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 2ux3_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HGM 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.610 177.584 0.044 0.000 1.274 1 A CA 0.000 52.055 52.037 0.030 0.000 0.836 1 A CB 0.000 19.016 19.000 0.026 0.000 0.831 2 E N 0.019 120.241 120.200 0.036 0.000 2.316 2 E HA 0.424 4.774 4.350 0.000 0.000 0.275 2 E C -0.656 175.993 176.600 0.081 0.000 1.029 2 E CA -0.098 56.332 56.400 0.049 0.000 0.871 2 E CB 0.307 30.015 29.700 0.013 0.000 1.022 2 E HN 0.687 nan 8.360 nan 0.000 0.418 3 Y N 3.860 124.153 120.300 -0.012 0.000 2.717 3 Y HA -0.044 4.507 4.550 0.000 0.000 0.330 3 Y C 0.462 176.349 175.900 -0.021 0.000 1.217 3 Y CA 0.561 58.657 58.100 -0.006 0.000 1.506 3 Y CB 0.780 39.237 38.460 -0.005 0.000 1.268 3 Y HN 0.582 nan 8.280 nan 0.000 0.561 4 Q N 3.811 123.249 119.800 -0.605 0.000 2.281 4 Q HA 0.013 4.353 4.340 0.000 0.000 0.215 4 Q C 0.391 175.988 176.000 -0.671 0.000 0.867 4 Q CA 0.436 55.941 55.803 -0.496 0.000 0.940 4 Q CB -0.038 28.552 28.738 -0.248 0.000 1.111 4 Q HN 0.893 nan 8.270 nan 0.000 0.513 5 N N 0.251 118.196 118.700 -1.258 0.000 2.741 5 N HA -0.162 4.578 4.740 0.000 0.000 0.250 5 N C 0.413 175.695 175.510 -0.380 0.000 1.115 5 N CA 0.382 52.982 53.050 -0.749 0.000 0.724 5 N CB -0.867 37.355 38.487 -0.443 0.000 1.090 5 N HN 0.192 nan 8.380 nan 0.000 0.558 6 I N -1.582 118.773 120.570 -0.357 0.000 2.339 6 I HA 0.021 4.191 4.170 0.000 0.000 0.245 6 I C 0.779 176.605 176.117 -0.485 0.000 1.096 6 I CA 1.217 62.262 61.300 -0.425 0.000 1.408 6 I CB -0.636 37.089 38.000 -0.459 0.000 1.092 6 I HN 0.003 nan 8.210 nan 0.000 0.423 7 F N 0.563 120.606 119.950 0.155 0.000 2.522 7 F HA 0.405 4.932 4.527 0.000 0.000 0.324 7 F C 0.802 176.817 175.800 0.359 0.000 1.077 7 F CA -0.899 57.269 58.000 0.280 0.000 0.944 7 F CB 1.153 40.313 39.000 0.267 0.000 1.175 7 F HN -0.280 nan 8.300 nan 0.000 0.468 8 S N 1.211 117.247 115.700 0.560 0.000 2.585 8 S HA 0.114 4.584 4.470 0.000 0.000 0.273 8 S C 0.802 175.677 174.600 0.458 0.000 1.339 8 S CA -0.633 57.831 58.200 0.439 0.000 1.028 8 S CB 1.138 64.502 63.200 0.272 0.000 0.906 8 S HN 0.704 nan 8.310 nan 0.000 0.528 9 Q N 0.191 120.115 119.800 0.206 0.000 2.250 9 Q HA 0.146 4.486 4.340 0.000 0.000 0.200 9 Q C -0.406 175.724 176.000 0.216 0.000 0.941 9 Q CA 0.632 56.514 55.803 0.132 0.000 0.872 9 Q CB 0.256 28.898 28.738 -0.159 0.000 0.965 9 Q HN 0.425 nan 8.270 nan 0.000 0.480 10 V N 1.431 121.423 119.914 0.129 0.000 2.612 10 V HA 0.204 4.324 4.120 0.000 0.000 0.301 10 V C -0.912 175.173 176.094 -0.016 0.000 1.059 10 V CA -0.831 61.504 62.300 0.058 0.000 0.886 10 V CB 1.882 33.709 31.823 0.007 0.000 1.007 10 V HN 0.106 nan 8.190 nan 0.000 0.426 11 Q N 2.584 122.314 119.800 -0.116 0.000 2.222 11 Q HA 0.770 5.110 4.340 0.000 0.000 0.252 11 Q C -0.614 175.316 176.000 -0.117 0.000 0.926 11 Q CA -0.691 55.011 55.803 -0.169 0.000 0.899 11 Q CB 2.672 31.203 28.738 -0.345 0.000 1.250 11 Q HN 0.762 nan 8.270 nan 0.000 0.441 12 V N -0.741 119.118 119.914 -0.092 0.000 2.823 12 V HA 0.758 4.878 4.120 0.000 0.000 0.312 12 V C -0.819 175.221 176.094 -0.091 0.000 1.072 12 V CA -1.046 61.205 62.300 -0.082 0.000 0.937 12 V CB 2.054 33.844 31.823 -0.054 0.000 1.013 12 V HN 0.791 nan 8.190 nan 0.000 0.430 13 R N 1.369 121.798 120.500 -0.118 0.000 2.750 13 R HA 0.844 5.185 4.340 0.000 0.000 0.281 13 R C -0.125 176.094 176.300 -0.134 0.000 0.972 13 R CA 0.119 56.124 56.100 -0.158 0.000 0.912 13 R CB 2.322 32.440 30.300 -0.304 0.000 1.187 13 R HN 1.234 nan 8.270 nan 0.000 0.464 14 G N 1.913 110.646 108.800 -0.112 0.000 2.975 14 G HA2 0.501 4.461 3.960 0.000 0.000 0.291 14 G HA3 0.501 4.461 3.960 0.000 0.000 0.291 14 G C -2.624 172.239 174.900 -0.062 0.000 1.334 14 G CA -1.068 43.985 45.100 -0.077 0.000 0.843 14 G HN 0.453 nan 8.290 nan 0.000 0.548 15 P HA 0.365 nan 4.420 nan 0.000 0.265 15 P C 0.258 177.615 177.300 0.095 0.000 1.187 15 P CA 0.120 63.230 63.100 0.017 0.000 0.766 15 P CB 0.474 32.183 31.700 0.015 0.000 0.820 16 A N 2.633 125.555 122.820 0.171 0.000 2.584 16 A HA -0.020 4.301 4.320 0.000 0.000 0.239 16 A C 0.508 178.167 177.584 0.125 0.000 1.043 16 A CA 0.319 52.513 52.037 0.262 0.000 0.756 16 A CB -0.309 18.827 19.000 0.226 0.000 0.963 16 A HN 0.534 nan 8.150 nan 0.000 0.511 17 D N 2.405 122.868 120.400 0.104 0.000 2.313 17 D HA 0.342 4.982 4.640 0.000 0.000 0.239 17 D C 0.638 176.948 176.300 0.017 0.000 1.142 17 D CA -0.096 53.932 54.000 0.047 0.000 0.847 17 D CB 0.817 41.640 40.800 0.039 0.000 1.082 17 D HN 0.477 nan 8.370 nan 0.000 0.480 18 L N 2.911 124.142 121.223 0.013 0.000 2.607 18 L HA 0.264 4.604 4.340 0.000 0.000 0.228 18 L C 1.440 178.308 176.870 -0.004 0.000 1.123 18 L CA 0.084 54.926 54.840 0.004 0.000 0.890 18 L CB -0.370 41.694 42.059 0.009 0.000 1.103 18 L HN 0.608 nan 8.230 nan 0.000 0.468 19 G N 0.486 109.282 108.800 -0.007 0.000 2.782 19 G HA2 -0.206 3.755 3.960 0.000 0.000 0.228 19 G HA3 -0.206 3.755 3.960 0.000 0.000 0.228 19 G C -0.314 174.573 174.900 -0.021 0.000 1.372 19 G CA -0.829 44.261 45.100 -0.018 0.000 0.862 19 G HN -0.116 nan 8.290 nan 0.000 0.547 20 M N 0.182 119.762 119.600 -0.033 0.000 2.241 20 M HA 0.349 4.829 4.480 0.000 0.000 0.335 20 M C 1.661 177.937 176.300 -0.040 0.000 1.122 20 M CA 0.378 55.656 55.300 -0.037 0.000 1.164 20 M CB 0.407 32.979 32.600 -0.048 0.000 1.459 20 M HN 0.682 nan 8.290 nan 0.000 0.461 21 T N -0.028 114.505 114.554 -0.035 0.000 2.980 21 T HA 0.033 4.383 4.350 0.000 0.000 0.239 21 T C 0.652 175.324 174.700 -0.045 0.000 1.011 21 T CA 0.138 62.219 62.100 -0.032 0.000 1.171 21 T CB 0.243 69.099 68.868 -0.020 0.000 0.873 21 T HN 0.606 nan 8.240 nan 0.000 0.431 22 E N 1.242 121.415 120.200 -0.045 