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 3ckn_1_A DATA FIRST_RESID 15 DATA SEQUENCE GLRDTRPGDT WLADRSWNRP GWTVAELEAA KAGRTISVVL PALDEEDTIG DATA SEQUENCE SVIDSISPLV DGLVDELIVL DSGSTDDTEI RAVAAGARVV SREQALPEVP DATA SEQUENCE IRPGKGEALW RSLAASRGDI VVFVDSDLIN PHPMFVPWLV GPLLTGDGVH DATA SEQUENCE LVKSFYRRPX XXXXXXXXXX XXXXGRVTEL VARPLLAALR PELGCILQPL DATA SEQUENCE GGEYAATREL LTSVPFAPGY GVEIGLLVDT FDRLGLDAIA QVNLGVREHR DATA SEQUENCE NRPLAELGAM SRQVIATLLS RCGIPDSGVG LTQFVADGPE GQSYTQHTWP DATA SEQUENCE VSLADRPPMQ AIRPR 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 15 G HA2 0.000 nan 3.960 nan 0.000 0.244 15 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 15 G C 0.000 173.895 174.900 -1.674 0.000 0.946 15 G CA 0.000 44.295 45.100 -1.341 0.000 0.502 16 L N 0.803 121.364 121.223 -1.104 0.000 2.478 16 L HA 0.255 4.599 4.340 0.007 0.000 0.223 16 L C 2.654 179.242 176.870 -0.470 0.000 1.140 16 L CA 0.425 54.828 54.840 -0.729 0.000 0.842 16 L CB -0.007 41.753 42.059 -0.499 0.000 0.953 16 L HN 0.118 nan 8.230 nan 0.000 0.452 17 R N -0.829 119.418 120.500 -0.421 0.000 2.297 17 R HA 0.046 4.391 4.340 0.007 0.000 0.197 17 R C -0.284 175.854 176.300 -0.271 0.000 0.943 17 R CA 0.300 56.233 56.100 -0.279 0.000 1.038 17 R CB 0.220 30.391 30.300 -0.215 0.000 0.957 17 R HN 0.042 nan 8.270 nan 0.000 0.484 18 D N -0.023 120.154 120.400 -0.371 0.000 2.312 18 D HA 0.089 4.733 4.640 0.007 0.000 0.229 18 D C -1.609 174.449 176.300 -0.403 0.000 1.337 18 D CA 0.124 53.939 54.000 -0.308 0.000 0.964 18 D CB 1.477 42.138 40.800 -0.233 0.000 1.456 18 D HN -0.148 nan 8.370 nan 0.000 0.547 19 T N 0.392 114.744 114.554 -0.336 0.000 2.900 19 T HA 0.904 5.258 4.350 0.007 0.000 0.303 19 T C -0.950 173.654 174.700 -0.159 0.000 1.142 19 T CA -0.255 61.657 62.100 -0.313 0.000 1.007 19 T CB 1.309 69.917 68.868 -0.433 0.000 1.156 19 T HN 0.463 nan 8.240 nan 0.000 0.490 20 R N 2.825 123.243 120.500 -0.138 0.000 2.795 20 R HA 0.862 5.206 4.340 0.007 0.000 0.275 20 R C -3.252 172.864 176.300 -0.307 0.000 0.981 20 R CA -2.029 53.967 56.100 -0.174 0.000 0.917 20 R CB -0.054 30.155 30.300 -0.152 0.000 1.202 20 R HN 0.636 nan 8.270 nan 0.000 0.469 21 P HA 0.262 nan 4.420 nan 0.000 0.265 21 P C 0.823 177.292 177.300 -1.384 0.000 1.222 21 P CA 1.790 64.400 63.100 -0.817 0.000 0.767 21 P CB 1.014 32.318 31.700 -0.660 0.000 0.801 22 G N 2.945 110.852 108.800 -1.489 0.000 2.541 22 G HA2 -0.163 3.802 3.960 0.007 0.000 0.201 22 G HA3 -0.163 3.802 3.960 0.007 0.000 0.201 22 G C -0.233 174.389 174.900 -0.464 0.000 1.026 22 G CA -0.539 43.731 45.100 -1.384 0.000 0.687 22 G HN 0.466 nan 8.290 nan 0.000 0.492 23 D N 2.083 122.327 120.400 -0.260 0.000 2.506 23 D HA 0.452 5.096 4.640 0.007 0.000 0.234 23 D C 0.412 176.809 176.300 0.162 0.000 1.143 23 D CA 1.125 55.170 54.000 0.076 0.000 0.871 23 D CB 0.818 41.777 40.800 0.265 0.000 1.190 23 D HN 0.242 nan 8.370 nan 0.000 0.459 24 T N 1.783 116.437 114.554 0.166 0.000 2.807 24 T HA 0.278 4.632 4.350 0.007 0.000 0.279 24 T C -0.769 173.749 174.700 -0.304 0.000 0.993 24 T CA -0.706 61.398 62.100 0.006 0.000 0.970 24 T CB 0.969 69.876 68.868 0.065 0.000 0.950 24 T HN 0.284 nan 8.240 nan 0.000 0.441 25 W N 4.996 125.843 121.300 -0.756 0.000 2.376 25 W HA 0.648 5.312 4.660 0.007 0.000 0.312 25 W C -1.473 174.749 176.519 -0.495 0.000 1.060 25 W CA -1.789 54.894 57.345 -1.103 0.000 1.221 25 W CB 0.150 28.795 29.460 -1.358 0.000 1.281 25 W HN 0.567 nan 8.180 nan 0.000 0.456 26 L N 4.896 125.943 121.223 -0.294 0.000 2.440 26 L HA 0.535 4.879 4.340 0.007 0.000 0.262 26 L C 1.576 178.157 176.870 -0.482 0.000 1.072 26 L CA -0.420 54.245 54.840 -0.291 0.000 0.798 26 L CB 0.493 42.486 42.059 -0.110 0.000 1.307 26 L HN 0.531 nan 8.230 nan 0.000 0.475 27 A N 0.379 123.011 122.820 -0.312 0.000 1.902 27 A HA -0.160 4.164 4.320 0.007 0.000 0.217 27 A C 1.273 178.731 177.584 -0.211 0.000 1.181 27 A CA 1.627 53.486 52.037 -0.298 0.000 0.623 27 A CB -0.637 18.270 19.000 -0.156 0.000 0.818 27 A HN 0.878 nan 8.150 nan 0.000 0.443 28 D N -1.309 119.032 120.400 -0.098 0.000 2.494 28 D HA 0.260 4.905 4.640 0.007 0.000 0.249 28 D C 0.982 177.326 176.300 0.074 0.000 1.223 28 D CA 0.840 54.834 54.000 -0.010 0.000 0.865 28 D CB -1.096 39.711 40.800 0.011 0.000 0.974 28 D HN 0.708 nan 8.370 nan 0.000 0.491 29 R N -0.464 120.104 120.500 0.113 0.000 4.010 29 R HA -0.232 4.112 4.340 0.007 0.000 0.409 29 R C 0.922 177.543 176.300 0.536 0.000 1.120 29 R CA 1.420 57.800 56.100 0.466 0.000 1.244 29 R CB -3.302 27.204 30.300 0.343 0.000 1.799 29 R HN 0.835 nan 8.270 nan 0.000 0.559 30 S N -1.358 114.525 115.700 0.305 0.000 2.580 30 S HA 0.636 5.111 4.470 0.007 0.000 0.274 30 S C 0.007 174.788 174.600 0.300 0.000 1.329 30 S CA -0.327 58.041 58.200 0.280 0.000 1.036 30 S CB 1.058 64.353 63.200 0.157 0.000 0.919 30 S HN 0.673 nan 8.310 nan 0.000 0.515 31 W N 1.169 122.568 121.300 0.165 0.000 2.762 31 W HA 0.625 5.289 4.660 0.006 0.000 0.355 31 W C 0.314 176.888 176.519 0.091 0.000 1.124 31 W CA -0.599 56.827 57.345 0.135 0.000 1.141 31 W CB 1.504 30.973 29.460 0.015 0.000 1.432 31 W HN 0.812 nan 8.180 nan 0.000 0.586 32 N N 1.549 120.466 118.700 0.363 0.000 2.455 32 N HA 0.266 5.011 4.740 0.007 0.000 0.285 32 N C -1.743 173.883 175.510 0.194 0.000 1.080 32 N CA -0.690 52.491 53.050 0.218 0.000 0.932 32 N CB 1.662 40.240 38.487 0.153 0.000 1.610 32 N HN 0.580 nan 8.380 nan 0.000 0.493 33 R N 3.983 124.546 120.500 0.105 0.000 2.239 33 R HA 0.411 4.756 4.340 0.007 0.000 0.332 33 R C -2.146 174.116 176.300 -0.064 0.000 0.988 33 R CA -1.235 54.876 56.100 0.017 0.000 0.859 33 R CB 0.712 31.005 30.300 -0.010 0.000 1.148 33 R HN 0.396 nan 8.270 nan 0.000 0.482 34 P HA 0.124 nan 4.420 nan 0.000 0.271 34 P C -0.209 176.773 177.300 -0.531 0.000 1.216 34 P CA -0.155 62.699 63.100 -0.410 0.000 0.771 34 P CB 1.493 32.788 31.700 -0.675 0.000 0.864 35 G N 2.580 111.103 108.800 -0.462 0.000 4.250 35 G HA2 0.231 4.195 3.960 0.007 0.000 0.295 35 G HA3 0.231 4.195 3.960 0.007 0.000 0.295 35 G C -0.106 174.725 174.900 -0.115 0.000 1.081 35 G CA -0.617 44.334 45.100 -0.248 0.000 0.854 35 G HN 0.574 nan 8.290 nan 0.000 0.524 36 W N 1.198 122.548 121.300 0.082 0.000 2.436 36 W HA 0.655 5.319 4.660 0.007 0.000 0.347 36 W C 0.167 176.725 176.519 0.065 0.000 1.136 36 W CA -0.725 56.659 57.345 0.066 0.000 1.286 36 W CB 0.051 29.549 29.460 0.062 0.000 1.253 36 W HN 0.077 nan 8.180 nan 0.000 0.617 37 T N -2.070 112.741 114.554 0.428 0.000 2.902 37 T HA 0.213 4.567 4.350 0.007 0.000 0.280 37 T C 0.871 175.771 174.700 0.333 0.000 0.992 37 T CA -0.710 61.582 62.100 0.320 0.000 1.015 37 T CB 1.793 70.761 68.868 0.166 0.000 1.044 37 T HN 0.303 nan 8.240 nan 0.000 0.520 38 V N 1.324 121.370 119.914 0.219 0.000 2.490 38 V HA -0.101 4.024 4.120 0.007 0.000 0.250 38 V C 2.968 179.070 176.094 0.013 0.000 1.061 38 V CA 2.119 64.469 62.300 0.083 0.000 1.064 38 V CB -1.561 30.290 31.823 0.048 0.000 0.670 38 V HN 1.073 nan 8.190 nan 0.000 0.461 39 A N -0.550 122.293 122.820 0.040 0.000 1.969 39 A HA -0.211 4.113 4.320 0.007 0.000 0.218 39 A C 2.257 179.847 177.584 0.010 0.000 1.169 39 A CA 1.683 53.730 52.037 0.016 0.000 0.635 39 A CB -0.359 18.657 19.000 0.027 0.000 0.810 39 A HN 0.589 nan 8.150 nan 0.000 0.445 40 E N -0.989 119.236 120.200 0.042 0.000 2.216 40 E HA -0.077 4.277 4.350 0.007 0.000 0.192 40 E C 1.706 178.275 176.600 -0.053 0.000 0.988 40 E CA 0.479 56.901 56.400 0.036 0.000 0.834 40 E CB -0.040 29.736 29.700 0.126 0.000 0.772 40 E HN 0.430 nan 8.360 nan 0.000 0.479 41 L N 1.183 122.322 121.223 -0.141 0.000 2.131 41 L HA -0.060 4.284 4.340 0.007 0.000 0.206 41 L C 2.082 178.827 176.870 -0.208 0.000 1.087 41 L CA 1.615 56.257 54.840 -0.329 0.000 0.767 41 L CB -0.200 41.519 42.059 -0.568 0.000 0.917 41 L HN 0.110 nan 8.230 nan 0.000 0.441 42 E N -0.825 119.296 120.200 -0.132 0.000 2.204 42 E HA -0.193 4.162 4.350 0.007 0.000 0.194 42 E C 2.030 178.587 176.600 -0.071 0.000 0.989 42 E CA 0.877 57.221 56.400 -0.092 0.000 0.824 42 E CB 0.068 29.730 29.700 -0.063 0.000 0.756 42 E HN 0.552 nan 8.360 nan 0.000 0.477 43 A N 0.843 123.627 122.820 -0.060 0.000 1.968 43 A HA 0.020 4.345 4.320 0.007 0.000 0.217 43 A C 2.246 179.800 177.584 -0.049 0.000 1.169 43 A CA 1.287 53.299 52.037 -0.041 0.000 0.638 43 A CB -0.315 18.673 19.000 -0.021 0.000 0.812 43 A HN 0.329 nan 8.150 nan 0.000 0.446 44 A N -0.393 122.381 122.820 -0.076 0.000 2.167 44 A HA 0.006 4.330 4.320 0.007 0.000 0.214 44 A C 1.924 179.461 177.584 -0.078 0.000 1.151 44 A CA 1.332 53.321 52.037 -0.080 0.000 0.735 44 A CB -0.320 18.608 19.000 -0.120 0.000 0.802 44 A HN 0.527 nan 8.150 nan 0.000 0.467 45 K N -0.618 119.733 120.400 -0.082 0.000 2.020 45 K HA -0.048 4.276 4.320 0.007 0.000 0.212 45 K C 0.955 177.525 176.600 -0.051 0.000 1.050 45 K CA 1.032 57.276 56.287 -0.071 0.000 0.929 45 K CB -0.458 32.002 32.500 -0.067 0.000 0.714 45 K HN 0.842 nan 8.250 nan 0.000 0.443 46 A N -0.243 122.552 122.820 -0.041 0.000 2.578 46 A HA -0.109 4.215 4.320 0.007 0.000 0.298 46 A C 0.847 178.416 177.584 -0.027 0.000 1.472 46 A CA 0.979 52.998 52.037 -0.029 0.000 0.734 46 A CB -2.327 16.658 19.000 -0.026 0.000 1.091 46 A HN 0.816 nan 8.150 nan 0.000 0.426 47 G N -1.546 107.238 108.800 -0.028 0.000 2.153 47 G HA2 -0.274 3.690 3.960 0.007 0.000 0.252 47 G HA3 -0.274 3.690 3.960 0.007 0.000 0.252 47 G C 0.135 175.019 174.900 -0.026 0.000 0.994 47 G CA 0.910 45.995 45.100 -0.025 0.000 0.698 47 G HN 1.251 nan 8.290 nan 0.000 0.521 48 R N 0.834 121.314 120.500 -0.033 0.000 2.368 48 R HA 0.549 4.893 4.340 0.007 0.000 0.302 48 R C 0.627 176.902 176.300 -0.041 0.000 1.002 48 R CA 0.273 56.353 56.100 -0.034 0.000 0.929 48 R CB 0.924 31.201 30.300 -0.038 0.000 1.073 48 R HN 0.339 nan 8.270 nan 0.000 0.464 49 T N 0.187 114.718 114.554 -0.039 0.000 2.907 49 T HA 0.570 4.924 4.350 0.007 0.000 0.284 49 T C 0.264 174.932 174.700 -0.053 0.000 1.004 49 T CA -0.720 61.353 62.100 -0.044 0.000 1.063 49 T CB 1.033 69.877 68.868 -0.040 0.000 0.992 49 T HN 0.338 nan 8.240 nan 0.000 0.483 50 I N 2.072 122.605 120.570 -0.061 0.000 2.436 50 I HA 0.363 4.537 4.170 0.007 0.000 0.289 50 I C -0.059 176.008 176.117 -0.082 0.000 1.010 50 I CA -0.685 60.571 61.300 -0.074 0.000 1.098 50 I CB 2.085 40.039 38.000 -0.076 0.000 1.266 50 I