280 nan 0.000 0.403 405 G N -0.513 108.334 108.800 0.079 0.000 2.253 405 G HA2 -0.389 3.571 3.960 0.000 0.000 0.251 405 G HA3 -0.389 3.571 3.960 0.000 0.000 0.251 405 G C 1.301 176.218 174.900 0.029 0.000 0.998 405 G CA 0.437 45.566 45.100 0.048 0.000 0.621 405 G HN 0.537 nan 8.290 nan 0.000 0.524 406 R N 0.670 121.189 120.500 0.031 0.000 2.317 406 R HA 0.325 4.665 4.340 0.000 0.000 0.208 406 R C 0.196 176.494 176.300 -0.005 0.000 0.914 406 R CA 0.416 56.527 56.100 0.018 0.000 1.060 406 R CB 0.375 30.694 30.300 0.032 0.000 1.015 406 R HN 0.478 nan 8.270 nan 0.000 0.498 407 E N 0.428 120.613 120.200 -0.026 0.000 2.335 407 E HA 0.259 4.609 4.350 0.000 0.000 0.280 407 E C -0.867 175.698 176.600 -0.059 0.000 0.918 407 E CA -0.569 55.799 56.400 -0.053 0.000 0.765 407 E CB 1.958 31.601 29.700 -0.096 0.000 1.218 407 E HN -0.127 nan 8.360 nan 0.000 0.425 408 M N 1.962 121.537 119.600 -0.042 0.000 2.471 408 M HA 0.577 5.058 4.480 0.000 0.000 0.309 408 M C -0.690 175.589 176.300 -0.034 0.000 1.186 408 M CA -1.001 54.289 55.300 -0.016 0.000 1.008 408 M CB 0.604 33.208 32.600 0.006 0.000 1.551 408 M HN 0.457 nan 8.290 nan 0.000 0.477 409 L N 2.306 123.538 121.223 0.015 0.000 2.588 409 L HA 0.455 4.795 4.340 0.000 0.000 0.263 409 L C -1.484 175.425 176.870 0.064 0.000 0.935 409 L CA -0.351 54.486 54.840 -0.005 0.000 0.891 409 L CB 1.664 43.669 42.059 -0.090 0.000 1.318 409 L HN 0.602 nan 8.230 nan 0.000 0.409 410 N N 3.377 122.101 118.700 0.039 0.000 2.488 410 N HA 0.610 5.350 4.740 0.000 0.000 0.274 410 N C -1.018 174.491 175.510 -0.001 0.000 1.111 410 N CA -0.143 52.941 53.050 0.057 0.000 0.974 410 N CB 1.754 40.269 38.487 0.046 0.000 1.089 410 N HN 0.394 nan 8.380 nan 0.000 0.465 411 V N 0.635 120.541 119.914 -0.014 0.000 2.760 411 V HA 0.585 4.705 4.120 0.000 0.000 0.309 411 V C 0.116 176.204 176.094 -0.010 0.000 1.077 411 V CA -0.838 61.381 62.300 -0.136 0.000 0.910 411 V CB 1.969 33.418 31.823 -0.622 0.000 1.008 411 V HN 0.858 nan 8.190 nan 0.000 0.424 412 T N 1.770 116.325 114.554 0.003 0.000 2.926 412 T HA 0.911 5.261 4.350 0.000 0.000 0.289 412 T C -0.588 174.106 174.700 -0.009 0.000 1.054 412 T CA -0.764 61.358 62.100 0.037 0.000 1.015 412 T CB 2.209 71.112 68.868 0.058 0.000 1.167 412 T HN 0.864 nan 8.240 nan 0.000 0.526 413 I N -2.045 118.529 120.570 0.007 0.000 2.969 413 I HA 0.802 4.972 4.170 0.000 0.000 0.307 413 I C -1.035 175.073 176.117 -0.016 0.000 1.149 413 I CA -1.091 60.187 61.300 -0.036 0.000 1.008 413 I CB 2.516 40.507 38.000 -0.016 0.000 1.232 413 I HN 0.558 nan 8.210 nan 0.000 0.435 414 S N 4.457 120.134 115.700 -0.038 0.000 2.473 414 S HA 0.717 5.187 4.470 0.000 0.000 0.307 414 S C -0.471 174.130 174.600 0.003 0.000 1.094 414 S CA -0.529 57.657 58.200 -0.023 0.000 1.070 414 S CB 1.312 64.479 63.200 -0.054 0.000 1.019 414 S HN 0.442 nan 8.310 nan 0.000 0.480 415 I N 