0.000 3.439 22 E HA -0.224 4.126 4.350 0.000 0.000 0.385 22 E C 0.091 176.662 176.600 -0.049 0.000 1.557 22 E CA 1.742 58.111 56.400 -0.051 0.000 1.684 22 E CB -1.196 28.462 29.700 -0.070 0.000 1.677 22 E HN 0.367 nan 8.360 nan 0.000 0.455 23 D N 0.878 121.240 120.400 -0.063 0.000 2.336 23 D HA 0.192 4.832 4.640 0.000 0.000 0.228 23 D C -0.285 175.978 176.300 -0.061 0.000 1.120 23 D CA 0.081 54.048 54.000 -0.056 0.000 0.839 23 D CB 0.083 40.847 40.800 -0.060 0.000 0.932 23 D HN -0.029 nan 8.370 nan 0.000 0.509 24 V N 1.876 121.749 119.914 -0.069 0.000 2.521 24 V HA -0.023 4.097 4.120 0.000 0.000 0.286 24 V C 0.874 176.985 176.094 0.027 0.000 1.034 24 V CA -0.671 61.588 62.300 -0.068 0.000 1.045 24 V CB 0.709 32.474 31.823 -0.095 0.000 0.974 24 V HN 0.113 nan 8.190 nan 0.000 0.480 25 N N 4.878 123.637 118.700 0.098 0.000 2.412 25 N HA 0.046 4.786 4.740 0.000 0.000 0.279 25 N C 0.842 176.454 175.510 0.171 0.000 1.287 25 N CA 0.294 53.425 53.050 0.134 0.000 0.948 25 N CB 0.375 38.953 38.487 0.152 0.000 1.255 25 N HN 0.683 nan 8.380 nan 0.000 0.485 26 L N 2.335 123.608 121.223 0.085 0.000 2.362 26 L HA -0.123 4.217 4.340 0.000 0.000 0.219 26 L C 2.047 178.929 176.870 0.021 0.000 1.134 26 L CA 0.756 55.633 54.840 0.062 0.000 0.807 26 L CB -0.379 41.698 42.059 0.030 0.000 0.927 26 L HN 0.570 nan 8.230 nan 0.000 0.447 27 A N 0.220 123.041 122.820 0.002 0.000 1.972 27 A HA -0.180 4.140 4.320 0.000 0.000 0.219 27 A C 1.767 179.292 177.584 -0.098 0.000 1.169 27 A CA 1.529 53.543 52.037 -0.038 0.000 0.635 27 A CB -0.355 18.624 19.000 -0.035 0.000 0.810 27 A HN 0.418 nan 8.150 nan 0.000 0.446 28 N N -0.139 118.459 118.700 -0.169 0.000 2.383 28 N HA 0.050 4.791 4.740 0.000 0.000 0.192 28 N C -0.001 175.255 175.510 -0.423 0.000 1.141 28 N CA 0.219 53.009 53.050 -0.433 0.000 0.851 28 N CB 0.069 38.017 38.487 -0.898 0.000 0.976 28 N HN 0.428 nan 8.380 nan 0.000 0.465 29 R N 0.813 121.230 120.500 -0.138 0.000 2.312 29 R HA 0.197 4.537 4.340 0.000 0.000 0.311 29 R C 0.744 177.014 176.300 -0.049 0.000 1.004 29 R CA -0.245 55.832 56.100 -0.038 0.000 0.902 29 R CB 1.304 31.637 30.300 0.056 0.000 1.073 29 R HN 0.109 nan 8.270 nan 0.000 0.457 30 S N 1.659 117.332 115.700 -0.045 0.000 2.658 30 S HA 0.149 4.619 4.470 0.000 0.000 0.249 30 S C 0.642 175.229 174.600 -0.021 0.000 1.363 30 S CA -0.147 58.033 58.200 -0.033 0.000 0.964 30 S CB 0.665 63.848 63.200 -0.028 0.000 0.973 30 S HN 0.643 nan 8.310 nan 0.000 0.588 31 G N -0.871 107.918 108.800 -0.019 0.000 2.552 31 G HA2 0.559 4.519 3.960 0.000 0.000 0.318 31 G HA3 0.559 4.519 3.960 0.000 0.000 0.318 31 G C 0.057 174.941 174.900 -0.026 0.000 1.240 31 G CA -0.529 44.562 45.100 -0.014 0.000 1.002 31 G HN 1.527 nan 8.290 nan 0.000 0.493 32 V N -0.906 118.989 119.914 -0.030 0.000 2.999 32 V HA 0.564 4.684 4.120 0.000 0.000 0.307 32 V C 1.132 177.176 176.094 -0.082 0.000 1.084 32 V CA 0.005 62.257 62.300 -0.079 0.000 1.155 32 V CB 0.212 31.973 31.823 -0.103 0.000 0.975 32 V HN 0.958 nan 8.190 nan 0.000 0.490 33 G N 2.795 111.515 108.800 -0.132 0.000 2.509 33 G HA2 0.588 4.548 3.960 0.000 0.000 0.269 33 G HA3 0.588 4.548 3.960 0.000 0.000 0.269 33 G C -2.228 172.595 174.900 -0.129 0.000 1.416 33 G CA -0.944 44.094 45.100 -0.104 0.000 1.052 33 G HN 0.850 nan 8.290 nan 0.000 0.542 34 P HA 0.276 nan 4.420 nan 0.000 0.274 34 P C -1.222 176.015 177.300 -0.105 0.000 1.256 34 P CA -0.217 62.879 63.100 -0.007 0.000 0.795 34 P CB 0.702 32.417 31.700 0.025 0.000 1.038 35 F N -0.293 119.650 119.950 -0.011 0.000 2.420 35 F HA 0.278 4.805 4.527 0.000 0.000 0.342 35 F C 1.236 177.023 175.800 -0.022 0.000 1.113 35 F CA -0.094 57.894 58.000 -0.021 0.000 1.059 35 F CB 1.428 40.409 39.000 -0.032 0.000 1.128 35 F HN 0.106 nan 8.300 nan 0.000 0.475 36 S N 2.304 118.076 115.700 0.119 0.000 2.474 36 S HA 0.176 4.646 4.470 0.000 0.000 0.320 36 S C 0.963 175.586 174.600 0.039 0.000 1.067 36 S CA -0.514 57.729 58.200 0.072 0.000 1.127 36 S CB 0.619 63.847 63.200 0.047 0.000 0.971 36 S HN 0.762 nan 8.310 nan 0.000 0.472 37 T N 5.327 119.887 114.554 0.010 0.000 2.759 37 T HA -0.132 4.218 4.350 0.000 0.000 0.269 37 T C 1.723 176.336 174.700 -0.145 0.000 1.042 37 T CA 1.649 63.677 62.100 -0.119 0.000 1.140 37 T CB -0.323 68.501 68.868 -0.073 0.000 0.864 37 T HN 0.596 nan 8.240 nan 0.000 0.455 38 L N 0.717 121.982 121.223 0.070 0.000 1.994 38 L HA -0.023 4.317 4.340 0.000 0.000 0.208 38 L C 2.120 179.126 176.870 0.226 0.000 1.071 38 L CA 1.549 56.527 54.840 0.231 0.000 0.745 38 L CB -0.721 41.444 42.059 0.176 0.000 0.892 38 L HN 0.116 nan 8.230 nan 0.000 0.431 39 L N 0.265 121.568 121.223 0.134 0.000 2.081 39 L HA -0.122 4.218 4.340 0.000 0.000 0.212 39 L C 2.384 179.356 176.870 0.170 0.000 1.080 39 L CA 2.003 56.937 54.840 0.156 0.000 0.754 39 L CB -1.715 40.402 42.059 0.097 0.000 0.893 39 L HN 0.451 nan 8.230 nan 0.000 0.433 40 G N -2.830 105.982 108.800 0.021 0.000 2.679 40 G HA2 -0.235 3.725 3.960 0.000 0.000 0.212 40 G HA3 -0.235 3.725 3.960 0.000 0.000 0.212 40 G C 1.192 176.039 174.900 -0.088 0.000 1.137 40 G CA 0.067 45.125 45.100 -0.069 0.000 0.787 40 G HN 0.487 nan 8.290 nan 0.000 0.534 41 W N -1.253 120.169 121.300 0.202 0.000 2.595 41 W HA 0.264 4.924 4.660 0.000 0.000 0.257 41 W C 1.751 178.533 176.519 0.438 0.000 1.267 41 W CA -0.305 57.202 57.345 0.270 0.000 1.300 41 W CB -0.037 29.546 29.460 0.205 0.000 1.120 41 W HN 0.194 nan 8.180 nan 0.000 0.618 42 F N -1.278 118.905 119.950 0.387 0.000 2.531 42 F HA 0.452 4.979 4.527 0.000 0.000 0.273 42 F C 1.508 177.383 175.800 0.124 0.000 0.960 42 F CA 1.117 59.282 58.000 0.276 0.000 1.207 42 F CB -0.300 38.870 39.000 0.284 0.000 1.012 42 F HN -0.262 nan 8.300 nan 0.000 0.738 43 G N -0.364 108.560 108.800 0.206 0.000 