HN 0.652 nan 8.210 nan 0.000 0.434 51 S N 4.933 120.569 115.700 -0.105 0.000 2.475 51 S HA 0.589 5.063 4.470 0.007 0.000 0.298 51 S C -0.336 174.168 174.600 -0.160 0.000 1.119 51 S CA -0.662 57.466 58.200 -0.119 0.000 1.085 51 S CB 2.010 65.135 63.200 -0.125 0.000 1.028 51 S HN 0.279 nan 8.310 nan 0.000 0.489 52 V N 3.477 123.314 119.914 -0.128 0.000 2.398 52 V HA 0.465 4.589 4.120 0.007 0.000 0.286 52 V C -0.393 175.630 176.094 -0.119 0.000 1.026 52 V CA -0.605 61.613 62.300 -0.137 0.000 0.868 52 V CB 1.516 33.294 31.823 -0.075 0.000 0.982 52 V HN 0.665 nan 8.190 nan 0.000 0.443 53 V N 6.650 126.469 119.914 -0.157 0.000 2.448 53 V HA 0.484 4.608 4.120 0.007 0.000 0.295 53 V C -0.322 175.821 176.094 0.082 0.000 1.025 53 V CA -0.470 61.813 62.300 -0.029 0.000 0.859 53 V CB 1.749 33.576 31.823 0.007 0.000 0.988 53 V HN 0.672 nan 8.190 nan 0.000 0.431 54 L N 7.716 128.990 121.223 0.085 0.000 2.301 54 L HA 0.473 4.817 4.340 0.007 0.000 0.278 54 L C -2.404 174.533 176.870 0.111 0.000 1.022 54 L CA -1.710 53.190 54.840 0.101 0.000 0.854 54 L CB 1.769 43.867 42.059 0.066 0.000 1.226 54 L HN 0.393 nan 8.230 nan 0.000 0.429 55 P HA 0.249 nan 4.420 nan 0.000 0.276 55 P C -0.862 176.497 177.300 0.098 0.000 1.230 55 P CA -0.168 63.002 63.100 0.117 0.000 0.776 55 P CB 1.743 33.516 31.700 0.122 0.000 0.888 56 A N 3.835 126.704 122.820 0.081 0.000 2.442 56 A HA 0.508 4.833 4.320 0.007 0.000 0.284 56 A C -1.492 176.132 177.584 0.067 0.000 1.058 56 A CA -0.568 51.513 52.037 0.074 0.000 0.738 56 A CB 0.894 19.931 19.000 0.062 0.000 1.242 56 A HN 0.473 nan 8.150 nan 0.000 0.421 57 L N 2.605 123.873 121.223 0.074 0.000 2.324 57 L HA 0.547 4.892 4.340 0.007 0.000 0.274 57 L C -0.672 176.239 176.870 0.068 0.000 1.012 57 L CA 0.181 55.061 54.840 0.067 0.000 0.859 57 L CB 0.225 42.327 42.059 0.071 0.000 1.224 57 L HN 0.743 nan 8.230 nan 0.000 0.429 58 D N 3.777 124.210 120.400 0.056 0.000 2.927 58 D HA -0.203 4.441 4.640 0.007 0.000 0.236 58 D C -0.268 176.064 176.300 0.053 0.000 1.163 58 D CA 0.852 54.882 54.000 0.050 0.000 0.801 58 D CB -0.356 40.474 40.800 0.051 0.000 0.975 58 D HN 0.674 nan 8.370 nan 0.000 0.413 59 E N -0.051 120.179 120.200 0.050 0.000 4.052 59 E HA 0.080 4.434 4.350 0.007 0.000 0.219 59 E C 1.320 177.942 176.600 0.037 0.000 1.166 59 E CA -0.224 56.205 56.400 0.048 0.000 1.338 59 E CB 0.438 30.173 29.700 0.059 0.000 1.212 59 E HN 0.462 nan 8.360 nan 0.000 0.432 60 E N -0.196 120.023 120.200 0.031 0.000 2.204 60 E HA -0.230 4.124 4.350 0.007 0.000 0.195 60 E C 0.597 177.209 176.600 0.020 0.000 0.990 60 E CA 1.110 57.524 56.400 0.023 0.000 0.821 60 E CB 0.139 29.851 29.700 0.021 0.000 0.750 60 E HN 0.190 nan 8.360 nan 0.000 0.477 61 D N 0.764 121.176 120.400 0.021 0.000 2.213 61 D HA -0.067 4.577 4.640 0.007 0.000 0.205 61 D C 1.917 178.227 176.300 0.015 0.000 0.961 61 D CA 1.991 56.001 54.000 0.016 0.000 0.853 61 D CB 0.235 41.045 40.800 0.016 0.000 0.967 61 D HN 0.453 nan 8.370 nan 0.000 0.496 62 T N -1.657 112.910 114.554 0.022 0.000 2.969 62 T HA 0.162 4.517 4.350 0.007 0.000 0.250 62 T C 2.083 176.796 174.700 0.021 0.000 1.021 62 T CA -0.277 61.837 62.100 0.022 0.000 1.003 62 T CB -0.066 68.822 68.868 0.034 0.000 1.040 62 T HN 0.002 nan 8.240 nan 0.000 0.492 63 I N 2.128 122.712 120.570 0.024 0.000 2.286 63 I HA 0.030 4.204 4.170 0.007 0.000 0.248 63 I C 2.545 178.669 176.117 0.012 0.000 1.115 63 I CA 1.405 62.720 61.300 0.024 0.000 1.392 63 I CB -0.460 37.557 38.000 0.029 0.000 1.065 63 I HN 0.400 nan 8.210 nan 0.000 0.418 64 G N -0.539 108.265 108.800 0.007 0.000 2.459 64 G HA2 -0.281 3.684 3.960 0.007 0.000 0.217 64 G HA3 -0.281 3.684 3.960 0.007 0.000 0.217 64 G C 1.687 176.581 174.900 -0.010 0.000 1.183 64 G CA 0.977 46.076 45.100 -0.002 0.000 0.776 64 G HN 0.422 nan 8.290 nan 0.000 0.552 65 S N -0.277 115.416 115.700 -0.011 0.000 2.383 65 S HA -0.105 4.369 4.470 0.007 0.000 0.229 65 S C 2.519 177.100 174.600 -0.032 0.000 1.030 65 S CA 1.141 59.326 58.200 -0.024 0.000 1.002 65 S CB -0.197 62.990 63.200 -0.022 0.000 0.829 65 S HN 0.193 nan 8.310 nan 0.000 0.467 66 V N 1.783 121.688 119.914 -0.015 0.000 2.307 66 V HA -0.151 3.973 4.120 0.007 0.000 0.245 66 V C 2.028 178.112 176.094 -0.015 0.000 1.045 66 V CA 1.562 63.855 62.300 -0.011 0.000 1.024 66 V CB -0.598 31.237 31.823 0.020 0.000 0.651 66 V HN 0.436 nan 8.190 nan 0.000 0.449 67 I N 0.204 120.768 120.570 -0.009 0.000 2.163 67 I HA -0.256 3.918 4.170 0.007 0.000 0.243 67 I C 2.294 178.395 176.117 -0.027 0.000 1.085 67 I CA 1.681 62.974 61.300 -0.013 0.000 1.347 67 I CB -0.569 37.427 38.000 -0.008 0.000 1.044 67 I HN 0.309 nan 8.210 nan 0.000 0.408 68 D N 0.491 120.872 120.400 -0.032 0.000 2.158 68 D HA -0.178 4.466 4.640 0.007 0.000 0.197 68 D C 2.365 178.630 176.300 -0.060 0.000 0.995 68 D CA 1.882 55.857 54.000 -0.042 0.000 0.846 68 D CB -0.269 40.506 40.800 -0.042 0.000 0.941 68 D HN 0.408 nan 8.370 nan 0.000 0.456 69 S N -0.419 115.237 115.700 -0.073 0.000 2.447 69 S HA -0.043 4.431 4.470 0.007 0.000 0.233 69 S C 1.948 176.497 174.600 -0.085 0.000 1.006 69 S CA 0.492 58.629 58.200 -0.105 0.000 0.957 69 S CB -0.180 62.934 63.200 -0.142 0.000 0.773 69 S HN 0.283 nan 8.310 nan 0.000 0.507 70 I N 0.062 120.599 120.570 -0.054 0.000 4.032 70 I HA 0.087 4.261 4.170 0.007 0.000 0.313 70 I C 2.408 178.502 176.117 -0.039 0.000 1.272 70 I CA 0.138 61.414 61.300 -0.039 0.000 1.307 70 I CB -0.324 37.665 38.000 -0.020 0.000 1.155 70 I HN 0.182 nan 8.210 nan 0.000 0.431 71 S N 1.974 117.652 115.700 -0.037 0.000 2.426 71 S HA -0.209 4.265 4.470 0.007 0.000 0.259 71 S C -0.534 174.045 174.600 -0.035 0.000 1.096 71 S CA 2.445 60.625 58.200 -0.034 0.000 1.219 71 S CB -1.269 61.911 63.200 -0.033 0.000 1.124 71 S HN 0.280 nan 8.310 nan 0.000 0.436 72 P HA 0.024 nan 4.420 nan 0.000 0.225 72 P C 0.966 178.245 177.300 -0.035 0.000 1.148 72 P CA 0.766 63.845 63.100 -0.036 0.000 0.779 72 P CB -0.101 31.575 31.700 -0.041 0.000 0.780 73 L N -2.061 119.139 121.223 -0.038 0.000 2.341 73 L HA 0.017 4.361 4.340 0.007 0.000 0.214 73 L C 0.797 177.645 176.870 -0.037 0.000 1.115 73 L CA 0.101 54.918 54.840 -0.038 0.000 0.820 73 L CB -0.606 41.428 42.059 -0.042 0.000 0.944 73 L HN -0.229 nan 8.230 nan 0.000 0.452 74 V N 1.480 121.374 119.914 -0.035 0.000 2.673 74 V HA -0.070 4.054 4.120 0.007 0.000 0.303 74 V C 0.587 176.663 176.094 -0.030 0.000 1.046 74 V CA 0.439 62.719 62.300 -0.033 0.000 1.126 74 V CB 0.606 32.411 31.823 -0.030 0.000 0.934 74 V HN 0.502 nan 8.190 nan 0.000 0.487 75 D N 2.374 122.756 120.400 -0.031 0.000 3.077 75 D HA -0.158 4.487 4.640 0.007 0.000 0.212 75 D C 0.711 176.994 176.300 -0.028 0.000 1.125 75 D CA 1.540 55.523 54.000 -0.028 0.000 0.970 75 D CB -1.239 39.547 40.800 -0.024 0.000 1.110 75 D HN 0.831 nan 8.370 nan 0.000 0.419 76 G N -0.350 108.431 108.800 -0.033 0.000 2.665 76 G HA2 0.320 4.284 3.960 0.007 0.000 0.204 76 G HA3 0.320 4.284 3.960 0.007 0.000 0.204 76 G C 0.973 175.847 174.900 -0.044 0.000 1.883 76 G CA 0.181 45.260 45.100 -0.034 0.000 0.734 76 G HN 0.162 nan 8.290 nan 0.000 0.811 77 L N 0.726 121.919 121.223 -0.050 0.000 2.056 77 L HA 0.259 4.603 4.340 0.007 0.000 0.207 77 L C 0.717 177.549 176.870 -0.063 0.000 1.078 77 L CA 1.188 55.989 54.840 -0.065 0.000 0.749 77 L CB -0.141 41.874 42.059 -0.074 0.000 0.901 77 L HN 0.051 nan 8.230 nan 0.000 0.433 78 V N 0.592 120.474 119.914 -0.054 0.000 2.394 78 V HA 0.137 4.261 4.120 0.007 0.000 0.282 78 V C 0.412 176.476 176.094 -0.049 0.000 1.031 78 V CA -0.271 61.996 62.300 -0.054 0.000 0.881 78 V CB 1.320 33.112 31.823 -0.051 0.000 0.982 78 V HN 0.226 nan 8.190 nan 0.000 0.451 79 D N 2.224 122.594 120.400 -0.051 0.000 2.240 79 D HA 0.042 4.687 4.640 0.007 0.000 0.206 79 D C 0.580 176.855 176.300 -0.043 0.000 0.963 79 D CA 0.719 54.692 54.000 -0.045 0.000 0.863 79 D CB 0.421 41.195 40.800 -0.045 0.000 0.973 79 D HN 0.842 nan 8.370 nan 0.000 0.501 80 E N -0.148 120.023 120.200 -0.048 0.000 2.366 80 E HA 0.452 4.807 4.350 0.007 0.000 0.278 80 E C -1.612 174.959 176.600 -0.048 0.000 0.923 80 E CA -1.060 55.313 56.400 -0.045 0.000 0.761 80 E CB 1.837 31.510 29.700 -0.044 0.000 1.231 80 E HN -0.109 nan 8.360 nan 0.000 0.443 81 L N 3.025 124.225 121.223 -0.038 0.000 2.377 81 L HA 0.551 4.895 4.340 0.007 0.000 0.270 81 L C -1.820 175.035 176.870 -0.024 0.000 0.991 81 L CA -0.498 54.322 54.840 -0.034 0.000 0.851 81 L CB 1.112 43.154 42.059 -0.027 0.000 1.218 81 L HN 0.704 nan 8.230 nan 0.000 0.420 82 I N 5.253 125.809 120.570 -0.023 0.000 2.404 82 I HA 0.425 4.599 4.170 0.007 0.000 0.293 82 I C -0.573 175.550 176.117 0.010 0.000 0.992 82 I CA -0.904 60.390 61.300 -0.010 0.000 1.149 82 I CB 2.121 40.112 38.000 -0.015 0.000 1.315 82 I HN 0.221 nan 8.210 nan 0.000 0.446 83 V N 6.901 126.825 119.914 0.016 0.000 2.364 83 V HA 0.208 4.332 4.120 0.007 0.000 0.272 83 V C 0.016 176.131 176.094 0.035 0.000 1.036 83 V CA -0.560 61.759 62.300 0.031 0.000 0.880 83 V CB 1.551 33.391 31.823 0.027 0.000 0.991 83 V HN 0.418 nan 8.190 nan 0.000 0.460 84 L N 5.249 126.504 121.223 0.054 0.000 2.302 84 L HA 0.378 4.722 4.340 0.007 0.000 0.285 84 L C 0.094 176.995 176.870 0.052 0.000 1.090 84 L CA 0.158 55.030 54.840 0.054 0.000 0.866 84 L CB 0.733 42.838 42.059 0.076 0.000 1.244 84 L HN 0.663 nan 8.230 nan 0.000 0.435 85 D N 2.405 122.828 120.400 0.039 0.000 2.338 85 D HA -0.041 4.604 4.640 0.007 0.000 0.255 85 D C 0.495 176.819 176.300 0.039 0.000 1.237 85 D CA 0.366 54.389 54.000 0.038 0.000 0.883 85 D CB 0.966 41.783 40.800 0.029 0.000 1.087 85 D HN 0.423 nan 8.370 nan 0.000 0.485 86 S N 2.640 118.366 115.700 0.045 0.000 2.582 86 S HA 0.390 4.865 4.470 0.007 0.000 0.249 86 S C 0.929 175.552 174.600 0.038 0.000 1.072 86 S CA 0.236 58.462 58.200 0.044 0.000 1.115 86 S CB -0.747 62.481 63.200 0.047 0.000 0.790 86 S HN 0.755 nan 8.310 nan 0.000 0.459 87 G N 0.717 109.538 108.800 0.035 0.000 2.145 87 G HA2 -0.183 3.781 3.960 0.007 0.000 0.176 87 G HA3 -0.183 3.781 3.960 0.007 0.000 0.176 87 G C -0.032 174.887 174.900 0.033 0.000 1.013 87 G CA -0.121 44.998 45.100 0.032 0.000 0.689 87 G HN 0.504 nan 8.290 nan 0.000 0.506 88 S N 0.302 116.022 115.700 0.034 0.000 2.549 88 S HA 0.463 4.937 4.470 0.007 0.000 0.283 88 S C 1.443 176.060 174.600 0.028 0.000 1.320 88 S CA 0.757 58.977 58.200 0.034 0.000 