2.022 122.604 120.570 0.021 0.000 2.465 415 I HA 0.569 4.739 4.170 0.000 0.000 0.291 415 I C 0.462 176.596 176.117 0.030 0.000 1.014 415 I CA -0.766 60.556 61.300 0.036 0.000 1.093 415 I CB 2.109 40.139 38.000 0.050 0.000 1.267 415 I HN 0.693 nan 8.210 nan 0.000 0.431 416 G N 4.879 113.697 108.800 0.030 0.000 2.416 416 G HA2 0.676 4.636 3.960 0.000 0.000 0.329 416 G HA3 0.676 4.636 3.960 0.000 0.000 0.329 416 G C -1.085 173.825 174.900 0.017 0.000 1.173 416 G CA -0.413 44.702 45.100 0.026 0.000 0.929 416 G HN 0.339 nan 8.290 nan 0.000 0.475 417 V N 0.708 120.629 119.914 0.012 0.000 2.709 417 V HA 0.801 4.921 4.120 0.000 0.000 0.308 417 V C -0.046 176.045 176.094 -0.005 0.000 1.062 417 V CA -0.664 61.639 62.300 0.005 0.000 0.901 417 V CB 1.612 33.440 31.823 0.008 0.000 1.003 417 V HN 0.880 nan 8.190 nan 0.000 0.425 418 S N 1.972 117.665 115.700 -0.012 0.000 2.671 418 S HA 0.970 5.440 4.470 0.000 0.000 0.277 418 S C -1.243 173.342 174.600 -0.024 0.000 1.165 418 S CA 0.192 58.380 58.200 -0.021 0.000 0.822 418 S CB 2.076 65.263 63.200 -0.023 0.000 1.150 418 S HN 1.538 nan 8.310 nan 0.000 0.479 419 A N 1.320 124.121 122.820 -0.032 0.000 2.574 419 A HA 0.720 5.040 4.320 0.000 0.000 0.297 419 A C -0.114 177.447 177.584 -0.039 0.000 1.062 419 A CA -0.365 51.653 52.037 -0.032 0.000 0.686 419 A CB 0.876 19.857 19.000 -0.031 0.000 1.285 419 A HN 1.168 nan 8.150 nan 0.000 0.403 420 T N -0.533 114.004 114.554 -0.029 0.000 2.856 420 T HA 0.586 4.936 4.350 0.000 0.000 0.306 420 T C 0.197 174.876 174.700 -0.035 0.000 1.062 420 T CA 0.307 62.392 62.100 -0.025 0.000 1.083 420 T CB 1.097 69.956 68.868 -0.015 0.000 0.984 420 T HN 2.243 nan 8.240 nan 0.000 0.542 421 A N 1.004 123.809 122.820 -0.026 0.000 2.550 421 A HA 0.753 5.073 4.320 0.000 0.000 0.282 421 A C 0.449 178.045 177.584 0.020 0.000 1.071 421 A CA -0.063 51.958 52.037 -0.027 0.000 0.838 421 A CB 0.423 19.363 19.000 -0.100 0.000 1.361 421 A HN 2.336 nan 8.150 nan 0.000 0.408 422 G N 1.254 110.065 108.800 0.019 0.000 2.760 422 G HA2 -0.118 3.842 3.960 0.000 0.000 0.246 422 G HA3 -0.118 3.842 3.960 0.000 0.000 0.246 422 G C 0.661 175.576 174.900 0.026 0.000 1.359 422 G CA 0.423 45.542 45.100 0.031 0.000 0.861 422 G HN 1.175 nan 8.290 nan 0.000 0.541 423 E N -0.163 120.051 120.200 0.023 0.000 2.150 423 E HA -0.055 4.295 4.350 0.000 0.000 0.193 423 E C 2.496 179.105 176.600 0.016 0.000 0.985 423 E CA 1.607 58.016 56.400 0.015 0.000 0.814 423 E CB -0.683 29.023 29.700 0.011 0.000 0.752 423 E HN 0.874 nan 8.360 nan 0.000 0.466 424 G N 0.681 109.495 108.800 0.024 0.000 2.534 424 G HA2 -0.149 3.812 3.960 0.000 0.000 0.217 424 G HA3 -0.149 3.812 3.960 0.000 0.000 0.217 424 G C 0.683 175.598 174.900 0.025 0.000 1.128 424 G CA -0.027 45.086 45.100 0.021 0.000 0.784 424 G HN 0.181 nan 8.290 nan 0.000 0.542 425 D N 0.308 120.726 120.400 0.031 0.000 2.361 