3.247 43 G HA2 0.209 4.169 3.960 0.000 0.000 0.199 43 G HA3 0.209 4.169 3.960 0.000 0.000 0.199 43 G C -1.226 173.711 174.900 0.062 0.000 1.172 43 G CA -0.727 44.411 45.100 0.063 0.000 0.844 43 G HN -0.050 nan 8.290 nan 0.000 0.619 44 N N 0.609 119.335 118.700 0.044 0.000 2.513 44 N HA 0.351 5.092 4.740 0.000 0.000 0.268 44 N C 1.156 176.690 175.510 0.040 0.000 1.180 44 N CA 0.430 53.500 53.050 0.033 0.000 0.948 44 N CB 1.684 40.181 38.487 0.016 0.000 1.083 44 N HN 0.523 nan 8.380 nan 0.000 0.455 45 A N 2.582 125.436 122.820 0.056 0.000 2.016 45 A HA -0.106 4.214 4.320 0.000 0.000 0.217 45 A C 1.013 178.606 177.584 0.015 0.000 1.162 45 A CA 0.671 52.759 52.037 0.086 0.000 0.662 45 A CB -0.244 18.856 19.000 0.166 0.000 0.812 45 A HN 0.768 nan 8.150 nan 0.000 0.450 46 Q N 0.650 120.403 119.800 -0.078 0.000 2.313 46 Q HA 0.353 4.694 4.340 0.000 0.000 0.266 46 Q C -1.058 174.751 176.000 -0.318 0.000 0.989 46 Q CA -0.195 55.332 55.803 -0.460 0.000 0.890 46 Q CB 0.382 28.888 28.738 -0.387 0.000 1.200 46 Q HN 0.304 nan 8.270 nan 0.000 0.396 47 L N 3.658 124.645 121.223 -0.392 0.000 2.322 47 L HA 0.535 4.875 4.340 0.000 0.000 0.279 47 L C 0.926 177.671 176.870 -0.209 0.000 1.036 47 L CA 0.833 55.542 54.840 -0.217 0.000 0.807 47 L CB 0.601 42.565 42.059 -0.158 0.000 1.226 47 L HN 1.066 nan 8.230 nan 0.000 0.433 48 G N 4.380 113.107 108.800 -0.122 0.000 2.726 48 G HA2 -0.192 3.768 3.960 0.000 0.000 0.261 48 G HA3 -0.192 3.768 3.960 0.000 0.000 0.261 48 G C -2.578 172.264 174.900 -0.097 0.000 1.352 48 G CA -0.682 44.364 45.100 -0.089 0.000 0.906 48 G HN 0.479 nan 8.290 nan 0.000 0.566 49 P HA 0.491 nan 4.420 nan 0.000 0.274 49 P C 0.076 177.370 177.300 -0.010 0.000 1.260 49 P CA -0.281 62.800 63.100 -0.032 0.000 0.793 49 P CB 0.937 32.629 31.700 -0.014 0.000 1.048 50 I N -0.421 120.153 120.570 0.007 0.000 2.910 50 I HA 0.408 4.578 4.170 0.000 0.000 0.310 50 I C -1.082 175.078 176.117 0.073 0.000 1.043 50 I CA -1.490 59.833 61.300 0.038 0.000 1.053 50 I CB 1.939 39.960 38.000 0.036 0.000 1.242 50 I HN 0.225 nan 8.210 nan 0.000 0.452 51 Y N 5.282 125.549 120.300 -0.054 0.000 2.341 51 Y HA 0.373 4.923 4.550 0.000 0.000 0.337 51 Y C -0.620 175.246 175.900 -0.056 0.000 1.014 51 Y CA -0.517 57.544 58.100 -0.065 0.000 1.111 51 Y CB 1.080 39.483 38.460 -0.095 0.000 1.194 51 Y HN 0.397 nan 8.280 nan 0.000 0.462 52 L N 3.590 124.530 121.223 -0.471 0.000 2.540 52 L HA 0.620 4.960 4.340 0.000 0.000 0.188 52 L C 1.071 177.731 176.870 -0.351 0.000 1.294 52 L CA 0.841 55.503 54.840 -0.296 0.000 2.669 52 L CB -1.461 40.448 42.059 -0.250 0.000 2.507 52 L HN 0.911 nan 8.230 nan 0.000 1.090 53 G N -0.869 107.706 108.800 -0.375 0.000 2.814 53 G HA2 -0.213 3.747 3.960 0.000 0.000 0.677 53 G HA3 -0.213 3.747 3.960 0.000 0.000 0.677 53 G C 0.612 175.476 174.900 -0.059 0.000 1.429 53 G CA 0.031 45.012 45.100 -0.197 0.000 0.868 53 G HN 0.328 nan 8.290 nan 0.000 0.553 54 S N -0.254 115.437 115.700 -0.015 0.000 2.355 54 S HA -0.029 4.441 4.470 0.000 0.000 0.222 54 S C 2.581 177.204 174.600 0.038 0.000 1.031 54 S CA 1.497 59.702 58.200 0.008 0.000 0.993 54 S CB -0.246 62.962 63.200 0.012 0.000 0.859 54 S HN 0.521 nan 8.310 nan 0.000 0.453 55 L N 1.086 122.337 121.223 0.047 0.000 2.046 55 L HA -0.118 4.222 4.340 0.000 0.000 0.208 55 L C 2.718 179.633 176.870 0.076 0.000 1.077 55 L CA 1.367 56.245 54.840 0.062 0.000 0.747 55 L CB -1.296 40.785 42.059 0.036 0.000 0.896 55 L HN 0.453 nan 8.230 nan 0.000 0.432 56 G N -0.464 108.365 108.800 0.049 0.000 2.514 56 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 56 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 56 G C 1.587 176.565 174.900 0.130 0.000 1.198 56 G CA 1.073 46.216 45.100 0.072 0.000 0.780 56 G HN 0.214 nan 8.290 nan 0.000 0.565 57 V N 0.717 120.683 119.914 0.086 0.000 2.295 57 V HA -0.149 3.971 4.120 0.000 0.000 0.246 57 V C 2.711 178.900 176.094 0.159 0.000 1.049 57 V CA 1.739 64.097 62.300 0.097 0.000 1.024 57 V CB -0.534 31.309 31.823 0.033 0.000 0.648 57 V HN 0.362 nan 8.190 nan 0.000 0.447 58 L N 0.235 121.546 121.223 0.146 0.000 1.971 58 L HA -0.206 4.134 4.340 0.000 0.000 0.215 58 L C 2.662 179.681 176.870 0.247 0.000 1.072 58 L CA 2.646 57.607 54.840 0.202 0.000 0.758 58 L CB -1.091 41.065 42.059 0.163 0.000 0.889 58 L HN 0.352 nan 8.230 nan 0.000 0.433 59 S N -1.141 114.693 115.700 0.223 0.000 2.353 59 S HA -0.235 4.235 4.470 0.000 0.000 0.222 59 S C 2.088 176.801 174.600 0.187 0.000 1.035 59 S CA 1.852 60.197 58.200 0.241 0.000 1.025 59 S CB -0.605 62.825 63.200 0.385 0.000 0.902 59 S HN 0.437 nan 8.310 nan 0.000 0.440 60 L N 0.292 121.641 121.223 0.209 0.000 2.012 60 L HA -0.020 4.320 4.340 0.000 0.000 0.210 60 L C 2.173 179.109 176.870 0.110 0.000 1.073 60 L CA 2.150 57.069 54.840 0.132 0.000 0.748 60 L CB -0.676 41.477 42.059 0.156 0.000 0.891 60 L HN 0.527 nan 8.230 nan 0.000 0.431 61 F N -1.058 118.913 119.950 0.036 0.000 2.134 61 F HA -0.214 4.313 4.527 0.000 0.000 0.299 61 F C 2.704 178.485 175.800 -0.031 0.000 1.097 61 F CA 1.743 59.752 58.000 0.015 0.000 1.264 61 F CB -0.632 38.385 39.000 0.029 0.000 1.001 61 F HN 0.111 nan 8.300 nan 0.000 0.479 62 S N -0.034 115.631 115.700 -0.058 0.000 2.382 62 S HA -0.080 4.390 4.470 0.000 0.000 0.228 62 S C 2.306 176.822 174.600 -0.139 0.000 1.027 62 S CA 1.305 59.421 58.200 -0.140 0.000 0.991 62 S CB -1.174 62.107 63.200 0.134 0.000 0.823 62 S HN 0.597 nan 8.310 nan 0.000 0.469 63 G N 1.253 110.001 108.800 -0.085 0.000 2.408 63 G HA2 -0.072 3.889 3.960 0.000 0.000 0.217 63 G HA3 -0.072 3.889 3.960 0.000 0.000 0.217 63 G C 1.374 176.240 174.900 -0.056 0.000 1.150 63 G CA 0.742 45.806 45.100 -0.060 0.000 0.776 63 G HN 0.513 nan 8.290 nan 0.000 0.542 64 L N -0.046 121.049 