1.058 88 S CB 1.184 64.404 63.200 0.034 0.000 0.882 88 S HN 1.092 nan 8.310 nan 0.000 0.498 89 T N -1.759 112.812 114.554 0.028 0.000 3.091 89 T HA 0.170 4.524 4.350 0.007 0.000 0.277 89 T C 0.166 174.878 174.700 0.022 0.000 0.996 89 T CA -0.464 61.650 62.100 0.023 0.000 0.897 89 T CB -0.098 68.784 68.868 0.023 0.000 1.109 89 T HN 0.615 nan 8.240 nan 0.000 0.534 90 D N 1.139 121.553 120.400 0.024 0.000 2.466 90 D HA 0.233 4.877 4.640 0.007 0.000 0.271 90 D C -0.042 176.269 176.300 0.019 0.000 1.193 90 D CA -0.502 53.511 54.000 0.021 0.000 1.103 90 D CB -0.161 40.654 40.800 0.024 0.000 1.184 90 D HN -0.133 nan 8.370 nan 0.000 0.593 91 D N -1.360 119.051 120.400 0.018 0.000 2.427 91 D HA 0.149 4.793 4.640 0.007 0.000 0.224 91 D C 1.030 177.340 176.300 0.016 0.000 1.157 91 D CA 0.053 54.062 54.000 0.015 0.000 0.828 91 D CB 0.175 40.982 40.800 0.012 0.000 0.974 91 D HN 0.265 nan 8.370 nan 0.000 0.498 92 T N 0.366 114.932 114.554 0.021 0.000 2.635 92 T HA -0.261 4.093 4.350 0.007 0.000 0.267 92 T C 2.169 176.880 174.700 0.019 0.000 1.040 92 T CA 2.355 64.469 62.100 0.023 0.000 1.156 92 T CB -0.088 68.798 68.868 0.030 0.000 0.863 92 T HN 0.494 nan 8.240 nan 0.000 0.430 93 E N 1.586 121.797 120.200 0.018 0.000 2.031 93 E HA -0.130 4.225 4.350 0.007 0.000 0.193 93 E C 2.105 178.711 176.600 0.010 0.000 0.994 93 E CA 1.671 58.080 56.400 0.014 0.000 0.800 93 E CB -1.157 28.551 29.700 0.013 0.000 0.752 93 E HN 0.844 nan 8.360 nan 0.000 0.447 94 I N -1.783 118.793 120.570 0.009 0.000 2.286 94 I HA -0.132 4.042 4.170 0.007 0.000 0.248 94 I C 2.668 178.788 176.117 0.005 0.000 1.115 94 I CA 1.747 63.051 61.300 0.006 0.000 1.392 94 I CB -0.196 37.807 38.000 0.006 0.000 1.065 94 I HN 0.056 nan 8.210 nan 0.000 0.418 95 R N 1.331 121.836 120.500 0.007 0.000 2.148 95 R HA 0.086 4.430 4.340 0.007 0.000 0.223 95 R C 2.515 178.818 176.300 0.005 0.000 1.088 95 R CA 1.176 57.280 56.100 0.006 0.000 0.985 95 R CB -0.346 29.959 30.300 0.008 0.000 0.880 95 R HN 0.546 nan 8.270 nan 0.000 0.451 96 A N 0.511 123.336 122.820 0.008 0.000 1.929 96 A HA -0.058 4.266 4.320 0.007 0.000 0.216 96 A C 2.241 179.826 177.584 0.002 0.000 1.176 96 A CA 0.942 52.983 52.037 0.007 0.000 0.628 96 A CB -0.252 18.756 19.000 0.012 0.000 0.816 96 A HN 0.087 nan 8.150 nan 0.000 0.444 97 V N -0.113 119.802 119.914 0.002 0.000 2.358 97 V HA -0.212 3.912 4.120 0.007 0.000 0.246 97 V C 3.020 179.112 176.094 -0.003 0.000 1.047 97 V CA 1.825 64.124 62.300 -0.001 0.000 1.035 97 V CB -1.093 30.730 31.823 -0.000 0.000 0.658 97 V HN 0.583 nan 8.190 nan 0.000 0.452 98 A N -0.145 122.674 122.820 -0.002 0.000 2.019 98 A HA -0.018 4.306 4.320 0.007 0.000 0.219 98 A C 2.236 179.817 177.584 -0.006 0.000 1.164 98 A CA 1.754 53.789 52.037 -0.004 0.000 0.644 98 A CB -0.500 18.499 19.000 -0.003 0.000 0.805 98 A HN 0.577 nan 8.150 nan 0.000 0.449 99 A N -1.810 121.007 122.820 -0.006 0.000 2.208 99 A HA 0.420 4.745 4.320 0.007 0.000 0.209 99 A C 1.615 179.192 177.584 -0.011 0.000 1.161 99 A CA 1.151 53.182 52.037 -0.009 0.000 0.782 99 A CB -0.710 18.285 19.000 -0.007 0.000 0.816 99 A HN 1.878 nan 8.150 nan 0.000 0.477 100 G N -1.974 106.821 108.800 -0.009 0.000 2.207 100 G HA2 0.242 4.207 3.960 0.007 0.000 0.216 100 G HA3 0.242 4.207 3.960 0.007 0.000 0.216 100 G C 0.071 174.964 174.900 -0.012 0.000 1.053 100 G CA 0.149 45.242 45.100 -0.011 0.000 0.764 100 G HN 1.517 nan 8.290 nan 0.000 0.495 101 A N -0.324 122.491 122.820 -0.008 0.000 2.340 101 A HA 0.898 5.222 4.320 0.007 0.000 0.331 101 A C 0.358 177.938 177.584 -0.006 0.000 1.140 101 A CA -0.314 51.719 52.037 -0.007 0.000 0.801 101 A CB 0.962 19.960 19.000 -0.003 0.000 1.234 101 A HN 0.900 nan 8.150 nan 0.000 0.469 102 R N 1.872 122.367 120.500 -0.009 0.000 2.248 102 R HA 0.457 4.801 4.340 0.007 0.000 0.328 102 R C -1.304 174.994 176.300 -0.003 0.000 1.067 102 R CA -0.162 55.933 56.100 -0.008 0.000 0.924 102 R CB 0.275 30.567 30.300 -0.013 0.000 1.013 102 R HN 0.438 nan 8.270 nan 0.000 0.454 103 V N 6.017 125.931 119.914 -0.000 0.000 2.406 103 V HA 0.258 4.382 4.120 0.007 0.000 0.272 103 V C -0.236 175.860 176.094 0.003 0.000 1.043 103 V CA -0.549 61.755 62.300 0.005 0.000 0.915 103 V CB 1.482 33.309 31.823 0.008 0.000 0.988 103 V HN 0.513 nan 8.190 nan 0.000 0.466 104 V N 4.645 124.562 119.914 0.005 0.000 2.444 104 V HA 0.439 4.563 4.120 0.007 0.000 0.294 104 V C 0.377 176.476 176.094 0.008 0.000 1.022 104 V CA -0.477 61.823 62.300 0.001 0.000 0.850 104 V CB 2.005 33.824 31.823 -0.007 0.000 0.992 104 V HN 1.001 nan 8.190 nan 0.000 0.426 105 S N 5.023 120.728 115.700 0.007 0.000 2.624 105 S HA 0.328 4.802 4.470 0.007 0.000 0.263 105 S C 1.076 175.684 174.600 0.013 0.000 1.287 105 S CA -0.391 57.817 58.200 0.014 0.000 0.990 105 S CB 0.896 64.104 63.200 0.013 0.000 0.950 105 S HN 0.642 nan 8.310 nan 0.000 0.561 106 R N 0.552 121.065 120.500 0.022 0.000 2.127 106 R HA -0.099 4.246 4.340 0.007 0.000 0.238 106 R C 2.080 178.390 176.300 0.017 0.000 1.134 106 R CA 1.855 57.971 56.100 0.026 0.000 0.975 106 R CB -0.421 29.905 30.300 0.043 0.000 0.865 106 R HN 0.714 nan 8.270 nan 0.000 0.447 107 E N 0.694 120.903 120.200 0.015 0.000 2.047 107 E HA -0.179 4.175 4.350 0.007 0.000 0.191 107 E C 2.022 178.620 176.600 -0.002 0.000 0.987 107 E CA 1.263 57.669 56.400 0.010 0.000 0.799 107 E CB -0.062 29.644 29.700 0.011 0.000 0.752 107 E HN 0.343 nan 8.360 nan 0.000 0.449 108 Q N 0.053 119.850 119.800 -0.005 0.000 2.124 108 Q HA -0.085 4.259 4.340 0.007 0.000 0.202 108 Q C 2.228 178.211 176.000 -0.028 0.000 0.977 108 Q CA 1.289 57.084 55.803 -0.014 0.000 0.850 108 Q CB -0.239 28.493 28.738 -0.011 0.000 0.901 108 Q HN 0.300 nan 8.270 nan 0.000 0.429 109 A N 0.440 123.240 122.820 -0.032 0.000 1.908 109 A HA -0.101 4.223 4.320 0.007 0.000 0.218 109 A C 1.179 178.709 177.584 -0.090 0.000 1.181 109 A CA 1.091 53.091 52.037 -0.061 0.000 0.627 109 A CB 0.071 19.035 19.000 -0.059 0.000 0.818 109 A HN 0.310 nan 8.150 nan 0.000 0.445 110 L N -1.359 119.821 121.223 -0.071 0.000 2.392 110 L HA 0.377 4.722 4.340 0.007 0.000 0.262 110 L C -2.526 174.326 176.870 -0.030 0.000 1.498 110 L CA -0.962 53.828 54.840 -0.084 0.000 0.820 110 L CB 1.514 43.479 42.059 -0.156 0.000 0.990 110 L HN -0.077 nan 8.230 nan 0.000 0.520 111 P HA -0.115 nan 4.420 nan 0.000 0.222 111 P C 0.752 178.056 177.300 0.006 0.000 1.147 111 P CA 1.053 64.150 63.100 -0.004 0.000 0.790 111 P CB 0.210 31.905 31.700 -0.009 0.000 0.780 112 E N -0.871 119.332 120.200 0.004 0.000 2.489 112 E HA 0.064 4.418 4.350 0.007 0.000 0.193 112 E C -0.054 176.568 176.600 0.037 0.000 1.057 112 E CA 0.294 56.703 56.400 0.015 0.000 0.866 112 E CB -0.030 29.674 29.700 0.007 0.000 0.916 112 E HN 0.072 nan 8.360 nan 0.000 0.500 113 V N 2.706 122.652 119.914 0.054 0.000 2.483 113 V HA 0.285 4.409 4.120 0.007 0.000 0.297 113 V C -2.399 173.747 176.094 0.086 0.000 1.027 113 V CA -2.109 60.248 62.300 0.094 0.000 0.855 113 V CB 1.837 33.770 31.823 0.184 0.000 0.995 113 V HN -0.028 nan 8.190 nan 0.000 0.424 114 P HA 0.185 nan 4.420 nan 0.000 0.265 114 P C -0.348 176.992 177.300 0.067 0.000 1.187 114 P CA 0.071 63.203 63.100 0.054 0.000 0.766 114 P CB 0.496 32.218 31.700 0.038 0.000 0.820 115 I N 3.179 123.782 120.570 0.055 0.000 2.474 115 I HA 0.168 4.343 4.170 0.007 0.000 0.287 115 I C 1.139 177.280 176.117 0.041 0.000 1.048 115 I CA 0.138 61.473 61.300 0.059 0.000 1.383 115 I CB 0.473 38.502 38.000 0.049 0.000 1.412 115 I HN 0.177 nan 8.210 nan 0.000 0.531 116 R N 6.809 127.332 120.500 0.038 0.000 2.664 116 R HA 0.507 4.851 4.340 0.007 0.000 0.286 116 R C -2.412 173.896 176.300 0.014 0.000 0.967 116 R CA -1.738 54.371 56.100 0.014 0.000 0.933 116 R CB 1.035 31.329 30.300 -0.010 0.000 1.146 116 R HN 0.342 nan 8.270 nan 0.000 0.468 117 P HA 0.214 nan 4.420 nan 0.000 0.272 117 P C -0.103 177.178 177.300 -0.032 0.000 1.230 117 P CA 0.082 63.180 63.100 -0.003 0.000 0.788 117 P CB 0.864 32.565 31.700 0.002 0.000 0.949 118 G N 0.427 109.194 108.800 -0.056 0.000 2.459 118 G HA2 -0.132 3.832 3.960 0.007 0.000 0.685 118 G HA3 -0.132 3.832 3.960 0.007 0.000 0.685 118 G C 0.385 175.220 174.900 -0.108 0.000 1.303 118 G CA -0.115 44.901 45.100 -0.139 0.000 0.907 118 G HN 0.560 nan 8.290 nan 0.000 0.632 119 K N -0.088 120.197 120.400 -0.192 0.000 2.026 119 K HA -0.077 4.248 4.320 0.007 0.000 0.208 119 K C 2.751 179.360 176.600 0.016 0.000 1.048 119 K CA 2.404 58.646 56.287 -0.075 0.000 0.929 119 K CB -0.803 31.646 32.500 -0.084 0.000 0.713 119 K HN 0.900 nan 8.250 nan 0.000 0.439 120 G N 1.302 110.108 108.800 0.010 0.000 2.574 120 G HA2 -0.380 3.584 3.960 0.007 0.000 0.220 120 G HA3 -0.380 3.584 3.960 0.007 0.000 0.220 120 G C 1.339 176.360 174.900 0.202 0.000 1.173 120 G CA 1.550 46.723 45.100 0.123 0.000 0.772 120 G HN 0.481 nan 8.290 nan 0.000 0.585 121 E N 0.829 121.097 120.200 0.113 0.000 2.070 121 E HA -0.097 4.257 4.350 0.007 0.000 0.197 121 E C 2.713 179.435 176.600 0.203 0.000 1.004 121 E CA 1.822 58.319 56.400 0.161 0.000 0.805 121 E CB -0.612 29.142 29.700 0.090 0.000 0.744 121 E HN 0.364 nan 8.360 nan 0.000 0.451 122 A N -0.118 122.780 122.820 0.131 0.000 1.877 122 A HA -0.133 4.191 4.320 0.007 0.000 0.216 122 A C 2.104 179.763 177.584 0.124 0.000 1.186 122 A CA 1.454 53.557 52.037 0.110 0.000 0.620 122 A CB -0.673 18.376 19.000 0.082 0.000 0.822 122 A HN 0.323 nan 8.150 nan 0.000 0.443 123 L N -2.258 119.053 121.223 0.147 0.000 2.093 123 L HA -0.110 4.234 4.340 0.007 0.000 0.208 123 L C 2.151 179.070 176.870 0.081 0.000 1.085 123 L CA 1.408 56.335 54.840 0.144 0.000 0.755 123 L CB -1.159 40.946 42.059 0.076 0.000 0.904 123 L HN 0.743 nan 8.230 nan 0.000 0.435 124 W N 0.867 122.028 121.300 -0.233 0.000 2.354 124 W HA -0.196 4.468 4.660 0.007 0.000 0.315 124 W C 2.735 179.070 176.519 -0.306 0.000 1.206 124 W CA 1.629 58.591 57.345 -0.638 0.000 1.290 124 W CB -0.216 28.976 29.460 -0.448 0.000 1.152 124 W HN -0.001 nan 8.180 nan 0.000 0.489 125 R N 0.210 120.634 120.500 -0.128 0.000 2.127 125 R HA -0.176 4.168 4.340 0.007 0.000 0.238 125 R C 2.469 178.650 176.300 -0.199 0.000 1.134 125 R CA 1.869 57.825 56.100 -0.240 0.000 0.975 125 R CB -0.985 29.290 30.300 -0.041 0.000 0.865 125 R HN 0.334 nan 8.270 nan 0.000 0.447 126 S N 0.898 116.553 115.700 -0.075 0.000 2.447 126 S HA -0.045 4.429 