425 D HA 0.378 5.018 4.640 0.000 0.000 0.239 425 D C 0.064 176.373 176.300 0.015 0.000 1.200 425 D CA 0.737 54.755 54.000 0.030 0.000 0.915 425 D CB 1.032 41.846 40.800 0.025 0.000 1.170 425 D HN 0.086 nan 8.370 nan 0.000 0.444 426 T N 0.763 115.324 114.554 0.012 0.000 2.894 426 T HA 0.275 4.625 4.350 0.000 0.000 0.309 426 T C -2.054 172.646 174.700 0.001 0.000 1.208 426 T CA -1.055 61.049 62.100 0.006 0.000 1.016 426 T CB 1.870 70.743 68.868 0.008 0.000 1.192 426 T HN 0.049 nan 8.240 nan 0.000 0.491 427 P HA -0.120 nan 4.420 nan 0.000 0.216 427 P C 1.222 178.522 177.300 0.001 0.000 1.153 427 P CA 1.241 64.337 63.100 -0.005 0.000 0.858 427 P CB 0.239 31.937 31.700 -0.004 0.000 0.789 428 E N -0.353 119.852 120.200 0.009 0.000 2.038 428 E HA -0.169 4.182 4.350 0.000 0.000 0.195 428 E C 2.182 178.789 176.600 0.011 0.000 1.000 428 E CA 1.825 58.234 56.400 0.015 0.000 0.803 428 E CB -1.341 28.368 29.700 0.015 0.000 0.750 428 E HN 0.144 nan 8.360 nan 0.000 0.448 429 A N 0.338 123.164 122.820 0.011 0.000 1.930 429 A HA -0.122 4.198 4.320 0.000 0.000 0.217 429 A C 2.157 179.746 177.584 0.007 0.000 1.175 429 A CA 1.248 53.294 52.037 0.015 0.000 0.627 429 A CB -0.626 18.389 19.000 0.026 0.000 0.815 429 A HN 0.259 nan 8.150 nan 0.000 0.443 430 L N -0.122 121.100 121.223 -0.002 0.000 1.976 430 L HA -0.119 4.221 4.340 0.000 0.000 0.209 430 L C 2.312 179.167 176.870 -0.025 0.000 1.071 430 L CA 1.866 56.698 54.840 -0.014 0.000 0.746 430 L CB -0.589 41.458 42.059 -0.020 0.000 0.890 430 L HN 0.396 nan 8.230 nan 0.000 0.432 431 L N -0.678 120.525 121.223 -0.034 0.000 2.083 431 L HA -0.223 4.117 4.340 0.000 0.000 0.209 431 L C 2.610 179.464 176.870 -0.027 0.000 1.083 431 L CA 1.511 56.316 54.840 -0.057 0.000 0.752 431 L CB -0.576 41.437 42.059 -0.078 0.000 0.899 431 L HN 0.290 nan 8.230 nan 0.000 0.433 432 K N 0.458 120.855 120.400 -0.005 0.000 2.032 432 K HA -0.222 4.098 4.320 0.000 0.000 0.209 432 K C 2.244 178.843 176.600 -0.001 0.000 1.048 432 K CA 1.507 57.796 56.287 0.003 0.000 0.927 432 K CB -0.066 32.437 32.500 0.006 0.000 0.712 432 K HN 0.003 nan 8.250 nan 0.000 0.441 433 R N -0.455 120.044 120.500 -0.002 0.000 2.091 433 R HA -0.108 4.232 4.340 0.000 0.000 0.238 433 R C 2.240 178.540 176.300 -0.001 0.000 1.136 433 R CA 1.569 57.669 56.100 -0.001 0.000 0.959 433 R CB -0.398 29.899 30.300 -0.004 0.000 0.856 433 R HN 0.345 nan 8.270 nan 0.000 0.437 434 A N 0.406 123.220 122.820 -0.010 0.000 1.902 434 A HA -0.217 4.103 4.320 0.000 0.000 0.217 434 A C 1.771 179.361 177.584 0.009 0.000 1.181 434 A CA 1.908 53.940 52.037 -0.008 0.000 0.623 434 A CB -0.570 18.412 19.000 -0.030 0.000 0.818 434 A HN 0.355 nan 8.150 nan 0.000 0.443 435 D N -0.426 119.980 120.400 0.010 0.000 2.144 435 D HA -0.147 4.494 4.640 0.000 0.000 0.199 435 D C 1.894 178.232 176.300 0.063 0.000 0.984 435 D CA 1.549 55.571 54.000 