121.223 -0.213 0.000 2.056 64 L HA -0.038 4.302 4.340 0.000 0.000 0.207 64 L C 3.028 179.666 176.870 -0.385 0.000 1.078 64 L CA 0.579 55.191 54.840 -0.379 0.000 0.749 64 L CB -0.358 41.554 42.059 -0.245 0.000 0.901 64 L HN 0.089 nan 8.230 nan 0.000 0.433 65 M N -1.007 118.310 119.600 -0.471 0.000 2.106 65 M HA -0.266 4.214 4.480 0.000 0.000 0.259 65 M C 2.113 178.277 176.300 -0.226 0.000 1.068 65 M CA 1.783 56.719 55.300 -0.606 0.000 1.100 65 M CB -1.331 30.296 32.600 -1.622 0.000 1.351 65 M HN 0.457 nan 8.290 nan 0.000 0.404 66 W N 0.507 121.659 121.300 -0.247 0.000 2.333 66 W HA -0.286 4.374 4.660 0.000 0.000 0.316 66 W C 2.279 178.703 176.519 -0.158 0.000 1.215 66 W CA 1.666 58.946 57.345 -0.109 0.000 1.278 66 W CB -1.005 28.377 29.460 -0.130 0.000 1.154 66 W HN 0.194 nan 8.180 nan 0.000 0.486 67 F N -0.248 119.398 119.950 -0.506 0.000 2.171 67 F HA -0.114 4.413 4.527 0.000 0.000 0.300 67 F C 2.078 177.549 175.800 -0.550 0.000 1.090 67 F CA 1.907 59.433 58.000 -0.791 0.000 1.293 67 F CB -0.950 37.633 39.000 -0.696 0.000 1.013 67 F HN -0.112 nan 8.300 nan 0.000 0.486 68 F N -0.739 119.076 119.950 -0.226 0.000 2.234 68 F HA -0.140 4.388 4.527 0.000 0.000 0.296 68 F C 2.358 178.050 175.800 -0.180 0.000 1.089 68 F CA 1.082 58.955 58.000 -0.211 0.000 1.343 68 F CB -0.883 38.060 39.000 -0.094 0.000 1.040 68 F HN -0.229 nan 8.300 nan 0.000 0.498 69 T N 0.989 115.555 114.554 0.019 0.000 2.759 69 T HA -0.199 4.151 4.350 0.000 0.000 0.269 69 T C 1.878 176.533 174.700 -0.074 0.000 1.042 69 T CA 1.439 63.553 62.100 0.024 0.000 1.140 69 T CB -0.405 68.510 68.868 0.079 0.000 0.864 69 T HN 0.200 nan 8.240 nan 0.000 0.455 70 I N 0.921 121.284 120.570 -0.345 0.000 2.333 70 I HA 0.011 4.182 4.170 0.000 0.000 0.246 70 I C 2.915 178.726 176.117 -0.510 0.000 1.106 70 I CA 1.055 62.069 61.300 -0.475 0.000 1.411 70 I CB -0.628 36.856 38.000 -0.860 0.000 1.082 70 I HN 0.284 nan 8.210 nan 0.000 0.420 71 G N 1.382 109.891 108.800 -0.486 0.000 2.422 71 G HA2 -0.192 3.768 3.960 0.000 0.000 0.218 71 G HA3 -0.192 3.768 3.960 0.000 0.000 0.218 71 G C 1.583 176.608 174.900 0.209 0.000 1.146 71 G CA 0.461 45.428 45.100 -0.221 0.000 0.769 71 G HN 0.125 nan 8.290 nan 0.000 0.547 72 I N 0.058 120.758 120.570 0.217 0.000 2.127 72 I HA -0.136 4.034 4.170 0.000 0.000 0.241 72 I C 2.379 178.677 176.117 0.301 0.000 1.075 72 I CA 0.297 61.778 61.300 0.302 0.000 1.334 72 I CB -1.284 36.868 38.000 0.254 0.000 1.040 72 I HN 0.453 nan 8.210 nan 0.000 0.405 73 W N 0.824 122.192 121.300 0.113 0.000 2.321 73 W HA -0.319 4.341 4.660 0.000 0.000 0.306 73 W C 2.435 179.065 176.519 0.186 0.000 1.217 73 W CA 1.311 58.757 57.345 0.168 0.000 1.257 73 W CB -0.383 29.197 29.460 0.199 0.000 1.145 73 W HN 0.036 nan 8.180 nan 0.000 0.509 74 F N -0.431 119.435 119.950 -0.141 0.000 2.069 74 F HA -0.167 4.361 4.527 0.000 0.000 0.298 74 F C 2.154 177.452 175.800 -0.837 0.000 1.113 74 F CA 1.377 58.994 58.000 -0.638 0.000 1.214 74 F CB -1.734 36.999 39.000 -0.446 0.000 0.978 74 F HN -0.091 nan 8.300 nan 0.000 0.474 75 W N -1.074 120.119 121.300 -0.178 0.000 2.317 75 W HA -0.300 4.360 4.660 0.000 0.000 0.318 75 W C 2.655 178.543 176.519 -1.052 0.000 1.227 75 W CA 1.994 59.058 57.345 -0.468 0.000 1.269 75 W CB -1.325 27.875 29.460 -0.434 0.000 1.155 75 W HN 0.077 nan 8.180 nan 0.000 0.484 76 Y N 1.274 120.938 120.300 -1.061 0.000 2.102 76 Y HA -0.382 4.168 4.550 0.000 0.000 0.280 76 Y C 2.409 177.799 175.900 -0.851 0.000 1.178 76 Y CA 2.460 59.873 58.100 -1.145 0.000 1.146 76 Y CB -0.869 37.199 38.460 -0.654 0.000 0.968 76 Y HN 0.060 nan 8.280 nan 0.000 0.504 77 Q N -0.699 118.556 119.800 -0.907 0.000 2.291 77 Q HA -0.123 4.218 4.340 0.000 0.000 0.206 77 Q C 2.108 177.798 176.000 -0.516 0.000 0.976 77 Q CA 0.995 56.339 55.803 -0.765 0.000 0.875 77 Q CB -0.251 28.089 28.738 -0.664 0.000 0.927 77 Q HN 0.616 nan 8.270 nan 0.000 0.450 78 A N 0.034 122.495 122.820 -0.599 0.000 2.251 78 A HA 0.271 4.591 4.320 0.000 0.000 0.209 78 A C 1.395 178.861 177.584 -0.197 0.000 1.187 78 A CA 0.640 52.532 52.037 -0.240 0.000 0.823 78 A CB -0.268 18.630 19.000 -0.171 0.000 0.846 78 A HN 0.410 nan 8.150 nan 0.000 0.486 79 G N -2.128 106.430 108.800 -0.404 0.000 2.249 79 G HA2 -0.307 3.653 3.960 0.000 0.000 0.273 79 G HA3 -0.307 3.653 3.960 0.000 0.000 0.273 79 G C 0.298 175.205 174.900 0.012 0.000 1.036 79 G CA 0.290 45.236 45.100 -0.257 0.000 0.824 79 G HN 1.130 nan 8.290 nan 0.000 0.504 80 W N -2.523 118.846 121.300 0.114 0.000 3.160 80 W HA -0.199 4.462 4.660 0.000 0.000 0.299 80 W C 0.657 177.324 176.519 0.248 0.000 1.141 80 W CA 0.285 57.752 57.345 0.204 0.000 0.612 80 W CB -1.897 27.596 29.460 0.054 0.000 2.186 80 W HN 0.591 nan 8.180 nan 0.000 1.364 81 N N 1.118 120.028 118.700 0.350 0.000 2.462 81 N HA 0.191 4.931 4.740 0.000 0.000 0.242 81 N C -1.039 174.672 175.510 0.335 0.000 1.010 81 N CA -1.808 51.409 53.050 0.280 0.000 0.939 81 N CB 1.325 39.906 38.487 0.155 0.000 1.127 81 N HN -0.242 nan 8.380 nan 0.000 0.509 82 P HA -0.166 nan 4.420 nan 0.000 0.216 82 P C 0.731 178.165 177.300 0.223 0.000 1.154 82 P CA 1.487 64.814 63.100 0.379 0.000 0.865 82 P CB 0.291 32.168 31.700 0.294 0.000 0.789 83 A N -1.191 121.725 122.820 0.161 0.000 1.970 83 A HA -0.063 4.257 4.320 0.000 0.000 0.216 83 A C 2.321 179.947 177.584 0.070 0.000 1.170 83 A CA 1.227 53.324 52.037 0.099 0.000 0.645 83 A CB -1.372 17.668 19.000 0.067 0.000 0.816 83 A HN 0.043 nan 8.150 nan 0.000 0.447 84 V N -1.220 118.747 119.914 0.088 0.000 2.379 84 V HA -0.185 3.935 4.120 0.000 0.000 0.245 84 V C 2.171 178.333 176.094 0.114 0.000 1.044 84 V CA 1.832 64.167 62.300 0.059 0.000 1.036 84 V CB -0.934 30.926 31.823 0.062 0.000 0.664 84 V HN 0.608 nan 8.190 nan 0.000 0.453 85 F N 