4.470 0.007 0.000 0.233 126 S C 1.984 176.553 174.600 -0.052 0.000 1.006 126 S CA 0.674 58.871 58.200 -0.006 0.000 0.957 126 S CB -0.290 62.998 63.200 0.147 0.000 0.773 126 S HN 0.246 nan 8.310 nan 0.000 0.507 127 L N 0.847 121.987 121.223 -0.139 0.000 2.141 127 L HA 0.009 4.353 4.340 0.007 0.000 0.209 127 L C 3.132 179.881 176.870 -0.201 0.000 1.094 127 L CA 1.226 55.967 54.840 -0.166 0.000 0.763 127 L CB -0.797 41.099 42.059 -0.272 0.000 0.908 127 L HN 0.497 nan 8.230 nan 0.000 0.437 128 A N -0.198 122.456 122.820 -0.276 0.000 1.970 128 A HA 0.089 4.413 4.320 0.007 0.000 0.216 128 A C 2.418 179.915 177.584 -0.146 0.000 1.170 128 A CA 1.245 53.142 52.037 -0.234 0.000 0.645 128 A CB -0.349 18.469 19.000 -0.303 0.000 0.816 128 A HN 0.355 nan 8.150 nan 0.000 0.447 129 A N -0.039 122.708 122.820 -0.121 0.000 2.081 129 A HA 0.307 4.631 4.320 0.007 0.000 0.214 129 A C 1.533 179.078 177.584 -0.065 0.000 1.158 129 A CA 0.963 52.953 52.037 -0.079 0.000 0.724 129 A CB -0.457 18.508 19.000 -0.058 0.000 0.826 129 A HN 0.704 nan 8.150 nan 0.000 0.463 130 S N -0.840 114.818 115.700 -0.069 0.000 2.713 130 S HA 0.575 5.050 4.470 0.007 0.000 0.283 130 S C 0.534 175.096 174.600 -0.064 0.000 1.161 130 S CA -0.248 57.914 58.200 -0.064 0.000 0.999 130 S CB 1.240 64.397 63.200 -0.071 0.000 1.039 130 S HN 0.515 nan 8.310 nan 0.000 0.548 131 R N -0.104 120.362 120.500 -0.058 0.000 2.513 131 R HA 0.323 4.667 4.340 0.007 0.000 0.245 131 R C 0.934 177.207 176.300 -0.046 0.000 0.908 131 R CA -0.086 55.984 56.100 -0.049 0.000 1.023 131 R CB -0.566 29.708 30.300 -0.043 0.000 1.338 131 R HN 0.632 nan 8.270 nan 0.000 0.575 132 G N 1.471 110.238 108.800 -0.054 0.000 2.414 132 G HA2 -0.033 3.931 3.960 0.007 0.000 0.236 132 G HA3 -0.033 3.931 3.960 0.007 0.000 0.236 132 G C -0.006 174.870 174.900 -0.040 0.000 1.293 132 G CA -0.222 44.846 45.100 -0.053 0.000 0.869 132 G HN 0.092 nan 8.290 nan 0.000 0.556 133 D N 0.910 121.292 120.400 -0.030 0.000 2.218 133 D HA -0.089 4.555 4.640 0.007 0.000 0.204 133 D C 0.917 177.213 176.300 -0.007 0.000 0.976 133 D CA 1.228 55.221 54.000 -0.012 0.000 0.853 133 D CB 0.368 41.161 40.800 -0.012 0.000 0.939 133 D HN 0.295 nan 8.370 nan 0.000 0.481 134 I N 0.674 121.225 120.570 -0.031 0.000 2.498 134 I HA 0.159 4.333 4.170 0.007 0.000 0.290 134 I C -0.709 175.354 176.117 -0.090 0.000 1.032 134 I CA -0.712 60.566 61.300 -0.038 0.000 1.073 134 I CB 2.876 40.851 38.000 -0.042 0.000 1.251 134 I HN -0.397 nan 8.210 nan 0.000 0.426 135 V N 6.757 126.596 119.914 -0.125 0.000 2.495 135 V HA 0.465 4.589 4.120 0.007 0.000 0.298 135 V C -0.247 175.589 176.094 -0.431 0.000 1.031 135 V CA -0.741 61.375 62.300 -0.308 0.000 0.871 135 V CB 1.936 33.531 31.823 -0.380 0.000 0.988 135 V HN 0.377 nan 8.190 nan 0.000 0.432 136 V N 4.821 124.453 119.914 -0.471 0.000 2.417 136 V HA 0.544 4.669 4.120 0.007 0.000 0.291 136 V C -0.698 175.053 176.094 -0.573 0.000 1.024 136 V CA -0.514 61.554 62.300 -0.388 0.000 0.861 136 V CB 1.357 33.082 31.823 -0.163 0.000 0.985 136 V HN 0.643 nan 8.190 nan 0.000 0.436 137 F N 3.333 123.127 119.950 -0.260 0.000 2.436 137 F HA 0.744 5.275 4.527 0.007 0.000 0.340 137 F C 0.050 175.734 175.800 -0.192 0.000 1.113 137 F CA -0.817 57.009 58.000 -0.291 0.000 1.022 137 F CB 1.941 40.596 39.000 -0.575 0.000 1.128 137 F HN 0.172 nan 8.300 nan 0.000 0.466 138 V N 2.664 122.646 119.914 0.114 0.000 2.623 138 V HA 0.250 4.374 4.120 0.007 0.000 0.304 138 V C -0.786 175.385 176.094 0.129 0.000 1.054 138 V CA -1.100 61.272 62.300 0.121 0.000 0.882 138 V CB 1.892 33.792 31.823 0.128 0.000 1.002 138 V HN 0.545 nan 8.190 nan 0.000 0.424 139 D N 2.344 122.820 120.400 0.126 0.000 2.443 139 D HA 0.118 4.762 4.640 0.007 0.000 0.239 139 D C 1.170 177.537 176.300 0.112 0.000 1.136 139 D CA 0.361 54.432 54.000 0.119 0.000 0.879 139 D CB 1.541 42.403 40.800 0.103 0.000 1.195 139 D HN 0.725 nan 8.370 nan 0.000 0.443 140 S N 0.180 115.943 115.700 0.104 0.000 2.575 140 S HA -0.073 4.401 4.470 0.007 0.000 0.215 140 S C 0.754 175.404 174.600 0.084 0.000 0.966 140 S CA -0.288 57.964 58.200 0.085 0.000 0.911 140 S CB 0.097 63.343 63.200 0.076 0.000 0.780 140 S HN 0.509 nan 8.310 nan 0.000 0.514 141 D N 1.206 121.669 120.400 0.105 0.000 2.363 141 D HA 0.124 4.768 4.640 0.007 0.000 0.214 141 D C 0.359 176.732 176.300 0.122 0.000 1.093 141 D CA -0.407 53.658 54.000 0.108 0.000 0.837 141 D CB -0.326 40.553 40.800 0.131 0.000 0.948 141 D HN 0.368 nan 8.370 nan 0.000 0.507 142 L N 0.900 122.194 121.223 0.117 0.000 2.453 142 L HA 0.205 4.550 4.340 0.007 0.000 0.272 142 L C 0.595 177.510 176.870 0.074 0.000 1.182 142 L CA -0.188 54.725 54.840 0.121 0.000 0.858 142 L CB 0.822 42.955 42.059 0.124 0.000 1.120 142 L HN -0.138 nan 8.230 nan 0.000 0.474 143 I N 3.480 124.093 120.570 0.071 0.000 2.304 143 I HA 0.099 4.274 4.170 0.007 0.000 0.291 143 I C 0.266 176.387 176.117 0.006 0.000 1.018 143 I CA -0.186 61.134 61.300 0.034 0.000 1.260 143 I CB 0.319 38.339 38.000 0.033 0.000 1.390 143 I HN 0.682 nan 8.210 nan 0.000 0.475 144 N N 5.391 124.075 118.700 -0.025 0.000 2.669 144 N HA -0.138 4.606 4.740 0.007 0.000 0.266 144 N C -2.366 173.062 175.510 -0.136 0.000 1.024 144 N CA -0.414 52.594 53.050 -0.070 0.000 0.766 144 N CB -0.888 37.566 38.487 -0.054 0.000 0.898 144 N HN 0.442 nan 8.380 nan 0.000 0.548 145 P HA -0.096 nan 4.420 nan 0.000 0.268 145 P C -0.270 176.652 177.300 -0.631 0.000 1.205 145 P CA 0.391 63.200 63.100 -0.485 0.000 0.771 145 P CB 0.508 31.996 31.700 -0.353 0.000 0.858 146 H N 5.566 123.983 119.070 -1.089 0.000 2.964 146 H HA 0.019 4.579 4.556 0.006 0.000 0.328 146 H C -1.142 173.856 175.328 -0.549 0.000 1.030 146 H CA -1.153 54.525 56.048 -0.616 0.000 1.445 146 H CB 0.721 30.327 29.762 -0.261 0.000 1.449 146 H HN 0.265 nan 8.280 nan 0.000 0.581 147 P HA -0.153 nan 4.420 nan 0.000 0.222 147 P C 1.171 178.398 177.300 -0.121 0.000 1.142 147 P CA 0.982 63.958 63.100 -0.207 0.000 0.788 147 P CB 0.267 31.826 31.700 -0.234 0.000 0.767 148 M N -2.586 116.967 119.600 -0.077 0.000 2.494 148 M HA 0.086 4.570 4.480 0.007 0.000 0.232 148 M C 1.301 177.331 176.300 -0.450 0.000 1.137 148 M CA -0.052 54.900 55.300 -0.580 0.000 1.012 148 M CB -1.048 30.683 32.600 -1.449 0.000 1.567 148 M HN -0.161 nan 8.290 nan 0.000 0.486 149 F N 0.619 120.467 119.950 -0.169 0.000 2.069 149 F HA -0.194 4.336 4.527 0.006 0.000 0.298 149 F C 2.484 178.342 175.800 0.098 0.000 1.113 149 F CA 1.295 59.359 58.000 0.107 0.000 1.214 149 F CB -1.348 37.728 39.000 0.126 0.000 0.978 149 F HN -0.070 nan 8.300 nan 0.000 0.474 150 V N 1.374 121.415 119.914 0.212 0.000 2.261 150 V HA -0.214 3.910 4.120 0.007 0.000 0.246 150 V C -0.263 175.877 176.094 0.078 0.000 1.047 150 V CA 2.281 64.645 62.300 0.107 0.000 1.015 150 V CB -1.947 29.900 31.823 0.040 0.000 0.642 150 V HN 0.149 nan 8.190 nan 0.000 0.446 151 P HA -0.169 nan 4.420 nan 0.000 0.216 151 P C 1.478 178.939 177.300 0.269 0.000 1.150 151 P CA 1.677 64.796 63.100 0.032 0.000 0.837 151 P CB -0.187 31.519 31.700 0.010 0.000 0.786 152 W N -0.129 121.347 121.300 0.294 0.000 2.402 152 W HA 0.023 4.687 4.660 0.006 0.000 0.286 152 W C 2.354 178.976 176.519 0.171 0.000 1.221 152 W CA 0.527 58.045 57.345 0.288 0.000 1.257 152 W CB -1.467 28.092 29.460 0.166 0.000 1.120 152 W HN -0.040 nan 8.180 nan 0.000 0.551 153 L N -0.023 121.395 121.223 0.325 0.000 2.131 153 L HA -0.148 4.196 4.340 0.007 0.000 0.206 153 L C 2.320 179.270 176.870 0.134 0.000 1.087 153 L CA 1.126 56.082 54.840 0.193 0.000 0.767 153 L CB -0.951 41.192 42.059 0.140 0.000 0.917 153 L HN -0.179 nan 8.230 nan 0.000 0.441 154 V N -3.811 116.156 119.914 0.088 0.000 2.951 154 V HA 0.158 4.282 4.120 0.007 0.000 0.255 154 V C 2.316 178.397 176.094 -0.021 0.000 1.088 154 V CA 0.926 63.231 62.300 0.008 0.000 1.109 154 V CB -1.281 30.510 31.823 -0.053 0.000 0.724 154 V HN 0.329 nan 8.190 nan 0.000 0.471 155 G N 1.827 110.641 108.800 0.023 0.000 2.681 155 G HA2 -0.260 3.704 3.960 0.007 0.000 0.220 155 G HA3 -0.260 3.704 3.960 0.007 0.000 0.220 155 G C -0.019 174.921 174.900 0.066 0.000 1.210 155 G CA 1.769 46.887 45.100 0.031 0.000 0.783 155 G HN 0.620 nan 8.290 nan 0.000 0.609 156 P HA 0.058 nan 4.420 nan 0.000 0.223 156 P C 1.904 179.210 177.300 0.010 0.000 1.151 156 P CA 0.574 63.718 63.100 0.075 0.000 0.787 156 P CB -0.055 31.691 31.700 0.075 0.000 0.788 157 L N -1.658 119.559 121.223 -0.010 0.000 2.131 157 L HA -0.038 4.306 4.340 0.007 0.000 0.206 157 L C 2.210 179.039 176.870 -0.068 0.000 1.087 157 L CA 1.048 55.858 54.840 -0.051 0.000 0.767 157 L CB -0.756 41.281 42.059 -0.038 0.000 0.917 157 L HN -0.068 nan 8.230 nan 0.000 0.441 158 L N -1.152 120.025 121.223 -0.077 0.000 2.418 158 L HA -0.052 4.293 4.340 0.007 0.000 0.218 158 L C 2.372 179.195 176.870 -0.079 0.000 1.125 158 L CA 0.606 55.386 54.840 -0.099 0.000 0.835 158 L CB -0.542 41.421 42.059 -0.160 0.000 0.953 158 L HN 0.193 nan 8.230 nan 0.000 0.454 159 T N -0.582 113.944 114.554 -0.047 0.000 2.770 159 T HA 0.124 4.479 4.350 0.007 0.000 0.258 159 T C 0.931 175.626 174.700 -0.008 0.000 1.039 159 T CA 1.065 63.162 62.100 -0.005 0.000 1.143 159 T CB -0.114 68.788 68.868 0.057 0.000 0.866 159 T HN 0.485 nan 8.240 nan 0.000 0.428 160 G N 2.267 111.053 108.800 -0.022 0.000 3.055 160 G HA2 -0.073 3.891 3.960 0.007 0.000 0.654 160 G HA3 -0.073 3.891 3.960 0.007 0.000 0.654 160 G C -0.600 174.285 174.900 -0.024 0.000 1.134 160 G CA -0.299 44.777 45.100 -0.039 0.000 1.049 160 G HN 0.396 nan 8.290 nan 0.000 0.458 161 D N 0.940 121.319 120.400 -0.035 0.000 2.599 161 D HA 0.363 5.008 4.640 0.007 0.000 0.249 161 D C 1.608 177.891 176.300 -0.028 0.000 1.313 161 D CA 0.590 54.578 54.000 -0.020 0.000 0.815 161 D CB 0.443 41.238 40.800 -0.009 0.000 1.077 161 D HN 1.882 nan 8.370 nan 0.000 0.492 162 G N 1.096 109.862 108.800 -0.057 0.000 2.198 162 G HA2 -0.275 3.689 3.960 0.007 0.000 0.257 162 G HA3 -0.275 3.689 3.960 0.007 0.000 0.257 162 G C 0.281 175.132 174.900 -0.082 0.000 1.042 162 G CA -0.000 45.067 45.100 -0.054 0.000 0.791 162 G HN 0.288 nan 8.290 nan 0.000 0.502 163 V N 0.940 120.762 119.914 -0.154 0.000 2.461 163 V HA 0.397 4.521 4.120 0.007 0.000 0.275 163 V C 1.174 177.113 176.094 -0.258 0.000 1.047 163 V CA -0.286 61.946 62.300 -0.115 0.000 0.955 163 V CB 1.325 33.111 31.823 -0.061 