0.037 0.000 0.834 435 D CB -0.118 40.705 40.800 0.038 0.000 0.955 435 D HN 0.640 nan 8.370 nan 0.000 0.465 436 E N -0.565 119.658 120.200 0.038 0.000 2.150 436 E HA -0.067 4.283 4.350 0.000 0.000 0.193 436 E C 2.192 178.851 176.600 0.098 0.000 0.985 436 E CA 0.809 57.237 56.400 0.046 0.000 0.814 436 E CB -0.217 29.481 29.700 -0.002 0.000 0.752 436 E HN 0.378 nan 8.360 nan 0.000 0.466 437 G N 1.095 109.933 108.800 0.064 0.000 2.446 437 G HA2 -0.264 3.696 3.960 0.000 0.000 0.217 437 G HA3 -0.264 3.696 3.960 0.000 0.000 0.217 437 G C 1.744 176.685 174.900 0.069 0.000 1.168 437 G CA 0.875 46.010 45.100 0.059 0.000 0.771 437 G HN 0.137 nan 8.290 nan 0.000 0.551 438 V N -0.180 119.776 119.914 0.070 0.000 2.358 438 V HA -0.181 3.939 4.120 0.000 0.000 0.246 438 V C 2.249 178.384 176.094 0.068 0.000 1.047 438 V CA 1.756 64.089 62.300 0.055 0.000 1.035 438 V CB -0.718 31.135 31.823 0.050 0.000 0.658 438 V HN 0.495 nan 8.190 nan 0.000 0.452 439 Y N 0.911 121.206 120.300 -0.008 0.000 2.097 439 Y HA -0.360 4.190 4.550 0.000 0.000 0.282 439 Y C 2.791 178.684 175.900 -0.012 0.000 1.152 439 Y CA 2.538 60.632 58.100 -0.010 0.000 1.136 439 Y CB -0.171 38.287 38.460 -0.003 0.000 0.975 439 Y HN 0.251 nan 8.280 nan 0.000 0.498 440 Q N -0.237 119.684 119.800 0.201 0.000 2.119 440 Q HA -0.142 4.198 4.340 0.000 0.000 0.201 440 Q C 2.327 178.327 176.000 0.000 0.000 0.972 440 Q CA 1.293 57.160 55.803 0.106 0.000 0.847 440 Q CB -0.337 28.479 28.738 0.131 0.000 0.903 440 Q HN 0.604 nan 8.270 nan 0.000 0.433 441 A N 0.971 123.791 122.820 0.000 0.000 1.940 441 A HA -0.227 4.093 4.320 0.000 0.000 0.219 441 A C 1.874 179.421 177.584 -0.061 0.000 1.176 441 A CA 1.737 53.762 52.037 -0.020 0.000 0.631 441 A CB -0.333 18.662 19.000 -0.009 0.000 0.814 441 A HN 0.327 nan 8.150 nan 0.000 0.446 442 K N -0.381 119.952 120.400 -0.112 0.000 2.155 442 K HA 0.074 4.395 4.320 0.000 0.000 0.203 442 K C 2.112 178.614 176.600 -0.163 0.000 1.052 442 K CA 0.906 57.096 56.287 -0.162 0.000 0.948 442 K CB -0.248 32.118 32.500 -0.223 0.000 0.728 442 K HN 0.418 nan 8.250 nan 0.000 0.448 443 A N 1.376 124.084 122.820 -0.186 0.000 2.121 443 A HA -0.115 4.205 4.320 0.000 0.000 0.218 443 A C 2.072 179.617 177.584 -0.065 0.000 1.154 443 A CA 1.681 53.630 52.037 -0.147 0.000 0.679 443 A CB -0.426 18.487 19.000 -0.146 0.000 0.795 443 A HN 0.354 nan 8.150 nan 0.000 0.458 444 S N -2.232 113.440 115.700 -0.047 0.000 2.501 444 S HA 0.388 4.858 4.470 0.000 0.000 0.220 444 S C 1.238 175.828 174.600 -0.016 0.000 0.997 444 S CA 0.994 59.182 58.200 -0.020 0.000 0.919 444 S CB 0.007 63.202 63.200 -0.008 0.000 0.778 444 S HN 1.776 nan 8.310 nan 0.000 0.523 445 G N 1.401 110.184 108.800 -0.029 0.000 2.157 445 G HA2 -0.058 3.902 3.960 0.000 0.000 0.118 445 G HA3 -0.058 3.902 3.960 0.000 0.000 0.118 445 G C 0.078 174.974 174.900 -0.006 0.000 1.032 445 G CA -0.382 44.713 45.100 -0.009 0.000 0.697 445 G HN 0.567 nan 8.290 nan 0.000 0.495 446 R N -1.828 118.647 120.500 -0.041 0.000 3.824 446 R HA -0.229 4.111 4.340 0.000 0.000 0.502 446 R C 0.606 176.902 176.300 -0.006 0.000 0.241 446 R CA 0.454 56.525 56.100 -0.048 0.000 1.568 446 R CB -1.107 29.148 30.300 -0.075 0.000 1.045 446 R HN 1.339 nan 8.270 nan 0.000 0.545 447 N N -0.061 118.640 118.700 0.001 0.000 2.688 447 N HA -0.218 4.522 4.740 0.000 0.000 0.258 447 N C -1.464 174.059 175.510 0.022 0.000 1.016 447 N CA 1.516 54.580 53.050 0.023 0.000 0.747 447 N CB -0.674 37.838 38.487 0.041 0.000 0.895 447 N HN 0.818 nan 8.380 nan 0.000 0.543 448 A N -1.255 121.574 122.820 0.015 0.000 2.588 448 A HA 0.805 5.125 4.320 0.000 0.000 0.290 448 A C -1.079 176.517 177.584 0.020 0.000 1.136 448 A CA -0.260 51.788 52.037 0.017 0.000 0.681 448 A CB 1.718 20.724 19.000 0.010 0.000 1.282 448 A HN 0.308 nan 8.150 nan 0.000 0.421 449 V N -0.109 119.818 119.914 0.022 0.000 2.709 449 V HA 0.692 4.812 4.120 0.000 0.000 0.308 449 V C -1.023 175.083 176.094 0.021 0.000 1.062 449 V CA -0.500 61.815 62.300 0.024 0.000 0.901 449 V CB 1.722 33.561 31.823 0.027 0.000 1.003 449 V HN 0.849 nan 8.190 nan 0.000 0.425 450 V N 2.896 122.823 119.914 0.022 0.000 2.567 450 V HA 0.703 4.823 4.120 0.000 0.000 0.298 450 V C 0.420 176.526 176.094 0.020 0.000 1.047 450 V CA -0.334 61.979 62.300 0.022 0.000 0.880 450 V CB 1.916 33.756 31.823 0.028 0.000 1.009 450 V HN 0.996 nan 8.190 nan 0.000 0.429 451 G N 3.285 112.094 108.800 0.014 0.000 2.425 451 G HA2 0.659 4.619 3.960 0.000 0.000 0.302 451 G HA3 0.659 4.619 3.960 0.000 0.000 0.302 451 G C -0.704 174.198 174.900 0.004 0.000 1.159 451 G CA -0.495 44.609 45.100 0.007 0.000 0.865 451 G HN 0.424 nan 8.290 nan 0.000 0.515 452 K N 0.792 121.190 120.400 -0.004 0.000 2.604 452 K HA 0.505 4.825 4.320 0.000 0.000 0.247 452 K C -0.372 176.209 176.600 -0.031 0.000 0.956 452 K CA -0.488 55.794 56.287 -0.008 0.000 0.896 452 K CB 1.843 34.343 32.500 0.001 0.000 1.131 452 K HN 0.614 nan 8.250 nan 0.000 0.440 453 A N 1.634 124.428 122.820 -0.043 0.000 2.327 453 A HA 0.546 4.866 4.320 0.000 0.000 0.283 453 A C 0.656 178.143 177.584 -0.161 0.000 1.127 453 A CA -0.318 51.665 52.037 -0.090 0.000 0.810 453 A CB 0.608 19.564 19.000 -0.072 0.000 1.066 453 A HN 0.693 nan 8.150 nan 0.000 0.492 454 A N 3.739 126.353 122.820 -0.343 0.000 2.626 454 A HA 0.499 4.819 4.320 0.000 0.000 0.238 454 A C 0.405 177.127 177.584 -1.437 0.000 1.641 454 A CA 0.393 51.879 52.037 -0.918 0.000 1.449 454 A CB -1.179 17.221 19.000 -0.999 0.000 0.888 454 A HN 1.133 nan 8.150 nan 0.000 0.628 455 H N 0.000 119.069 119.070 -0.002 0.000 2.539 455 H HA 0.000 4.556 4.556 0.000 0.000 0.296 455 H CA 0.000 56.047 56.048 -0.002 0.000 1.023 455 H CB 0.000 29.760 29.762 -0.004 0.000 1.292 455 H HN 0.000 nan 8.280 nan 0.000 0.496