0.659 120.589 119.950 -0.034 0.000 2.045 85 F HA -0.301 4.226 4.527 0.000 0.000 0.297 85 F C 2.090 177.874 175.800 -0.027 0.000 1.114 85 F CA 2.111 60.041 58.000 -0.117 0.000 1.207 85 F CB -0.316 38.249 39.000 -0.725 0.000 0.964 85 F HN 0.029 nan 8.300 nan 0.000 0.486 86 L N -0.373 120.870 121.223 0.033 0.000 2.056 86 L HA -0.195 4.146 4.340 0.000 0.000 0.207 86 L C 2.694 179.444 176.870 -0.200 0.000 1.078 86 L CA 1.586 56.376 54.840 -0.084 0.000 0.749 86 L CB -0.776 41.297 42.059 0.022 0.000 0.901 86 L HN 0.142 nan 8.230 nan 0.000 0.433 87 R N 0.320 120.728 120.500 -0.154 0.000 2.091 87 R HA -0.177 4.163 4.340 0.000 0.000 0.238 87 R C 0.712 176.831 176.300 -0.302 0.000 1.136 87 R CA 1.910 57.893 56.100 -0.195 0.000 0.959 87 R CB 0.024 30.229 30.300 -0.157 0.000 0.856 87 R HN 0.282 nan 8.270 nan 0.000 0.437 88 D N 0.058 120.186 120.400 -0.453 0.000 2.424 88 D HA 0.009 4.649 4.640 0.000 0.000 0.220 88 D C 1.140 176.765 176.300 -1.125 0.000 1.150 88 D CA -0.122 53.417 54.000 -0.768 0.000 0.831 88 D CB 0.514 40.680 40.800 -1.057 0.000 0.981 88 D HN 0.105 nan 8.370 nan 0.000 0.500 89 L N 0.112 120.914 121.223 -0.701 0.000 2.043 89 L HA -0.166 4.174 4.340 0.000 0.000 0.212 89 L C 1.388 178.106 176.870 -0.253 0.000 1.075 89 L CA 1.719 56.266 54.840 -0.489 0.000 0.752 89 L CB -0.368 41.431 42.059 -0.433 0.000 0.891 89 L HN -0.007 nan 8.230 nan 0.000 0.432 90 F N -1.876 117.722 119.950 -0.587 0.000 2.780 90 F HA 0.073 4.600 4.527 0.000 0.000 0.299 90 F C 1.841 177.054 175.800 -0.978 0.000 1.146 90 F CA 0.096 57.518 58.000 -0.964 0.000 1.428 90 F CB -1.035 36.918 39.000 -1.746 0.000 1.115 90 F HN 0.068 nan 8.300 nan 0.000 0.583 91 F N -1.938 117.706 119.950 -0.509 0.000 2.714 91 F HA 0.130 4.657 4.527 0.000 0.000 0.294 91 F C 0.731 176.306 175.800 -0.376 0.000 1.120 91 F CA -0.438 57.368 58.000 -0.323 0.000 1.398 91 F CB -0.441 38.359 39.000 -0.332 0.000 1.120 91 F HN -0.353 nan 8.300 nan 0.000 0.589 92 F N 0.918 120.670 119.950 -0.330 0.000 2.506 92 F HA 0.320 4.847 4.527 0.000 0.000 0.351 92 F C 0.702 176.233 175.800 -0.448 0.000 1.136 92 F CA -0.603 56.980 58.000 -0.695 0.000 1.298 92 F CB 0.389 38.319 39.000 -1.785 0.000 1.145 92 F HN -0.304 nan 8.300 nan 0.000 0.593 93 S N 2.858 118.682 115.700 0.208 0.000 2.566 93 S HA 0.538 5.008 4.470 0.000 0.000 0.273 93 S C -1.845 173.189 174.600 0.722 0.000 1.157 93 S CA -0.744 57.744 58.200 0.480 0.000 0.938 93 S CB 0.880 64.288 63.200 0.346 0.000 1.087 93 S HN 0.545 nan 8.310 nan 0.000 0.474 94 L N 4.814 126.467 121.223 0.717 0.000 2.255 94 L HA 0.632 4.972 4.340 0.000 0.000 0.289 94 L C -0.363 176.741 176.870 0.391 0.000 1.046 94 L CA 0.251 55.344 54.840 0.421 0.000 0.816 94 L CB 0.771 43.054 42.059 0.374 0.000 1.197 94 L HN 0.659 nan 8.230 nan 0.000 0.427 95 E N 6.728 127.039 120.200 0.185 0.000 2.214 95 E HA 0.496 4.846 4.350 0.000 0.000 0.274 95 E C -2.492 173.969 176.600 -0.231 0.000 0.977 95 E CA -1.850 54.573 56.400 0.037 0.000 0.827 95 E CB 1.229 30.973 29.700 0.074 0.000 1.130 95 E HN 0.448 nan 8.360 nan 0.000 0.394 96 P HA 0.204 nan 4.420 nan 0.000 0.275 96 P C -2.531 174.529 177.300 -0.401 0.000 1.266 96 P CA -1.334 61.069 63.100 -1.160 0.000 0.793 96 P CB -0.604 30.131 31.700 -1.609 0.000 1.074 97 P HA 0.064 nan 4.420 nan 0.000 0.270 97 P C -0.259 177.078 177.300 0.061 0.000 1.227 97 P CA 0.228 63.324 63.100 -0.007 0.000 0.788 97 P CB -0.014 31.730 31.700 0.073 0.000 0.926 98 A N 3.177 126.119 122.820 0.205 0.000 2.332 98 A HA 0.323 4.644 4.320 0.000 0.000 0.258 98 A C -1.345 176.285 177.584 0.076 0.000 1.087 98 A CA -0.981 51.124 52.037 0.115 0.000 0.802 98 A CB -1.055 18.004 19.000 0.098 0.000 1.042 98 A HN 0.405 nan 8.150 nan 0.000 0.489 99 P HA -0.180 nan 4.420 nan 0.000 0.217 99 P C 0.771 178.028 177.300 -0.072 0.000 1.148 99 P CA 1.652 64.731 63.100 -0.034 0.000 0.828 99 P CB 0.111 31.781 31.700 -0.050 0.000 0.783 100 E N -1.559 118.549 120.200 -0.153 0.000 2.160 100 E HA -0.198 4.153 4.350 0.000 0.000 0.195 100 E C 1.603 178.041 176.600 -0.270 0.000 0.991 100 E CA 1.193 57.434 56.400 -0.265 0.000 0.810 100 E CB -1.017 28.433 29.700 -0.417 0.000 0.742 100 E HN 0.489 nan 8.360 nan 0.000 0.466 101 Y N 0.019 120.311 120.300 -0.013 0.000 2.583 101 Y HA 0.049 4.599 4.550 0.000 0.000 0.293 101 Y C 1.843 177.724 175.900 -0.032 0.000 1.157 101 Y CA 0.109 58.208 58.100 -0.001 0.000 1.315 101 Y CB -0.226 38.252 38.460 0.029 0.000 1.021 101 Y HN 0.126 nan 8.280 nan 0.000 0.536 102 G N 1.099 109.919 108.800 0.032 0.000 2.651 102 G HA2 -0.377 3.583 3.960 0.000 0.000 0.315 102 G HA3 -0.377 3.583 3.960 0.000 0.000 0.315 102 G C 0.602 175.380 174.900 -0.204 0.000 1.258 102 G CA 0.807 45.853 45.100 -0.090 0.000 1.002 102 G HN 0.292 nan 8.290 nan 0.000 0.551 103 L N 1.901 122.936 121.223 -0.313 0.000 2.628 103 L HA 0.345 4.685 4.340 0.000 0.000 0.229 103 L C 1.792 178.551 176.870 -0.186 0.000 1.137 103 L CA 0.589 55.066 54.840 -0.605 0.000 0.909 103 L CB 0.101 41.768 42.059 -0.654 0.000 1.137 103 L HN 0.657 nan 8.230 nan 0.000 0.470 104 S N -0.750 114.938 115.700 -0.020 0.000 2.585 104 S HA 0.165 4.636 4.470 0.000 0.000 0.273 104 S C 0.244 174.838 174.600 -0.010 0.000 1.339 104 S CA -0.279 57.956 58.200 0.058 0.000 1.028 104 S CB 0.484 63.769 63.200 0.141 0.000 0.906 104 S HN 0.168 nan 8.310 nan 0.000 0.528 105 F N 1.064 121.115 119.950 0.168 0.000 2.701 105 F HA 0.431 4.958 4.527 0.000 0.000 0.295 105 F C 1.671 177.467 175.800 -0.008 0.000 1.165 105 F CA -0.124 57.918 58.000 0.070 0.000 1.399 105 F CB -0.420 38.601 39.000 0.034 0.000 0.996 105 F HN 0.779 nan 8.300 nan 0.000 0.513 106 A N -0.025 122.855 122.820 0.099 0.000 2.345 106 A HA 0.627 4.947 4.320 0.000 0.000 0.225 106 A C 1.267 178.748 177.584 -0.172 0.000 1.243 