0.000 0.988 163 V HN 0.435 nan 8.190 nan 0.000 0.471 164 H N 3.688 122.773 119.070 0.026 0.000 3.058 164 H HA 0.345 4.906 4.556 0.007 0.000 0.258 164 H C -0.294 175.075 175.328 0.068 0.000 1.015 164 H CA 0.025 56.098 56.048 0.042 0.000 1.210 164 H CB 1.664 31.448 29.762 0.037 0.000 1.481 164 H HN 0.404 nan 8.280 nan 0.000 0.492 165 L N 1.567 122.883 121.223 0.156 0.000 2.438 165 L HA 0.415 4.759 4.340 0.007 0.000 0.270 165 L C -1.383 175.553 176.870 0.111 0.000 0.972 165 L CA -0.738 54.190 54.840 0.147 0.000 0.831 165 L CB 1.940 44.073 42.059 0.123 0.000 1.273 165 L HN -0.265 nan 8.230 nan 0.000 0.405 166 V N 5.221 125.223 119.914 0.146 0.000 2.357 166 V HA 0.568 4.693 4.120 0.007 0.000 0.284 166 V C -0.171 176.029 176.094 0.177 0.000 1.018 166 V CA -0.768 61.611 62.300 0.130 0.000 0.841 166 V CB 1.225 33.123 31.823 0.125 0.000 0.991 166 V HN 0.588 nan 8.190 nan 0.000 0.437 167 K N 2.862 123.337 120.400 0.125 0.000 2.138 167 K HA 0.553 4.877 4.320 0.007 0.000 0.263 167 K C 0.230 176.927 176.600 0.162 0.000 0.965 167 K CA -0.210 56.156 56.287 0.133 0.000 0.868 167 K CB 2.111 34.638 32.500 0.045 0.000 1.083 167 K HN 0.787 nan 8.250 nan 0.000 0.443 168 S N 1.837 117.647 115.700 0.183 0.000 2.616 168 S HA 0.698 5.173 4.470 0.007 0.000 0.277 168 S C -0.100 174.609 174.600 0.180 0.000 1.234 168 S CA -0.734 57.553 58.200 0.146 0.000 1.028 168 S CB 0.294 63.572 63.200 0.130 0.000 0.988 168 S HN 0.439 nan 8.310 nan 0.000 0.522 169 F N -0.705 119.226 119.950 -0.031 0.000 2.593 169 F HA 0.908 5.439 4.527 0.006 0.000 0.320 169 F C -0.959 174.768 175.800 -0.122 0.000 1.060 169 F CA -1.628 56.223 58.000 -0.249 0.000 0.940 169 F CB 0.794 39.698 39.000 -0.160 0.000 1.268 169 F HN 0.783 nan 8.300 nan 0.000 0.475 170 Y N -0.889 119.479 120.300 0.113 0.000 2.689 170 Y HA 0.745 5.299 4.550 0.006 0.000 0.333 170 Y C -1.293 174.672 175.900 0.108 0.000 1.208 170 Y CA -1.697 56.415 58.100 0.020 0.000 1.055 170 Y CB 1.037 39.498 38.460 0.002 0.000 1.304 170 Y HN 0.863 nan 8.280 nan 0.000 0.455 171 R N 0.833 121.519 120.500 0.309 0.000 2.589 171 R HA 0.813 5.157 4.340 0.007 0.000 0.293 171 R C -0.456 175.998 176.300 0.255 0.000 0.963 171 R CA -0.419 55.817 56.100 0.226 0.000 0.905 171 R CB 1.276 31.664 30.300 0.147 0.000 1.144 171 R HN 1.091 nan 8.270 nan 0.000 0.459 172 R N 4.216 124.843 120.500 0.212 0.000 2.401 172 R HA 0.290 4.634 4.340 0.007 0.000 0.299 172 R C -1.973 174.406 176.300 0.131 0.000 1.064 172 R CA -1.250 54.959 56.100 0.181 0.000 1.000 172 R CB -1.187 29.205 30.300 0.153 0.000 0.973 172 R HN 0.682 nan 8.270 nan 0.000 0.438 190 R N 0.435 120.945 120.500 0.018 0.000 2.091 190 R HA -0.073 4.272 4.340 0.007 0.000 0.238 190 R C 2.508 178.800 176.300 -0.013 0.000 1.136 190 R CA 1.837 57.937 56.100 0.001 0.000 0.959 190 R CB -0.286 30.011 30.300 -0.004 0.000 0.856 190 R HN 0.386 nan 8.270 nan 0.000 0.437 191 V N 0.138 120.037 119.914 -0.024 0.000 2.358 191 V HA -0.227 3.897 4.120 0.007 0.000 0.246 191 V C 2.084 178.159 176.094 -0.031 0.000 1.047 191 V CA 2.171 64.447 62.300 -0.040 0.000 1.035 191 V CB -0.573 31.210 31.823 -0.067 0.000 0.658 191 V HN 0.395 nan 8.190 nan 0.000 0.452 192 T N -0.247 114.296 114.554 -0.019 0.000 2.652 192 T HA -0.178 4.176 4.350 0.007 0.000 0.267 192 T C 1.893 176.579 174.700 -0.024 0.000 1.039 192 T CA 1.608 63.696 62.100 -0.020 0.000 1.153 192 T CB -0.237 68.628 68.868 -0.004 0.000 0.863 192 T HN 0.457 nan 8.240 nan 0.000 0.428 193 E N 0.751 120.942 120.200 -0.015 0.000 2.152 193 E HA 0.079 4.433 4.350 0.007 0.000 0.192 193 E C 2.155 178.744 176.600 -0.019 0.000 0.983 193 E CA 0.674 57.064 56.400 -0.017 0.000 0.818 193 E CB -0.094 29.602 29.700 -0.007 0.000 0.758 193 E HN 0.475 nan 8.360 nan 0.000 0.467 194 L N -0.483 120.729 121.223 -0.019 0.000 2.470 194 L HA 0.084 4.428 4.340 0.007 0.000 0.219 194 L C 1.963 178.818 176.870 -0.024 0.000 1.071 194 L CA 0.177 55.006 54.840 -0.019 0.000 0.850 194 L CB 0.320 42.370 42.059 -0.014 0.000 1.040 194 L HN -0.079 nan 8.230 nan 0.000 0.475 195 V N -0.568 119.329 119.914 -0.029 0.000 2.939 195 V HA 0.200 4.324 4.120 0.007 0.000 0.228 195 V C 2.428 178.499 176.094 -0.039 0.000 1.162 195 V CA 1.101 63.381 62.300 -0.033 0.000 1.222 195 V CB -0.235 31.566 31.823 -0.037 0.000 1.053 195 V HN 0.221 nan 8.190 nan 0.000 0.504 196 A N 0.512 123.307 122.820 -0.042 0.000 1.858 196 A HA -0.204 4.120 4.320 0.007 0.000 0.216 196 A C 2.293 179.843 177.584 -0.058 0.000 1.190 196 A CA 2.031 54.037 52.037 -0.051 0.000 0.617 196 A CB -0.521 18.448 19.000 -0.052 0.000 0.827 196 A HN 0.485 nan 8.150 nan 0.000 0.443 197 R N -0.638 119.830 120.500 -0.054 0.000 2.073 197 R HA -0.061 4.283 4.340 0.007 0.000 0.229 197 R C -0.566 175.700 176.300 -0.056 0.000 1.120 197 R CA 1.484 57.549 56.100 -0.059 0.000 0.967 197 R CB -1.436 28.832 30.300 -0.053 0.000 0.862 197 R HN 0.404 nan 8.270 nan 0.000 0.436 198 P HA -0.114 nan 4.420 nan 0.000 0.217 198 P C 1.189 178.463 177.300 -0.044 0.000 1.150 198 P CA 1.136 64.212 63.100 -0.040 0.000 0.832 198 P CB 0.013 31.695 31.700 -0.031 0.000 0.787 199 L N -1.583 119.613 121.223 -0.046 0.000 2.093 199 L HA -0.135 4.209 4.340 0.007 0.000 0.208 199 L C 2.420 179.254 176.870 -0.061 0.000 1.085 199 L CA 1.123 55.935 54.840 -0.047 0.000 0.755 199 L CB -0.845 41.188 42.059 -0.044 0.000 0.904 199 L HN -0.040 nan 8.230 nan 0.000 0.435 200 L N -0.459 120.719 121.223 -0.076 0.000 2.046 200 L HA -0.208 4.136 4.340 0.007 0.000 0.208 200 L C 2.899 179.706 176.870 -0.105 0.000 1.077 200 L CA 1.203 55.981 54.840 -0.104 0.000 0.747 200 L CB -0.730 41.254 42.059 -0.125 0.000 0.896 200 L HN 0.248 nan 8.230 nan 0.000 0.432 201 A N 0.041 122.810 122.820 -0.085 0.000 1.908 201 A HA -0.217 4.107 4.320 0.007 0.000 0.218 201 A C 2.527 180.074 177.584 -0.062 0.000 1.181 201 A CA 1.886 53.879 52.037 -0.074 0.000 0.627 201 A CB -0.731 18.235 19.000 -0.056 0.000 0.818 201 A HN 0.424 nan 8.150 nan 0.000 0.445 202 A N -0.803 121.986 122.820 -0.052 0.000 1.877 202 A HA 0.031 4.355 4.320 0.007 0.000 0.216 202 A C 2.088 179.648 177.584 -0.041 0.000 1.186 202 A CA 1.693 53.705 52.037 -0.040 0.000 0.620 202 A CB -0.386 18.594 19.000 -0.034 0.000 0.822 202 A HN 0.481 nan 8.150 nan 0.000 0.443 203 L N -2.918 118.274 121.223 -0.051 0.000 2.609 203 L HA 0.247 4.592 4.340 0.007 0.000 0.230 203 L C 0.571 177.407 176.870 -0.057 0.000 1.064 203 L CA -0.016 54.798 54.840 -0.044 0.000 0.873 203 L CB 0.310 42.345 42.059 -0.039 0.000 1.139 203 L HN 0.047 nan 8.230 nan 0.000 0.490 204 R N 0.467 120.905 120.500 -0.105 0.000 2.644 204 R HA 0.229 4.573 4.340 0.007 0.000 0.271 204 R C -2.082 174.076 176.300 -0.237 0.000 1.687 204 R CA -1.390 54.602 56.100 -0.181 0.000 1.655 204 R CB 0.658 30.804 30.300 -0.257 0.000 1.285 204 R HN -0.073 nan 8.270 nan 0.000 0.643 205 P HA -0.114 nan 4.420 nan 0.000 0.222 205 P C 0.416 177.606 177.300 -0.183 0.000 1.147 205 P CA 1.031 64.049 63.100 -0.138 0.000 0.790 205 P CB 0.588 32.241 31.700 -0.078 0.000 0.780 206 E N 0.159 120.209 120.200 -0.251 0.000 2.204 206 E HA -0.091 4.263 4.350 0.007 0.000 0.195 206 E C 1.745 178.114 176.600 -0.384 0.000 0.990 206 E CA 0.774 57.008 56.400 -0.278 0.000 0.821 206 E CB -0.870 28.684 29.700 -0.244 0.000 0.750 206 E HN 0.295 nan 8.360 nan 0.000 0.477 207 L N 0.117 121.040 121.223 -0.500 0.000 2.645 207 L HA 0.136 4.480 4.340 0.007 0.000 0.235 207 L C 1.913 178.631 176.870 -0.252 0.000 1.150 207 L CA 0.001 54.596 54.840 -0.409 0.000 0.911 207 L CB -0.100 41.690 42.059 -0.449 0.000 1.077 207 L HN 0.205 nan 8.230 nan 0.000 0.438 208 G N 0.000 108.679 108.800 -0.202 0.000 2.471 208 G HA2 -0.241 3.723 3.960 0.007 0.000 0.219 208 G HA3 -0.241 3.723 3.960 0.007 0.000 0.219 208 G C 1.601 176.442 174.900 -0.099 0.000 1.125 208 G CA 0.782 45.805 45.100 -0.128 0.000 0.775 208 G HN 0.650 nan 8.290 nan 0.000 0.548 209 C N -0.118 119.098 119.300 -0.140 0.000 2.500 209 C HA 0.385 4.850 4.460 0.007 0.000 0.273 209 C C 1.107 176.018 174.990 -0.132 0.000 1.428 209 C CA -1.495 57.446 59.018 -0.128 0.000 1.766 209 C CB -0.955 26.556 27.740 -0.381 0.000 1.817 209 C HN 0.153 nan 8.230 nan 0.000 0.543 210 I N 2.576 123.049 120.570 -0.161 0.000 2.436 210 I HA 0.092 4.266 4.170 0.007 0.000 0.289 210 I C 1.136 177.198 176.117 -0.091 0.000 1.083 210 I CA -0.293 60.927 61.300 -0.133 0.000 1.372 210 I CB 0.297 38.211 38.000 -0.143 0.000 1.408 210 I HN 0.224 nan 8.210 nan 0.000 0.516 211 L N 5.594 126.765 121.223 -0.086 0.000 2.072 211 L HA -0.071 4.273 4.340 0.007 0.000 0.205 211 L C 1.177 177.985 176.870 -0.103 0.000 1.079 211 L CA 1.588 56.366 54.840 -0.104 0.000 0.752 211 L CB -0.246 41.703 42.059 -0.184 0.000 0.906 211 L HN 0.553 nan 8.230 nan 0.000 0.436 212 Q N -0.422 119.320 119.800 -0.096 0.000 3.122 212 Q HA 0.255 4.600 4.340 0.007 0.000 0.282 212 Q C -1.836 174.132 176.000 -0.054 0.000 0.947 212 Q CA -1.433 54.303 55.803 -0.111 0.000 0.812 212 Q CB 0.925 29.497 28.738 -0.275 0.000 1.333 212 Q HN 0.173 nan 8.270 nan 0.000 0.430 213 P HA -0.093 nan 4.420 nan 0.000 0.222 213 P C 0.864 178.114 177.300 -0.082 0.000 1.147 213 P CA 0.852 63.900 63.100 -0.085 0.000 0.790 213 P CB 0.466 32.110 31.700 -0.094 0.000 0.780 214 L N -1.558 119.643 121.223 -0.037 0.000 2.607 214 L HA 0.268 4.613 4.340 0.007 0.000 0.228 214 L C 1.398 178.293 176.870 0.043 0.000 1.123 214 L CA -0.323 54.508 54.840 -0.016 0.000 0.890 214 L CB -0.558 41.496 42.059 -0.008 0.000 1.103 214 L HN -0.084 nan 8.230 nan 0.000 0.468 215 G N -0.215 108.645 108.800 0.100 0.000 2.432 215 G HA2 0.247 4.211 3.960 0.007 0.000 0.239 215 G HA3 0.247 4.211 3.960 0.007 0.000 0.239 215 G C 0.975 176.032 174.900 0.260 0.000 1.291 215 G CA 0.166 45.401 45.100 0.226 0.000 0.863 215 G HN 0.272 nan 8.290 nan 0.000 0.560 216 G N 0.705 109.655 108.800 0.249 0.000 2.880 216 G HA2 0.138 4.103 3.960 0.007 0.000 0.209 216 G HA3 0.138 4.103 3.960 0.007 0.000 0.209 216 G C 0.409 175.502 174.900 0.321 0.000 1.157 216 G CA -0.022 45.279 45.100 0.335 0.000 0.779 216 G HN 0.541 nan 8.290 nan 0.000 0.539 217 E N 0.544 120.922 120.200 0.297 0.000 2.046 217 E HA 0.520 4.875 4.350 0.007 0.000 0.279 217 E C -0.874 175.931 176.600 0.342 0.000 0.989 217 E CA -0.535 55.983 56.400 0.197 0.000 0.798 217 E CB 0.518 30.248 29.700 0.050 0.000 1.086 217 E HN 0.523 nan 8.360 nan 0.000 0.399 218 Y N 0.407 120.816 120.300 0.182 0.000 2.713 218 Y HA 0.812 5.366 4.550 0.006 0.000 0.335 218 Y C -1.351 174.669 175.900 0.199 0.000 1.222 218 Y CA -1.712 56.493 58.100 0.175 0.000 1.061 218 Y CB 0.684 39.246 38.460 0.171 0.000 1.314 218 Y HN 0.339 nan 8.280 nan 0.000 0.453 219 A N 1.114 124.103 122.820 0.282 0.000 2.498 219 A HA 1.046 5.370 4.320 0.007 0.000 0.298 219 A C -1.280 176.437 177.584 0.221 0.000 1.075 219 A CA -0.321 51.803 52.037 0.145 0.000 0.714 219 A CB 1.450 20.490 19.000 0.067 0.000 1.299 219 A HN 2.041 nan 8.150 nan 0.000 0.407 220 A N 0.214 123.137 122.820 0.172 0.000 2.610 220 A HA 0.835 5.159 4.320 0.007 0.000 0.291 220 A C -0.069 177.602 177.584 0.146 0.000 1.086 220 A CA 0.098 52.258 52.037 0.204 0.000 0.677 220 A CB 0.514 19.701 19.000 0.311 0.000 1.278 220 A HN 2.039 nan 8.150 nan 0.000 0.414 221 T N -1.199 113.460 114.554 0.176 0.000 2.913 221 T HA 0.343 4.697 4.350 0.007 0.000 0.297 221 T C 1.098 175.886 174.700 0.148 0.000 1.029 221 T CA 0.173 62.366 62.100 0.156 0.000 1.104 221 T CB 0.924 69.943 68.868 0.252 0.000 0.964 221 T HN 0.830 nan 8.240 nan 0.000 0.532 222 R N 0.983 121.542 120.500 0.097 0.000 2.105 222 R HA -0.178 4.167 4.340 0.007 0.000 0.239 222 R C 2.306 178.662 176.300 0.092 0.000 1.135 222 R CA 1.990 58.140 56.100 0.084 0.000 0.967 222 R CB -0.385 29.938 30.300 0.038 0.000 0.861 222 R HN 0.964 nan 8.270 nan 0.000 0.442 223 E N 0.085 120.338 120.200 0.089 0.000 2.065 223 E HA -0.274 4.080 4.350 0.007 0.000 0.201 223 E C 1.866 178.495 176.600 0.049 0.000 1.016 223 E CA 1.831 58.269 56.400 0.063 0.000 0.818 223 E CB -0.191 29.554 29.700 0.074 0.000 0.749 223 E HN 0.333 nan 8.360 nan 0.000 0.453 224 L N 0.553 121.816 121.223 0.067 0.000 2.005 224 L HA -0.098 4.246 4.340 0.007 0.000 0.207 224 L C 2.253 179.213 176.870 0.151 0.000 1.072 224 L CA 1.537 56.414 54.840 0.060 0.000 0.744 224 L CB -0.520 41.584 42.059 0.076 0.000 0.895 224 L HN 0.253 nan 8.230 nan 0.000 0.433 225 L N -0.443 120.914 121.223 0.224 0.000 2.042 225 L HA -0.222 4.122 4.340 0.007 0.000 0.210 225 L C 2.361 179.439 176.870 0.346 0.000 1.076 225 L CA 1.973 57.033 54.840 0.366 0.000 0.749 225 L CB -1.228 41.077 42.059 0.410 0.000 0.893 225 L HN 0.549 nan 8.230 nan 0.000 0.432 226 T N -4.579 110.089 114.554 0.190 0.000 3.113 226 T HA -0.026 4.328 4.350 0.007 0.000 0.256 226 T C 1.645 176.429 174.700 0.140 0.000 1.131 226 T CA 0.681 62.859 62.100 0.129 0.000 1.074 226 T CB -0.112 68.786 68.868 0.049 0.000 0.944 226 T HN 0.398 nan 8.240 nan 0.000 0.516 227 S N 0.655 116.440 115.700 0.141 0.000 2.524 227 S HA 0.338 4.812 4.470 0.007 0.000 0.215 227 S C 0.532 175.205 174.600 0.122 0.000 0.986 227 S CA -0.157 58.104 58.200 0.103 0.000 0.911 227 S CB -0.324 62.907 63.200 0.052 0.000 0.805 227 S HN 0.597 nan 8.310 nan 0.000 0.501 228 V N -0.974 119.055 119.914 0.192 0.000 2.815 228 V HA 0.742 4.866 4.120 0.007 0.000 0.314 228 V C -2.968 173.292 176.094 0.277 0.000 1.064 228 V CA -2.996 59.411 62.300 0.178 0.000 0.952 228 V CB 1.502 33.400 31.823 0.125 0.000 1.020 228 V HN -0.007 nan 8.190 nan 0.000 0.439 229 P HA 0.291 nan 4.420 nan 0.000 0.272 229 P C -1.248 176.199 177.300 0.245 0.000 1.223 229 P CA 0.051 63.252 63.100 0.170 0.000 0.784 229 P CB 0.481 32.208 31.700 0.044 0.000 0.923 230 F N 0.657 120.545 119.950 -0.103 0.000 2.411 230 F HA 0.467 4.998 4.527 0.007 0.000 0.352 230 F C 0.898 176.614 175.800 -0.141 0.000 1.123 230 F CA -0.643 57.309 58.000 -0.080 0.000 1.044 230 F CB 1.061 40.048 39.000 -0.023 0.000 1.135 230 F HN 0.324 nan 8.300 nan 0.000 0.461 231 A N 6.426 129.214 122.820 -0.053 0.000 2.425 231 A HA 0.511 4.835 4.320 0.007 0.000 0.242 231 A C -2.317 175.247 177.584 -0.033 0.000 1.077 231 A CA -1.092 50.910 52.037 -0.059 0.000 0.781 231 A CB -0.452 18.500 19.000 -0.081 0.000 1.020 231 A HN 0.441 nan 8.150 nan 0.000 0.494 232 P HA 0.387 nan 4.420 nan 0.000 0.276 232 P C 0.982 178.246 177.300 -0.061 0.000 1.252 232 P CA 1.019 64.089 63.100 -0.051 0.000 0.802 232 P CB 0.669 32.334 31.700 -0.058 0.000 1.035 233 G N 1.221 109.959 108.800 -0.103 0.000 2.652 233 G HA2 -0.345 3.619 3.960 0.007 0.000 0.318 233 G HA3 -0.345 3.619 3.960 0.007 0.000 0.318 233 G C 0.546 175.300 174.900 -0.243 0.000 1.295 233 G CA 0.665 45.624 45.100 -0.234 0.000 0.999 233 G HN 0.548 nan 8.290 nan 0.000 0.548 234 Y N 2.196 122.493 120.300 -0.005 0.000 2.578 234 Y HA 0.268 4.824 4.550 0.009 0.000 0.297 234 Y C 2.768 178.647 175.900 -0.035 0.000 1.176 234 Y CA 0.477 58.567 58.100 -0.016 0.000 1.315 234 Y CB 0.020 38.464 38.460 -0.027 0.000 1.031 234 Y HN 0.531 nan 8.280 nan 0.000 0.524 235 G N -0.786 108.051 108.800 0.060 0.000 2.744 235 G HA2 -0.142 3.823 3.960 0.007 0.000 0.211 235 G HA3 -0.142 3.823 3.960 0.007 0.000 0.211 235 G C 1.670 176.545 174.900 -0.042 0.000 1.143 235 G CA 0.612 45.715 45.100 0.004 0.000 0.788 235 G HN 0.339 nan 8.290 nan 0.000 0.534 236 V N 0.581 120.472 119.914 -0.038 0.000 2.255 236 V HA -0.181 3.943 4.120 0.007 0.000 0.247 236 V C 2.700 178.678 176.094 -0.194 0.000 1.051 236 V CA 2.894 65.127 62.300 -0.111 0.000 1.018 236 V CB -0.201 31.596 31.823 -0.044 0.000 0.641 236 V HN 0.412 nan 8.190 nan 0.000 0.445 237 E N -0.017 120.097 120.200 -0.142 0.000 2.058 237 E HA -0.213 4.141 4.350 0.007 0.000 0.194 237 E C 1.940 178.395 176.600 -0.243 0.000 0.997 237 E CA 2.009 58.254 56.400 -0.258 0.000 0.801 237 E CB -0.443 29.137 29.700 -0.199 0.000 0.746 237 E HN 0.716 nan 8.360 nan 0.000 0.450 238 I N 0.103 120.582 120.570 -0.152 0.000 2.286 238 I HA -0.162 4.012 4.170 0.007 0.000 0.248 238 I C 2.049 178.087 176.117 -0.132 0.000 1.115 238 I CA 1.545 62.767 61.300 -0.130 0.000 1.392 238 I CB -0.283 37.664 38.000 -0.088 0.000 1.065 238 I HN 0.184 nan 8.210 nan 0.000 0.418 239 G N 0.524 109.241 108.800 -0.140 0.000 2.421 239 G HA2 -0.226 3.739 3.960 0.007 0.000 0.216 239 G HA3 -0.226 3.739 3.960 0.007 0.000 0.216 239 G C 1.644 176.448 174.900 -0.160 0.000 1.171 239 G CA 0.879 45.898 45.100 -0.136 0.000 0.775 239 G HN 0.397 nan 8.290 nan 0.000 0.543 240 L N -0.384 120.693 121.223 -0.242 0.000 2.012 240 L HA -0.068 4.277 4.340 0.007 0.000 0.210 240 L C 2.720 179.507 176.870 -0.139 0.000 1.073 240 L CA 0.710 55.410 54.840 -0.234 0.000 0.748 240 L CB -0.437 41.430 42.059 -0.320 0.000 0.891 240 L HN 0.247 nan 8.230 nan 0.000 0.431 241 L N -0.548 120.581 121.223 -0.157 0.000 1.989 241 L HA -0.202 4.142 4.340 0.007 0.000 0.211 241 L C 2.362 179.215 176.870 -0.027 0.000 1.071 241 L CA 1.802 56.579 54.840 -0.105 0.000 0.749 241 L CB -0.400 41.576 42.059 -0.138 0.000 0.890 241 L HN -0.061 nan 8.230 nan 0.000 0.431 242 V N -0.274 119.620 119.914 -0.034 0.000 2.358 242 V HA -0.248 3.876 4.120 0.007 0.000 0.246 242 V C 2.277 178.414 176.094 0.072 0.000 1.047 242 V CA 1.825 64.144 62.300 0.032 0.000 1.035 242 V CB -0.847 30.971 31.823 -0.007 0.000 0.658 242 V HN 0.455 nan 8.190 nan 0.000 0.452 243 D N 0.146 120.551 120.400 0.008 0.000 2.123 243 D HA -0.142 4.502 4.640 0.007 0.000 0.196 243 D C 2.289 178.595 176.300 0.009 0.000 0.992 243 D CA 1.943 55.944 54.000 0.002 0.000 0.833 243 D CB -0.372 40.414 40.800 -0.024 0.000 0.954 243 D HN 0.409 nan 8.370 nan 0.000 0.455 244 T N 0.609 115.174 114.554 0.018 0.000 2.708 244 T HA -0.159 4.195 4.350 0.007 0.000 0.266 244 T C 1.735 176.455 174.700 0.034 0.000 1.037 244 T CA 0.780 62.895 62.100 0.024 0.000 1.146 244 T CB -0.499 68.392 68.868 0.039 0.000 0.865 244 T HN 0.133 nan 8.240 nan 0.000 0.435 245 F N 2.580 122.498 119.950 -0.053 0.000 2.102 245 F HA -0.136 4.395 4.527 0.008 0.000 0.298 245 F C 1.848 177.620 175.800 -0.046 0.000 1.105 245 F CA 1.438 59.405 58.000 -0.055 0.000 1.239 245 F CB -0.434 38.526 39.000 -0.067 0.000 0.991 245 F HN 0.031 nan 8.300 nan 0.000 0.474 246 D N -0.012 120.328 120.400 -0.100 0.000 2.144 246 D HA -0.130 4.514 4.640 0.007 0.000 0.199 246 D C 2.347 178.520 176.300 -0.212 0.000 0.984 246 D CA 1.327 55.220 54.000 -0.178 0.000 0.834 246 D CB -0.242 40.553 40.800 -0.007 0.000 0.955 246 D HN 0.398 nan 8.370 nan 0.000 0.465 247 R N -0.663 119.748 120.500 -0.149 0.000 2.156 247 R HA 0.262 4.606 4.340 0.007 0.000 0.207 247 R C 1.685 177.900 176.300 -0.141 0.000 1.040 247 R CA 0.342 56.369 56.100 -0.121 0.000 1.013 247 R CB 0.425 30.680 30.300 -0.074 0.000 0.931 247 R HN 0.165 nan 8.270 nan 0.000 0.465 248 L N -0.596 120.535 121.223 -0.153 0.000 2.966 248 L HA 0.350 4.694 4.340 0.007 0.000 0.262 248 L C 0.600 177.380 176.870 -0.150 0.000 1.165 248 L CA -0.102 54.664 54.840 -0.123 0.000 0.978 248 L CB 0.859 42.873 42.059 -0.076 0.000 1.337 248 L HN 0.266 nan 8.230 nan 0.000 0.563 249 G N 0.707 109.329 108.800 -0.296 0.000 2.855 249 G HA2 -0.302 3.663 3.960 0.007 0.000 0.352 249 G HA3 -0.302 3.663 3.960 0.007 0.000 0.352 249 G C 0.135 174.971 174.900 -0.108 0.000 1.415 249 G CA -0.104 44.775 45.100 -0.368 0.000 0.871 249 G HN 0.009 nan 8.290 nan 0.000 0.543 250 L N 0.061 121.302 121.223 0.029 0.000 2.131 250 L HA 0.074 4.418 4.340 0.007 0.000 0.210 250 L C 2.413 179.288 176.870 0.008 0.000 1.092 250 L CA 2.789 57.706 54.840 0.129 0.000 0.759 250 L CB -0.460 41.681 42.059 0.136 0.000 0.903 250 L HN 0.610 nan 8.230 nan 0.000 0.435 251 D N -0.405 119.987 120.400 -0.014 0.000 2.309 251 D HA -0.101 4.544 4.640 0.007 0.000 0.212 251 D C 2.017 178.316 176.300 -0.003 0.000 0.968 251 D CA 1.154 55.140 54.000 -0.023 0.000 0.882 251 D CB -0.034 40.756 40.800 -0.017 0.000 0.918 251 D HN 0.452 nan 8.370 nan 0.000 0.503 252 A N -0.063 122.772 122.820 0.025 0.000 2.238 252 A HA 0.149 4.473 4.320 0.007 0.000 0.208 252 A C 0.927 178.547 177.584 0.059 0.000 1.177 252 A CA 0.027 52.111 52.037 0.077 0.000 0.804 252 A CB -0.077 18.997 19.000 0.122 0.000 0.823 252 A HN 0.132 nan 8.150 nan 0.000 0.482 253 I N 0.236 120.815 120.570 0.014 0.000 2.378 253 I HA 0.566 4.741 4.170 0.007 0.000 0.291 253 I C 0.193 176.271 176.117 -0.066 0.000 0.992 253 I CA -0.484 60.811 61.300 -0.008 0.000 1.154 253 I CB 1.908 39.900 38.000 -0.014 0.000 1.315 253 I HN 0.118 nan 8.210 nan 0.000 0.448 254 A N 5.937 128.733 122.820 -0.040 0.000 2.354 254 A HA 0.772 5.096 4.320 0.007 0.000 0.321 254 A C -0.891 176.680 177.584 -0.022 0.000 1.125 254 A CA -0.606 51.393 52.037 -0.062 0.000 0.799 254 A CB 1.503 20.492 19.000 -0.019 0.000 1.293 254 A HN 0.704 nan 8.150 nan 0.000 