106 A CA 0.064 52.122 52.037 0.034 0.000 0.875 106 A CB -0.517 18.554 19.000 0.117 0.000 0.929 106 A HN 0.168 nan 8.150 nan 0.000 0.502 107 A N 1.238 123.802 122.820 -0.426 0.000 2.388 107 A HA 0.569 4.889 4.320 0.000 0.000 0.257 107 A C -2.421 174.952 177.584 -0.352 0.000 1.095 107 A CA -1.153 50.370 52.037 -0.857 0.000 0.791 107 A CB -0.309 18.123 19.000 -0.947 0.000 1.029 107 A HN 0.232 nan 8.150 nan 0.000 0.489 108 P HA 0.091 nan 4.420 nan 0.000 0.269 108 P C 1.134 178.389 177.300 -0.076 0.000 1.209 108 P CA -0.359 62.690 63.100 -0.085 0.000 0.776 108 P CB 0.431 32.128 31.700 -0.005 0.000 0.876 109 L N 1.710 122.909 121.223 -0.040 0.000 2.010 109 L HA -0.276 4.064 4.340 0.000 0.000 0.219 109 L C 1.860 178.681 176.870 -0.082 0.000 1.077 109 L CA 2.000 56.814 54.840 -0.044 0.000 0.773 109 L CB -0.567 41.489 42.059 -0.005 0.000 0.892 109 L HN 0.515 nan 8.230 nan 0.000 0.436 110 K N -0.457 119.939 120.400 -0.007 0.000 2.525 110 K HA -0.027 4.294 4.320 0.000 0.000 0.192 110 K C 0.401 177.009 176.600 0.013 0.000 1.029 110 K CA 0.478 56.801 56.287 0.060 0.000 1.029 110 K CB 0.179 32.833 32.500 0.256 0.000 0.814 110 K HN 0.397 nan 8.250 nan 0.000 0.503 111 E N -0.650 119.531 120.200 -0.031 0.000 3.306 111 E HA 0.137 4.487 4.350 0.000 0.000 0.197 111 E C 0.261 176.823 176.600 -0.063 0.000 0.980 111 E CA -0.156 56.246 56.400 0.004 0.000 1.259 111 E CB 1.410 31.162 29.700 0.086 0.000 1.112 111 E HN 0.355 nan 8.360 nan 0.000 0.458 112 G N 0.018 108.753 108.800 -0.110 0.000 2.797 112 G HA2 -0.227 3.733 3.960 0.000 0.000 0.195 112 G HA3 -0.227 3.733 3.960 0.000 0.000 0.195 112 G C 1.135 176.030 174.900 -0.008 0.000 1.026 112 G CA -0.139 44.921 45.100 -0.066 0.000 0.759 112 G HN 0.386 nan 8.290 nan 0.000 0.475 113 G N 0.859 109.616 108.800 -0.072 0.000 2.440 113 G HA2 0.031 3.991 3.960 0.000 0.000 0.218 113 G HA3 0.031 3.991 3.960 0.000 0.000 0.218 113 G C 1.725 176.616 174.900 -0.015 0.000 1.154 113 G CA 1.635 46.710 45.100 -0.041 0.000 0.767 113 G HN 0.572 nan 8.290 nan 0.000 0.552 114 L N -0.651 120.540 121.223 -0.053 0.000 2.093 114 L HA 0.110 4.450 4.340 0.000 0.000 0.208 114 L C 2.335 179.215 176.870 0.017 0.000 1.085 114 L CA 1.045 55.853 54.840 -0.053 0.000 0.755 114 L CB -0.940 41.017 42.059 -0.170 0.000 0.904 114 L HN 0.528 nan 8.230 nan 0.000 0.435 115 W N -0.219 121.010 121.300 -0.118 0.000 2.338 115 W HA -0.238 4.423 4.660 0.000 0.000 0.304 115 W C 2.264 178.817 176.519 0.057 0.000 1.212 115 W CA 1.668 59.031 57.345 0.031 0.000 1.264 115 W CB -0.145 29.308 29.460 -0.011 0.000 1.142 115 W HN 0.085 nan 8.180 nan 0.000 0.512 116 L N 0.124 121.458 121.223 0.186 0.000 2.083 116 L HA -0.228 4.112 4.340 0.000 0.000 0.209 116 L C 2.380 179.179 176.870 -0.119 0.000 1.083 116 L CA 1.364 56.184 54.840 -0.033 0.000 0.752 116 L CB -0.723 41.344 42.059 0.014 0.000 0.899 116 L HN 0.038 nan 8.230 nan 0.000 0.433 117 I N -0.426 120.086 120.570 -0.097 0.000 2.252 117 I HA -0.251 3.919 4.170 0.000 0.000 0.245 117 I C 2.801 178.840 176.117 -0.129 0.000 1.102 117 I CA 1.052 62.244 61.300 -0.181 0.000 1.385 117 I CB -0.515 37.412 38.000 -0.122 0.000 1.064 117 I HN 0.182 nan 8.210 nan 0.000 0.414 118 A N 0.345 123.145 122.820 -0.033 0.000 1.883 118 A HA -0.211 4.109 4.320 0.000 0.000 0.217 118 A C 2.502 180.122 177.584 0.059 0.000 1.186 118 A CA 2.333 54.399 52.037 0.047 0.000 0.624 118 A CB -0.801 18.076 19.000 -0.206 0.000 0.822 118 A HN 0.385 nan 8.150 nan 0.000 0.444 119 S N -1.196 114.387 115.700 -0.195 0.000 2.368 119 S HA -0.127 4.343 4.470 0.000 0.000 0.225 119 S C 1.645 176.227 174.600 -0.030 0.000 1.030 119 S CA 1.382 59.455 58.200 -0.211 0.000 0.999 119 S CB -0.539 62.234 63.200 -0.711 0.000 0.844 119 S HN 0.621 nan 8.310 nan 0.000 0.459 120 F N 1.824 121.657 119.950 -0.195 0.000 2.095 120 F HA -0.171 4.356 4.527 0.000 0.000 0.298 120 F C 1.690 177.485 175.800 -0.008 0.000 1.104 120 F CA 1.448 59.345 58.000 -0.172 0.000 1.232 120 F CB -0.410 38.374 39.000 -0.360 0.000 0.987 120 F HN 0.119 nan 8.300 nan 0.000 0.475 121 F N -0.146 119.883 119.950 0.132 0.000 2.234 121 F HA -0.175 4.352 4.527 0.000 0.000 0.299 121 F C 2.558 178.317 175.800 -0.069 0.000 1.087 121 F CA 1.362 59.388 58.000 0.043 0.000 1.340 121 F CB -1.028 38.055 39.000 0.138 0.000 1.031 121 F HN 0.078 nan 8.300 nan 0.000 0.500 122 M N -1.467 118.163 119.600 0.051 0.000 2.156 122 M HA -0.198 4.282 4.480 0.000 0.000 0.264 122 M C 2.302 178.613 176.300 0.018 0.000 1.067 122 M CA 1.550 56.704 55.300 -0.244 0.000 1.131 122 M CB -0.412 31.877 32.600 -0.518 0.000 1.368 122 M HN 0.170 nan 8.290 nan 0.000 0.416 123 F N 0.384 120.358 119.950 0.039 0.000 2.065 123 F HA -0.267 4.261 4.527 0.000 0.000 0.298 123 F C 2.280 178.172 175.800 0.154 0.000 1.112 123 F CA 2.316 60.436 58.000 0.199 0.000 1.212 123 F CB -0.556 38.420 39.000 -0.040 0.000 0.975 123 F HN 0.102 nan 8.300 nan 0.000 0.476 124 V N 0.108 120.120 119.914 0.163 0.000 2.515 124 V HA -0.088 4.033 4.120 0.000 0.000 0.250 124 V C 2.208 178.364 176.094 0.104 0.000 1.058 124 V CA 1.681 64.049 62.300 0.115 0.000 1.064 124 V CB -1.260 30.567 31.823 0.008 0.000 0.675 124 V HN 0.387 nan 8.190 nan 0.000 0.461 125 A N 0.090 122.932 122.820 0.038 0.000 1.902 125 A HA -0.087 4.233 4.320 0.000 0.000 0.217 125 A C 2.374 179.947 177.584 -0.018 0.000 1.181 125 A CA 2.407 54.445 52.037 0.001 0.000 0.623 125 A CB -0.855 18.076 19.000 -0.115 0.000 0.818 125 A HN 0.520 nan 8.150 nan 0.000 0.443 126 V N -2.510 117.281 119.914 -0.205 0.000 2.302 126 V HA -0.221 3.900 4.120 0.000 0.000 0.243 126 V C 2.234 178.229 176.094 -0.164 0.000 1.036 126 V CA 1.554 63.627 62.300 -0.378 0.000 1.020 126 V CB -0.983 30.140 31.823 -1.166 0.000 0.657 126 V HN 0.792 nan 8.190 nan 0.000 0.453 127 W N 0.893 122.085 121.300 -0.180 0.000 2.363 127 W HA -0.213 4.447 4.660 0.000 0.000 0.296 127 W C 2.939 179.532 176.519 0.124 0.000 1.212 127 W CA 1.632 58.920 57.345 -0.094 0.000 1.260 127 W CB -0.353 28.940 29.460 -0.278 0.000 1.131 127 W HN 0.383 nan 8.180 nan 0.000 0.530 128 S N -1.125 114.774 115.700 0.331 0.000 2.406 128 S HA -0.219 4.251 4.470 0.000 0.000 0.228 128 S C 1.679 176.433 174.600 0.258 0.000 1.020 128 S CA 0.761 59.121 58.200 0.267 0.000 0.965 128 S CB -1.161 62.163 63.200 0.208 0.000 0.798 128 S HN 0.477 nan 8.310 nan 0.000 0.488 129 W N 0.907 122.284 121.300 0.128 0.000 2.374 129 W HA -0.089 4.572 4.660 0.000 0.000 0.288 129 W C 1.843 178.530 176.519 0.281 0.000 1.218 129 W CA 0.990 58.414 57.345 0.132 0.000 1.245 129 W CB -0.468 29.032 29.460 0.068 0.000 1.126 129 W HN 0.526 nan 8.180 nan 0.000 0.545 130 W N 1.427 122.925 121.300 0.331 0.000 2.354 130 W HA -0.075 4.585 4.660 0.000 0.000 0.315 130 W C 2.543 179.132 176.519 0.116 0.000 1.206 130 W CA 3.357 60.850 57.345 0.248 0.000 1.290 130 W CB -0.948 28.461 29.460 -0.085 0.000 1.152 130 W HN -0.119 nan 8.180 nan 0.000 0.489 131 G N 0.513 109.398 108.800 0.142 0.000 2.469 131 G HA2 -0.380 3.580 3.960 0.000 0.000 0.220 131 G HA3 -0.380 3.580 3.960 0.000 0.000 0.220 131 G C 1.608 176.358 174.900 -0.249 0.000 1.136 131 G CA 1.259 46.278 45.100 -0.135 0.000 0.759 131 G HN 0.351 nan 8.290 nan 0.000 0.562 132 R N 0.317 120.672 120.500 -0.242 0.000 2.083 132 R HA -0.128 4.213 4.340 0.000 0.000 0.237 132 R C 2.954 178.979 176.300 -0.458 0.000 1.137 132 R CA 2.232 58.100 56.100 -0.386 0.000 0.951 132 R CB -0.654 29.274 30.300 -0.620 0.000 0.851 132 R HN 0.488 nan 8.270 nan 0.000 0.434 133 T N -1.992 112.275 114.554 -0.479 0.000 2.833 133 T HA -0.212 4.138 4.350 0.000 0.000 0.269 133 T C 1.801 176.223 174.700 -0.463 0.000 1.054 133 T CA 1.257 63.098 62.100 -0.432 0.000 1.135 133 T CB -0.587 68.106 68.868 -0.292 0.000 0.869 133 T HN 0.407 nan 8.240 nan 0.000 0.466 134 Y N 1.878 121.756 120.300 -0.703 0.000 2.133 134 Y HA 0.136 4.686 4.550 0.000 0.000 0.287 134 Y C 2.189 177.807 175.900 -0.471 0.000 1.134 134 Y CA 1.124 58.808 58.100 -0.694 0.000 1.133 134 Y CB -0.386 37.524 38.460 -0.917 0.000 0.987 134 Y HN 0.128 nan 8.280 nan 0.000 0.502 135 L N -0.327 120.785 121.223 -0.184 0.000 2.093 135 L HA -0.200 4.140 4.340 0.000 0.000 0.208 135 L C 2.462 179.149 176.870 -0.304 0.000 1.085 135 L CA 0.920 55.655 54.840 -0.174 0.000 0.755 135 L CB -0.448 41.537 42.059 -0.123 0.000 0.904 135 L HN 0.115 nan 8.230 nan 0.000 0.435 136 R N 0.125 120.404 120.500 -0.368 0.000 2.115 136 R HA -0.031 4.309 4.340 0.000 0.000 0.230 136 R C 2.232 178.318 176.300 -0.356 0.000 1.111 136 R CA 1.272 57.129 56.100 -0.405 0.000 0.976 136 R CB -0.822 29.238 30.300 -0.401 0.000 0.870 136 R HN 0.352 nan 8.270 nan 0.000 0.445 137 A N 0.980 123.571 122.820 -0.383 0.000 1.854 137 A HA -0.185 4.135 4.320 0.000 0.000 0.214 137 A C 2.215 179.587 177.584 -0.353 0.000 1.192 137 A CA 1.250 53.065 52.037 -0.370 0.000 0.611 137 A CB -0.531 18.198 19.000 -0.453 0.000 0.832 137 A HN 0.331 nan 8.150 nan 0.000 0.442 138 Q N -0.429 119.116 119.800 -0.424 0.000 2.062 138 Q HA -0.245 4.096 4.340 0.000 0.000 0.209 138 Q C 2.136 178.006 176.000 -0.216 0.000 0.996 138 Q CA 2.173 57.786 55.803 -0.315 0.000 0.859 138 Q CB -0.393 28.188 28.738 -0.262 0.000 0.920 138 Q HN 0.607 nan 8.270 nan 0.000 0.415 139 A N -0.050 122.635 122.820 -0.225 0.000 2.125 139 A HA -0.103 4.218 4.320 0.000 0.000 0.219 139 A C 1.741 179.221 177.584 -0.173 0.000 1.156 139 A CA 1.009 52.930 52.037 -0.193 0.000 0.671 139 A CB -0.249 18.601 19.000 -0.250 0.000 0.794 139 A HN 0.464 nan 8.150 nan 0.000 0.459 140 L N -1.967 119.143 121.223 -0.188 0.000 2.640 140 L HA 0.266 4.606 4.340 0.000 0.000 0.230 140 L C 1.600 178.393 176.870 -0.129 0.000 1.123 140 L CA 0.509 55.257 54.840 -0.153 0.000 0.900 140 L CB 0.241 42.201 42.059 -0.165 0.000 1.146 140 L HN 0.523 nan 8.230 nan 0.000 0.484 141 G N 0.310 109.028 108.800 -0.136 0.000 2.148 141 G HA2 -0.306 3.654 3.960 0.000 0.000 0.254 141 G HA3 -0.306 3.654 3.960 0.000 0.000 0.254 141 G C 0.318 175.150 174.900 -0.112 0.000 0.981 141 G CA 0.180 45.213 45.100 -0.111 0.000 0.670 141 G HN 0.246 nan 8.290 nan 0.000 0.528 142 M N 0.641 120.155 119.600 -0.144 0.000 2.227 142 M HA 0.505 4.985 4.480 0.000 0.000 0.316 142 M C 1.449 177.668 176.300 -0.134 0.000 1.144 142 M CA 0.189 55.413 55.300 -0.127 0.000 1.121 142 M CB 0.577 33.092 32.600 -0.143 0.000 1.440 142 M HN 0.221 nan 8.290 nan 0.000 0.473 143 G N 0.734 109.511 108.800 -0.039 0.000 2.664 143 G HA2 0.102 4.062 3.960 0.000 0.000 0.242 143 G HA3 0.102 4.062 3.960 0.000 0.000 0.242 143 G C 0.296 175.117 174.900 -0.133 0.000 1.225 143 G CA -0.535 44.575 45.100 0.017 0.000 0.849 143 G HN 0.626 nan 8.290 nan 0.000 0.581 144 K N -0.064 120.137 120.400 -0.331 0.000 2.500 144 K HA 0.104 4.425 4.320 0.000 0.000 0.206 144 K C 1.449 177.661 176.600 -0.646 0.000 1.034 144 K CA -0.084 55.807 56.287 -0.660 0.000 1.179 144 K CB -0.133 31.822 32.500 -0.909 0.000 0.884 144 K HN 0.627 nan 8.250 nan 0.000 0.493 145 H N 0.072 119.025 119.070 -0.194 0.000 2.387 145 H HA -0.093 4.463 4.556 0.000 0.000 0.299 145 H C 1.740 177.031 175.328 -0.061 0.000 1.099 145 H CA 2.104 58.132 56.048 -0.034 0.000 1.315 145 H CB -0.180 29.565 29.762 -0.028 0.000 1.380 145 H HN 0.075 nan 8.280 nan 0.000 0.513 146 T N 0.180 114.718 114.554 -0.027 0.000 2.708 146 T HA -0.180 4.171 4.350 0.000 0.000 0.266 146 T C 2.385 177.088 174.700 0.006 0.000 1.037 146 T CA 1.386 63.462 62.100 -0.039 0.000 1.146 146 T CB -0.541 68.257 68.868 -0.116 0.000 0.865 146 T HN 0.534 nan 8.240 nan 0.000 0.435 147 A N 0.311 123.026 122.820 -0.175 0.000 1.930 