0.452 255 Q N 0.137 119.930 119.800 -0.013 0.000 2.353 255 Q HA 0.617 4.961 4.340 0.007 0.000 0.268 255 Q C -1.446 174.674 176.000 0.201 0.000 1.045 255 Q CA -0.765 55.122 55.803 0.141 0.000 0.811 255 Q CB 2.530 31.386 28.738 0.198 0.000 1.305 255 Q HN 0.502 nan 8.270 nan 0.000 0.447 256 V N 1.994 122.008 119.914 0.167 0.000 2.656 256 V HA 0.268 4.392 4.120 0.007 0.000 0.307 256 V C -0.344 175.455 176.094 -0.492 0.000 1.051 256 V CA -1.070 61.210 62.300 -0.034 0.000 0.893 256 V CB 1.949 33.772 31.823 -0.000 0.000 0.999 256 V HN 0.675 nan 8.190 nan 0.000 0.426 257 N N 3.337 121.539 118.700 -0.831 0.000 2.431 257 N HA 0.221 4.965 4.740 0.007 0.000 0.265 257 N C 0.533 175.607 175.510 -0.726 0.000 1.184 257 N CA 0.093 52.391 53.050 -1.253 0.000 0.943 257 N CB 0.939 38.959 38.487 -0.778 0.000 1.080 257 N HN 0.708 nan 8.380 nan 0.000 0.477 258 L N 2.584 123.494 121.223 -0.521 0.000 2.558 258 L HA 0.216 4.560 4.340 0.007 0.000 0.225 258 L C 1.537 178.367 176.870 -0.067 0.000 1.128 258 L CA 0.372 55.032 54.840 -0.300 0.000 0.868 258 L CB -0.711 41.057 42.059 -0.484 0.000 1.006 258 L HN 0.825 nan 8.230 nan 0.000 0.454 259 G N 0.084 108.805 108.800 -0.131 0.000 2.545 259 G HA2 -0.261 3.703 3.960 0.007 0.000 0.240 259 G HA3 -0.261 3.703 3.960 0.007 0.000 0.240 259 G C -0.277 174.707 174.900 0.141 0.000 1.172 259 G CA -0.364 44.739 45.100 0.004 0.000 0.949 259 G HN -0.126 nan 8.290 nan 0.000 0.574 260 V N 2.222 122.252 119.914 0.193 0.000 2.488 260 V HA 0.565 4.689 4.120 0.007 0.000 0.277 260 V C 0.896 177.150 176.094 0.268 0.000 1.046 260 V CA 0.109 62.534 62.300 0.207 0.000 0.986 260 V CB 1.337 33.258 31.823 0.164 0.000 0.989 260 V HN 0.678 nan 8.190 nan 0.000 0.475 261 R N 3.545 124.178 120.500 0.221 0.000 2.320 261 R HA 0.510 4.855 4.340 0.007 0.000 0.319 261 R C -0.096 176.275 176.300 0.118 0.000 0.969 261 R CA -0.186 56.003 56.100 0.149 0.000 0.857 261 R CB 1.094 31.265 30.300 -0.215 0.000 1.160 261 R HN 0.886 nan 8.270 nan 0.000 0.491 262 E N 3.023 123.308 120.200 0.142 0.000 2.259 262 E HA 0.254 4.608 4.350 0.007 0.000 0.281 262 E C -0.925 175.784 176.600 0.181 0.000 1.027 262 E CA -0.414 56.066 56.400 0.133 0.000 0.838 262 E CB 0.781 30.536 29.700 0.091 0.000 1.066 262 E HN 0.857 nan 8.360 nan 0.000 0.401 263 H N -2.336 116.744 119.070 0.017 0.000 3.037 263 H HA 0.806 5.368 4.556 0.009 0.000 0.355 263 H C 0.208 175.548 175.328 0.020 0.000 1.263 263 H CA -0.360 55.697 56.048 0.016 0.000 1.129 263 H CB 0.907 30.671 29.762 0.003 0.000 1.861 263 H HN 0.747 nan 8.280 nan 0.000 0.546 264 R N 0.660 121.012 120.500 -0.247 0.000 2.538 264 R HA 0.311 4.655 4.340 0.007 0.000 0.282 264 R C 0.370 176.350 176.300 -0.532 0.000 1.009 264 R CA 0.503 56.439 56.100 -0.275 0.000 1.063 264 R CB -1.888 28.351 30.300 -0.101 0.000 0.945 264 R HN 1.079 nan 8.270 nan 0.000 0.414 265 N N 2.173 120.677 118.700 -0.326 0.000 2.492 265 N HA 0.250 4.995 4.740 0.007 0.000 0.260 265 N C 0.225 175.648 175.510 -0.145 0.000 1.215 265 N CA 0.048 52.948 53.050 -0.250 0.000 0.923 265 N CB 0.244 38.661 38.487 -0.117 0.000 1.092 265 N HN 0.772 nan 8.380 nan 0.000 0.448 266 R N 1.545 121.992 120.500 -0.089 0.000 2.489 266 R HA 0.198 4.542 4.340 0.007 0.000 0.287 266 R C -2.024 174.258 176.300 -0.030 0.000 1.053 266 R CA -0.714 55.360 56.100 -0.044 0.000 1.036 266 R CB 0.277 30.550 30.300 -0.044 0.000 0.966 266 R HN 0.563 nan 8.270 nan 0.000 0.432 267 P HA -0.025 nan 4.420 nan 0.000 0.268 267 P C 0.438 177.744 177.300 0.010 0.000 1.204 267 P CA 0.030 63.139 63.100 0.015 0.000 0.768 267 P CB 0.589 32.317 31.700 0.047 0.000 0.842 268 L N 2.093 123.329 121.223 0.022 0.000 2.127 268 L HA -0.239 4.106 4.340 0.007 0.000 0.211 268 L C 2.305 179.195 176.870 0.033 0.000 1.089 268 L CA 1.722 56.573 54.840 0.019 0.000 0.757 268 L CB -0.859 41.220 42.059 0.032 0.000 0.899 268 L HN 0.454 nan 8.230 nan 0.000 0.434 269 A N 0.130 123.004 122.820 0.090 0.000 1.940 269 A HA -0.242 4.082 4.320 0.007 0.000 0.219 269 A C 2.108 179.736 177.584 0.073 0.000 1.176 269 A CA 1.849 54.002 52.037 0.193 0.000 0.631 269 A CB -0.397 18.791 19.000 0.313 0.000 0.814 269 A HN 0.479 nan 8.150 nan 0.000 0.446 270 E N -0.489 119.656 120.200 -0.092 0.000 2.481 270 E HA 0.100 4.455 4.350 0.007 0.000 0.195 270 E C 1.626 177.947 176.600 -0.466 0.000 1.047 270 E CA -0.032 56.104 56.400 -0.440 0.000 0.867 270 E CB -0.092 29.481 29.700 -0.211 0.000 0.858 270 E HN 0.632 nan 8.360 nan 0.000 0.513 271 L N -0.040 121.019 121.223 -0.274 0.000 2.141 271 L HA -0.075 4.269 4.340 0.007 0.000 0.209 271 L C 2.456 179.179 176.870 -0.245 0.000 1.094 271 L CA 1.082 55.790 54.840 -0.221 0.000 0.763 271 L CB -0.562 41.426 42.059 -0.119 0.000 0.908 271 L HN 0.247 nan 8.230 nan 0.000 0.437 272 G N -0.103 108.532 108.800 -0.275 0.000 2.421 272 G HA2 -0.265 3.699 3.960 0.007 0.000 0.216 272 G HA3 -0.265 3.699 3.960 0.007 0.000 0.216 272 G C 1.796 176.489 174.900 -0.345 0.000 1.171 272 G CA 0.839 45.794 45.100 -0.241 0.000 0.775 272 G HN 0.451 nan 8.290 nan 0.000 0.543 273 A N 0.409 122.806 122.820 -0.705 0.000 1.908 273 A HA -0.036 4.288 4.320 0.007 0.000 0.218 273 A C 2.373 179.795 177.584 -0.270 0.000 1.181 273 A CA 2.042 53.705 52.037 -0.624 0.000 0.627 273 A CB -0.418 17.901 19.000 -1.135 0.000 0.818 273 A HN 0.420 nan 8.150 nan 0.000 0.445 274 M N -0.315 119.126 119.600 -0.266 0.000 2.086 274 M HA -0.144 4.340 4.480 0.007 0.000 0.261 274 M C 2.238 178.483 176.300 -0.092 0.000 1.067 274 M CA 2.046 57.265 55.300 -0.134 0.000 1.116 274 M CB -0.160 32.276 32.600 -0.273 0.000 1.348 274 M HN 0.421 nan 8.290 nan 0.000 0.407 275 S N 0.342 115.970 115.700 -0.119 0.000 2.359 275 S HA -0.212 4.263 4.470 0.007 0.000 0.224 275 S C 1.767 176.335 174.600 -0.054 0.000 1.035 275 S CA 1.772 59.925 58.200 -0.078 0.000 1.018 275 S CB -0.532 62.622 63.200 -0.077 0.000 0.876 275 S HN 0.448 nan 8.310 nan 0.000 0.448 276 R N 1.598 122.061 120.500 -0.062 0.000 2.091 276 R HA -0.120 4.224 4.340 0.007 0.000 0.238 276 R C 2.299 178.589 176.300 -0.016 0.000 1.136 276 R CA 1.797 57.877 56.100 -0.034 0.000 0.959 276 R CB -0.748 29.534 30.300 -0.031 0.000 0.856 276 R HN 0.316 nan 8.270 nan 0.000 0.437 277 Q N -0.405 119.390 119.800 -0.009 0.000 2.083 277 Q HA -0.010 4.334 4.340 0.007 0.000 0.198 277 Q C 1.982 177.984 176.000 0.004 0.000 0.969 277 Q CA 1.843 57.652 55.803 0.011 0.000 0.838 277 Q CB -0.241 28.525 28.738 0.047 0.000 0.900 277 Q HN 0.236 nan 8.270 nan 0.000 0.436 278 V N 0.500 120.414 119.914 -0.000 0.000 2.332 278 V HA -0.281 3.843 4.120 0.007 0.000 0.248 278 V C 2.220 178.300 176.094 -0.024 0.000 1.055 278 V CA 1.881 64.173 62.300 -0.015 0.000 1.038 278 V CB -0.531 31.277 31.823 -0.025 0.000 0.651 278 V HN 0.384 nan 8.190 nan 0.000 0.450 279 I N 0.097 120.654 120.570 -0.023 0.000 2.179 279 I HA -0.241 3.934 4.170 0.007 0.000 0.242 279 I C 2.663 178.769 176.117 -0.019 0.000 1.088 279 I CA 1.519 62.806 61.300 -0.022 0.000 1.357 279 I CB -0.589 37.400 38.000 -0.019 0.000 1.051 279 I HN 0.287 nan 8.210 nan 0.000 0.409 280 A N 0.241 123.053 122.820 -0.015 0.000 1.883 280 A HA -0.234 4.090 4.320 0.007 0.000 0.217 280 A C 2.386 179.958 177.584 -0.020 0.000 1.186 280 A CA 2.633 54.662 52.037 -0.014 0.000 0.624 280 A CB -1.214 17.780 19.000 -0.009 0.000 0.822 280 A HN 0.397 nan 8.150 nan 0.000 0.444 281 T N 0.282 114.822 114.554 -0.023 0.000 2.708 281 T HA -0.094 4.261 4.350 0.007 0.000 0.266 281 T C 1.848 176.527 174.700 -0.035 0.000 1.037 281 T CA 1.408 63.489 62.100 -0.032 0.000 1.146 281 T CB -0.361 68.484 68.868 -0.038 0.000 0.865 281 T HN 0.336 nan 8.240 nan 0.000 0.435 282 L N 0.343 121.545 121.223 -0.035 0.000 2.017 282 L HA -0.059 4.285 4.340 0.007 0.000 0.208 282 L C 2.512 179.366 176.870 -0.028 0.000 1.073 282 L CA 1.208 56.026 54.840 -0.036 0.000 0.745 282 L CB -0.488 41.547 42.059 -0.040 0.000 0.894 282 L HN 0.283 nan 8.230 nan 0.000 0.432 283 L N -0.591 120.618 121.223 -0.023 0.000 2.012 283 L HA -0.261 4.084 4.340 0.007 0.000 0.210 283 L C 2.910 179.770 176.870 -0.016 0.000 1.073 283 L CA 1.774 56.603 54.840 -0.018 0.000 0.748 283 L CB -0.798 41.252 42.059 -0.015 0.000 0.891 283 L HN 0.435 nan 8.230 nan 0.000 0.431 284 S N -0.237 115.452 115.700 -0.018 0.000 2.370 284 S HA -0.197 4.277 4.470 0.007 0.000 0.226 284 S C 2.133 176.724 174.600 -0.016 0.000 1.033 284 S CA 0.788 58.978 58.200 -0.018 0.000 1.011 284 S CB -0.324 62.863 63.200 -0.022 0.000 0.852 284 S HN 0.289 nan 8.310 nan 0.000 0.457 285 R N 0.717 121.206 120.500 -0.019 0.000 2.152 285 R HA 0.138 4.482 4.340 0.007 0.000 0.232 285 R C 2.014 178.312 176.300 -0.003 0.000 1.117 285 R CA 0.845 56.937 56.100 -0.013 0.000 0.981 285 R CB -1.937 28.353 30.300 -0.017 0.000 0.870 285 R HN 0.560 nan 8.270 nan 0.000 0.451 286 C N -0.446 118.850 119.300 -0.006 0.000 2.754 286 C HA 0.345 4.809 4.460 0.007 0.000 0.276 286 C C 1.334 176.323 174.990 -0.001 0.000 1.264 286 C CA 0.095 59.113 59.018 -0.000 0.000 1.700 286 C CB -0.743 26.994 27.740 -0.006 0.000 1.885 286 C HN 0.695 nan 8.230 nan 0.000 0.607 287 G N 1.391 110.189 108.800 -0.004 0.000 2.143 287 G HA2 -0.253 3.711 3.960 0.007 0.000 0.248 287 G HA3 -0.253 3.711 3.960 0.007 0.000 0.248 287 G C -0.156 174.741 174.900 -0.006 0.000 0.991 287 G CA -0.095 45.002 45.100 -0.005 0.000 0.689 287 G HN 0.574 nan 8.290 nan 0.000 0.522 288 I N 1.472 122.038 120.570 -0.007 0.000 2.321 288 I HA 0.334 4.509 4.170 0.007 0.000 0.291 288 I C -2.000 174.113 176.117 -0.008 0.000 0.998 288 I CA -2.532 58.764 61.300 -0.007 0.000 1.227 288 I CB 1.670 39.665 38.000 -0.008 0.000 1.368 288 I HN -0.166 nan 8.210 nan 0.000 0.466 289 P HA 0.005 nan 4.420 nan 0.000 0.266 289 P C -0.847 176.450 177.300 -0.005 0.000 1.215 289 P CA -0.029 63.068 63.100 -0.006 0.000 0.763 289 P CB 0.410 32.107 31.700 -0.004 0.000 0.806 290 D N 2.077 122.474 120.400 -0.006 0.000 2.177 290 D HA 0.037 4.681 4.640 0.007 0.000 0.247 290 D C 1.110 177.408 176.300 -0.002 0.000 1.063 290 D CA -0.158 53.840 54.000 -0.004 0.000 0.867 290 D CB 1.337 42.133 40.800 -0.007 0.000 1.168 290 D HN 0.270 nan 8.370 nan 0.000 0.445 291 S N 2.592 118.293 115.700 0.001 0.000 2.440 291 S HA -0.069 4.405 4.470 0.007 0.000 0.238 291 S C 1.712 176.314 174.600 0.004 0.000 1.010 291 S CA 1.126 59.328 58.200 0.003 0.000 0.972 291 S CB -0.415 62.789 63.200 0.007 0.000 0.774 291 S HN 0.936 nan 8.310 nan 0.000 0.501 292 G N -0.038 108.764 108.800 0.003 0.000 2.162 292 G HA2 -0.246 3.718 3.960 0.007 0.000 0.260 292 G HA3 -0.246 3.718 3.960 0.007 0.000 0.260 292 G C 0.060 174.966 174.900 0.010 0.000 0.976 292 G CA 0.168 45.271 45.100 0.004 0.000 0.655 292 G HN 0.814 nan 8.290 nan 0.000 0.533 293 V N 1.522 121.443 119.914 0.012 0.000 2.432 293 V HA 0.615 4.739 4.120 0.007 0.000 0.271 293 V C 1.438 177.546 176.094 0.024 0.000 1.046 293 V CA -0.037 62.273 62.300 0.017 0.000 0.945 293 V CB 1.049 32.883 31.823 0.018 0.000 0.992 293 V HN 0.675 nan 8.190 nan 0.000 0.471 294 G N 3.807 112.624 108.800 0.028 0.000 2.594 294 G HA2 0.331 4.295 3.960 0.007 0.000 0.243 294 G HA3 0.331 4.295 3.960 0.007 0.000 0.243 294 G C -0.403 174.526 174.900 0.050 0.000 1.229 294 G CA -0.510 44.618 45.100 0.046 0.000 0.843 294 G HN 0.687 nan 8.290 nan 0.000 0.578 295 L N 0.831 122.099 121.223 0.074 0.000 2.462 295 L HA 0.319 4.663 4.340 0.007 0.000 0.272 295 L C 0.621 177.539 176.870 0.080 0.000 1.166 295 L CA 0.330 55.219 54.840 0.082 0.000 0.880 295 L CB 0.533 42.640 42.059 0.080 0.000 1.142 295 L HN 0.359 nan 8.230 nan 0.000 0.473 296 T N 5.700 120.265 114.554 0.019 0.000 2.733 296 T HA 0.344 4.698 4.350 0.007 0.000 0.294 296 T C -0.271 174.355 174.700 -0.122 0.000 0.956 296 T CA -0.348 61.680 62.100 -0.119 0.000 0.987 296 T CB 0.527 69.280 68.868 -0.192 0.000 0.920 296 T HN 0.626 nan 8.240 nan 0.000 0.470 297 Q N 2.189 121.915 119.800 -0.123 0.000 2.230 297 Q HA 0.456 4.800 4.340 0.007 0.000 0.253 297 Q C -1.030 174.856 176.000 -0.190 0.000 0.919 297 Q CA -0.519 55.288 55.803 0.007 0.000 0.908 297 Q CB 1.479 30.345 28.738 0.214 0.000 1.245 297 Q HN 0.570 nan 8.270 nan 0.000 0.437 298 F N 1.236 121.277 119.950 0.151 0.000 2.347 298 F HA 0.295 4.825 4.527 0.006 0.000 0.366 298 F C -0.317 175.683 175.800 0.334 0.000 1.107 298 F CA -0.865 57.254 58.000 0.199 0.000 1.058 298 F CB 1.200 40.224 39.000 0.040 0.000 1.236 298 F HN 0.160 nan 8.300 nan 0.000 0.456 299 V N 3.830 123.981 119.914 0.395 0.000 2.333 299 V HA 0.547 4.671 4.120 0.007 0.000 0.274 299 V C 0.449 176.615 176.094 0.119 0.000 1.028 299 V CA -1.155 61.296 62.300 0.251 0.000 0.851 299 V CB 0.893 32.804 31.823 0.146 0.000 1.000 299 V HN 0.846 nan 8.190 nan 0.000 0.456 300 A N 3.332 126.112 122.820 -0.067 0.000 2.546 300 A HA 0.152 4.476 4.320 0.007 0.000 0.243 300 A C 0.929 178.376 177.584 -0.228 0.000 1.063 300 A CA -0.033 51.711 52.037 -0.488 0.000 0.757 300 A CB -0.034 18.725 19.000 -0.401 0.000 0.991 300 A HN 0.855 nan 8.150 nan 0.000 0.503 301 D N 1.381 121.639 120.400 -0.238 0.000 2.305 301 D HA 0.200 4.844 4.640 0.007 0.000 0.206 301 D C 0.978 177.220 176.300 -0.097 0.000 0.974 301 D CA 1.625 55.556 54.000 -0.114 0.000 0.871 301 D CB 0.327 41.079 40.800 -0.079 0.000 0.947 301 D HN 0.701 nan 8.370 nan 0.000 0.516 302 G N 0.060 108.782 108.800 -0.129 0.000 2.725 302 G HA2 0.399 4.363 3.960 0.007 0.000 0.288 302 G HA3 0.399 4.363 3.960 0.007 0.000 0.288 302 G C -2.006 172.842 174.900 -0.087 0.000 1.399 302 G CA -0.883 44.166 45.100 -0.086 0.000 0.859 302 G HN -0.256 nan 8.290 nan 0.000 0.479 303 P HA -0.070 nan 4.420 nan 0.000 0.216 303 P C 1.332 178.612 177.300 -0.032 0.000 1.153 303 P CA 1.243 64.322 63.100 -0.035 0.000 0.848 303 P CB 0.186 31.874 31.700 -0.020 0.000 0.787 304 E N -0.165 120.016 120.200 -0.031 0.000 2.338 304 E HA -0.037 4.317 4.350 0.007 0.000 0.197 304 E C 1.264 177.853 176.600 -0.018 0.000 1.007 304 E CA 1.070 57.460 56.400 -0.016 0.000 0.849 304 E CB -1.142 28.552 29.700 -0.009 0.000 0.774 304 E HN 0.308 nan 8.360 nan 0.000 0.506 305 G N 0.682 109.437 108.800 -0.075 0.000 2.212 305 G HA2 -0.390 3.574 3.960 0.007 0.000 0.255 305 G HA3 -0.390 3.574 3.960 0.007 0.000 0.255 305 G C 0.924 175.787 174.900 -0.062 0.000 1.062 305 G CA 0.955 45.972 45.100 -0.137 0.000 0.815 305 G HN 0.621 nan 8.290 nan 0.000 0.497 306 Q N -1.223 118.537 119.800 -0.066 0.000 2.167 306 Q HA 0.463 4.807 4.340 0.007 0.000 0.202 306 Q C 1.700 177.712 176.000 0.019 0.000 0.970 306 Q CA 2.499 58.298 55.803 -0.006 0.000 0.855 306 Q CB -0.120 28.610 28.738 -0.013 0.000 0.911 306 Q HN 2.355 nan 8.270 nan 0.000 0.438 307 S N -2.474 113.189 115.700 -0.062 0.000 2.537 307 S HA 0.691 5.165 4.470 0.007 0.000 0.270 307 S C -1.262 173.274 174.600 -0.106 0.000 1.142 307 S CA -0.860 57.352 58.200 0.021 0.000 0.870 307 S CB 0.804 64.021 63.200 0.028 0.000 1.112 307 S HN 0.379 nan 8.310 nan 0.000 0.466 308 Y N 0.511 120.863 120.300 0.087 0.000 2.429 308 Y HA 0.569 5.124 4.550 0.007 0.000 0.342 308 Y C 0.620 176.587 175.900 0.112 0.000 1.004 308 Y CA -0.656 57.523 58.100 0.130 0.000 1.075 308 Y CB 2.427 41.024 38.460 0.227 0.000 1.214 308 Y HN 0.690 nan 8.280 nan 0.000 0.455 309 T N 3.439 118.115 114.554 0.203 0.000 2.771 309 T HA 0.137 4.492 4.350 0.007 0.000 0.291 309 T C -0.547 174.198 174.700 0.075 0.000 0.954 309 T CA -0.630 61.531 62.100 0.102 0.000 1.045 309 T CB 0.583 69.465 68.868 0.023 0.000 0.917 309 T HN 0.507 nan 8.240 nan 0.000 0.484 310 Q N 3.070 122.866 119.800 -0.008 0.000 2.322 310 Q HA 0.193 4.537 4.340 0.007 0.000 0.256 310 Q C -0.854 175.069 176.000 -0.128 0.000 0.960 310 Q CA -0.417 55.269 55.803 -0.195 0.000 0.934 310 Q CB 0.458 29.098 28.738 -0.164 0.000 1.200 310 Q HN 0.782 nan 8.270 nan 0.000 0.435 311 H N 3.075 121.956 119.070 -0.314 0.000 2.727 311 H HA 0.359 4.919 4.556 0.006 0.000 0.330 311 H C -1.339 173.776 175.328 -0.356 0.000 0.986 311 H CA -0.704 55.141 56.048 -0.339 0.000 1.251 311 H CB 1.308 30.854 29.762 -0.360 0.000 1.493 311 H HN 0.555 nan 8.280 nan 0.000 0.515 312 T N 5.418 119.770 114.554 -0.338 0.000 2.756 312 T HA 0.110 4.465 4.350 0.007 0.000 0.290 312 T C -0.505 173.983 174.700 -0.352 0.000 0.985 312 T CA -0.535 61.389 62.100 -0.292 0.000 0.955 312 T CB 0.209 69.001 68.868 -0.125 0.000 0.930 312 T HN 0.381 nan 8.240 nan 0.000 0.451 313 W N 4.562 125.688 121.300 -0.290 0.000 2.316 313 W HA 0.425 5.088 4.660 0.006 0.000 0.321 313 W C -1.899 174.571 176.519 -0.081 0.000 1.203 313 W CA -2.153 55.078 57.345 -0.190 0.000 1.214 313 W CB 0.028 29.377 29.460 -0.185 0.000 1.169 313 W HN 0.379 nan 8.180 nan 0.000 0.561 314 P HA 0.208 nan 4.420 nan 0.000 0.275 314 P C -1.100 176.263 177.300 0.104 0.000 1.228 314 P CA -0.140 63.026 63.100 0.112 0.000 0.786 314 P CB 1.844 33.596 31.700 0.086 0.000 0.927 315 V N 1.334 121.284 119.914 0.061 0.000 2.823 315 V HA 0.574 4.698 4.120 0.007 0.000 0.312 315 V C -0.627 175.478 176.094 0.018 0.000 1.072 315 V CA -0.537 61.786 62.300 0.038 0.000 0.937 315 V CB 2.131 33.972 31.823 0.030 0.000 1.013 315 V HN 0.729 nan 8.190 nan 0.000 0.430 316 S N 5.048 120.751 115.700 0.004 0.000 2.482 316 S HA 0.595 5.069 4.470 0.007 0.000 0.303 316 S C 0.070 174.659 174.600 -0.018 0.000 1.091 316 S CA -0.711 57.483 58.200 -0.010 0.000 1.057 316 S CB 1.478 64.665 63.200 -0.021 0.000 1.031 316 S HN 0.707 nan 8.310 nan 0.000 0.485 317 L N 3.116 124.327 121.223 -0.021 0.000 2.769 317 L HA 0.420 4.764 4.340 0.007 0.000 0.240 317 L C 0.813 177.660 176.870 -0.037 0.000 1.163 317 L CA -0.257 54.567 54.840 -0.025 0.000 0.962 317 L CB 0.004 42.052 42.059 -0.019 0.000 1.258 317 L HN 0.692 nan 8.230 nan 0.000 0.513 318 A N 0.382 123.174 122.820 -0.046 0.000 2.366 318 A HA 0.331 4.655 4.320 0.007 0.000 0.322 318 A C -0.349 177.178 177.584 -0.096 0.000 1.397 318 A CA -0.538 51.459 52.037 -0.066 0.000 0.984 318 A CB -0.044 18.917 19.000 -0.065 0.000 1.149 318 A HN 0.050 nan 8.150 nan 0.000 0.540 319 D N 1.552 121.893 120.400 -0.099 0.000 2.368 319 D HA 0.186 4.830 4.640 0.007 0.000 0.240 319 D C 0.420 176.579 176.300 -0.236 0.000 1.169 319 D CA 0.277 54.197 54.000 -0.132 0.000 0.906 319 D CB 0.651 41.395 40.800 -0.092 0.000 1.187 319 D HN 0.339 nan 8.370 nan 0.000 0.435 320 R N 1.323 121.588 120.500 -0.392 0.000 2.457 320 R HA 0.395 4.739 4.340 0.007 0.000 0.284 320 R C -2.093 173.934 176.300 -0.454 0.000 1.024 320 R CA -1.605 54.044 56.100 -0.751 0.000 1.025 320 R CB 0.582 29.806 30.300 -1.793 0.000 1.063 320 R HN 0.324 nan 8.270 nan 0.000 0.493 321 P HA 0.273 nan 4.420 nan 0.000 0.277 321 P C -2.580 174.840 177.300 0.201 0.000 1.271 321 P CA -1.828 61.272 63.100 0.001 0.000 0.795 321 P CB -0.419 31.312 31.700 0.052 0.000 1.101 322 P HA 0.009 nan 4.420 nan 0.000 0.263 322 P C 1.073 178.567 177.300 0.324 0.000 1.175 322 P CA 0.268 63.533 63.100 0.275 0.000 0.761 322 P CB 0.040 31.838 31.700 0.164 0.000 0.794 323 M N 3.504 123.286 119.600 0.305 0.000 2.346 323 M HA -0.201 4.284 4.480 0.007 0.000 0.263 323 M C 1.661 177.982 176.300 0.035 0.000 1.064 323 M CA 1.801 57.142 55.300 0.069 0.000 1.083 323 M CB -0.971 31.491 32.600 -0.230 0.000 1.399 323 M HN 0.357 nan 8.290 nan 0.000 0.435 324 Q N -1.033 118.806 119.800 0.065 0.000 2.234 324 Q HA -0.097 4.248 4.340 0.007 0.000 0.206 324 Q C 1.741 177.771 176.000 0.049 0.000 0.980 324 Q CA 1.483 57.311 55.803 0.043 0.000 0.869 324 Q CB -0.228 28.539 28.738 0.047 0.000 0.912 324 Q HN 0.698 nan 8.270 nan 0.000 0.436 325 A N -0.503 122.367 122.820 0.083 0.000 2.169 325 A HA -0.012 4.312 4.320 0.007 0.000 0.212 325 A C 1.456 179.088 177.584 0.080 0.000 1.153 325 A CA 0.571 52.656 52.037 0.079 0.000 0.756 325 A CB 0.234 19.290 19.000 0.094 0.000 0.813 325 A HN 0.203 nan 8.150 nan 0.000 0.471 326 I N -2.155 118.463 120.570 0.081 0.000 3.534 326 I HA 0.241 4.415 4.170 0.007 0.000 0.251 326 I C 1.066 177.180 176.117 -0.005 0.000 1.136 326 I CA 0.643 61.982 61.300 0.065 0.000 1.475 326 I CB -0.482 37.594 38.000 0.128 0.000 1.526 326 I HN 0.190 nan 8.210 nan 0.000 0.454 327 R N 2.897 123.363 120.500 -0.057 0.000 2.477 327 R HA 0.325 4.669 4.340 0.007 0.000 0.285 327 R C -2.557 173.705 176.300 -0.063 0.000 1.415 327 R CA -1.517 54.536 56.100 -0.077 0.000 1.446 327 R CB 0.850 31.070 30.300 -0.134 0.000 1.110 327 R HN 0.053 nan 8.270 nan 0.000 0.590 328 P HA 0.190 nan 4.420 nan 0.000 0.275 328 P C -0.220 177.064 177.300 -0.025 0.000 1.227 328 P CA -0.063 63.025 63.100 -0.020 0.000 0.781 328 P CB 0.930 32.628 31.700 -0.005 0.000 0.906 329 R N 0.000 120.487 120.500 -0.021 0.000 2.786 329 R HA 0.000 4.344 4.340 0.007 0.000 0.208 329 R CA 0.000 56.089 56.100 -0.019 0.000 0.921 329 R CB 0.000 30.290 30.300 -0.016 0.000 0.687 329 R HN 0.000 nan 8.270 nan 0.000 0.535