147 A HA -0.063 4.257 4.320 0.000 0.000 0.217 147 A C 2.145 179.932 177.584 0.339 0.000 1.175 147 A CA 1.150 53.122 52.037 -0.108 0.000 0.627 147 A CB -1.113 17.494 19.000 -0.655 0.000 0.815 147 A HN 0.749 nan 8.150 nan 0.000 0.443 148 W N -0.442 120.988 121.300 0.218 0.000 2.381 148 W HA -0.036 4.624 4.660 0.000 0.000 0.301 148 W C 2.728 179.302 176.519 0.092 0.000 1.205 148 W CA 0.510 57.945 57.345 0.150 0.000 1.285 148 W CB -0.038 29.418 29.460 -0.006 0.000 1.133 148 W HN 0.400 nan 8.180 nan 0.000 0.521 149 A N 0.105 123.092 122.820 0.279 0.000 1.898 149 A HA -0.208 4.112 4.320 0.000 0.000 0.216 149 A C 1.739 179.483 177.584 0.267 0.000 1.181 149 A CA 1.148 53.282 52.037 0.162 0.000 0.620 149 A CB -1.177 17.871 19.000 0.080 0.000 0.819 149 A HN 0.320 nan 8.150 nan 0.000 0.442 150 F N 0.338 120.378 119.950 0.150 0.000 2.202 150 F HA -0.136 4.391 4.527 0.000 0.000 0.301 150 F C 1.739 177.626 175.800 0.145 0.000 1.082 150 F CA 1.207 59.301 58.000 0.157 0.000 1.313 150 F CB -0.651 38.489 39.000 0.235 0.000 1.024 150 F HN 0.189 nan 8.300 nan 0.000 0.495 151 L N -0.431 120.928 121.223 0.226 0.000 2.191 151 L HA -0.137 4.203 4.340 0.000 0.000 0.212 151 L C 2.678 179.565 176.870 0.029 0.000 1.103 151 L CA 1.866 56.686 54.840 -0.033 0.000 0.769 151 L CB -1.064 41.083 42.059 0.146 0.000 0.908 151 L HN 0.235 nan 8.230 nan 0.000 0.438 152 S N -1.297 114.468 115.700 0.109 0.000 2.387 152 S HA -0.069 4.401 4.470 0.000 0.000 0.226 152 S C 2.158 176.877 174.600 0.197 0.000 1.026 152 S CA 0.919 59.202 58.200 0.138 0.000 0.972 152 S CB -0.183 63.068 63.200 0.084 0.000 0.814 152 S HN 0.540 nan 8.310 nan 0.000 0.477 153 A N 1.389 124.304 122.820 0.158 0.000 1.898 153 A HA 0.067 4.387 4.320 0.000 0.000 0.216 153 A C 2.082 179.717 177.584 0.086 0.000 1.181 153 A CA 1.334 53.458 52.037 0.146 0.000 0.620 153 A CB -0.751 18.367 19.000 0.196 0.000 0.819 153 A HN 0.607 nan 8.150 nan 0.000 0.442 154 I N -1.255 119.272 120.570 -0.072 0.000 2.286 154 I HA -0.278 3.893 4.170 0.000 0.000 0.248 154 I C 2.461 178.648 176.117 0.117 0.000 1.115 154 I CA 1.280 62.480 61.300 -0.166 0.000 1.392 154 I CB -0.272 37.279 38.000 -0.747 0.000 1.065 154 I HN 0.766 nan 8.210 nan 0.000 0.418 155 W N 1.554 122.824 121.300 -0.050 0.000 2.335 155 W HA -0.296 4.365 4.660 0.000 0.000 0.311 155 W C 2.270 178.816 176.519 0.046 0.000 1.213 155 W CA 1.241 58.590 57.345 0.006 0.000 1.274 155 W CB -0.274 29.186 29.460 0.001 0.000 1.148 155 W HN 0.157 nan 8.180 nan 0.000 0.498 156 L N 1.064 122.258 121.223 -0.049 0.000 2.017 156 L HA -0.138 4.202 4.340 0.000 0.000 0.208 156 L C 2.338 179.163 176.870 -0.075 0.000 1.073 156 L CA 2.743 57.482 54.840 -0.168 0.000 0.745 156 L CB -1.744 40.315 42.059 0.001 0.000 0.894 156 L HN 0.226 nan 8.230 nan 0.000 0.432 157 W N -0.055 121.155 121.300 -0.150 0.000 2.318 157 W HA -0.282 4.379 4.660 0.000 0.000 0.313 157 W C 2.283 178.743 176.519 -0.098 0.000 1.221 157 W CA 2.200 59.465 57.345 -0.134 0.000 1.266 157 W CB -0.318 29.036 29.460 -0.177 0.000 1.150 157 W HN 0.113 nan 8.180 nan 0.000 0.496 158 M N -0.034 119.381 119.600 -0.309 0.000 2.117 158 M HA -0.172 4.308 4.480 0.000 0.000 0.262 158 M C 1.956 178.122 176.300 -0.224 0.000 1.065 158 M CA 1.408 56.463 55.300 -0.410 0.000 1.114 158 M CB -1.530 31.018 32.600 -0.086 0.000 1.361 158 M HN -0.005 nan 8.290 nan 0.000 0.408 159 V N 0.742 120.460 119.914 -0.327 0.000 2.295 159 V HA -0.279 3.841 4.120 0.000 0.000 0.246 159 V C 2.491 178.485 176.094 -0.167 0.000 1.049 159 V CA 1.542 63.634 62.300 -0.347 0.000 1.024 159 V CB -0.588 30.848 31.823 -0.646 0.000 0.648 159 V HN 0.396 nan 8.190 nan 0.000 0.447 160 L N 0.019 121.142 121.223 -0.165 0.000 2.017 160 L HA -0.091 4.249 4.340 0.000 0.000 0.208 160 L C 2.390 179.235 176.870 -0.043 0.000 1.073 160 L CA 1.958 56.740 54.840 -0.096 0.000 0.745 160 L CB -0.829 41.143 42.059 -0.146 0.000 0.894 160 L HN 0.481 nan 8.230 nan 0.000 0.432 161 G N -2.625 106.125 108.800 -0.083 0.000 2.796 161 G HA2 -0.070 3.890 3.960 0.000 0.000 0.210 161 G HA3 -0.070 3.890 3.960 0.000 0.000 0.210 161 G C 0.988 176.068 174.900 0.299 0.000 1.146 161 G CA 0.030 45.174 45.100 0.074 0.000 0.779 161 G HN 0.265 nan 8.290 nan 0.000 0.535 162 F N -0.180 119.787 119.950 0.028 0.000 2.268 162 F HA 0.363 4.890 4.527 0.000 0.000 0.262 162 F C 2.143 178.011 175.800 0.113 0.000 0.910 162 F CA -0.032 58.073 58.000 0.175 0.000 1.142 162 F CB -0.028 39.035 39.000 0.104 0.000 1.229 162 F HN -0.043 nan 8.300 nan 0.000 0.781 163 I N 0.858 121.526 120.570 0.163 0.000 2.142 163 I HA -0.244 3.926 4.170 0.000 0.000 0.240 163 I C 2.584 178.664 176.117 -0.062 0.000 1.078 163 I CA 1.562 62.877 61.300 0.024 0.000 1.343 163 I CB -0.600 37.444 38.000 0.073 0.000 1.046 163 I HN 0.133 nan 8.210 nan 0.000 0.405 164 R N 0.783 121.265 120.500 -0.031 0.000 2.080 164 R HA -0.165 4.175 4.340 0.000 0.000 0.236 164 R C -0.273 176.012 176.300 -0.025 0.000 1.137 164 R CA 2.074 58.173 56.100 -0.002 0.000 0.943 164 R CB -1.284 29.056 30.300 0.066 0.000 0.846 164 R HN 0.220 nan 8.270 nan 0.000 0.431 165 P HA -0.170 nan 4.420 nan 0.000 0.216 165 P C 1.209 178.305 177.300 -0.340 0.000 1.153 165 P CA 1.440 64.478 63.100 -0.104 0.000 0.858 165 P CB -0.069 31.656 31.700 0.042 0.000 0.789 166 I N -1.527 118.779 120.570 -0.440 0.000 2.179 166 I HA -0.232 3.938 4.170 0.000 0.000 0.242 166 I C 2.257 178.194 176.117 -0.300 0.000 1.088 166 I CA 1.415 62.409 61.300 -0.510 0.000 1.357 166 I CB -0.588 37.088 38.000 -0.539 0.000 1.051 166 I HN -0.092 nan 8.210 nan 0.000 0.409 167 L N -0.529 120.580 121.223 -0.191 0.000 2.141 167 L HA -0.183 4.157 4.340 0.000 0.000 0.209 167 L C 2.484 179.290 176.870 -0.108 0.000 1.094 167 L CA 0.818 55.588 54.840 -0.117 0.000 0.763 167 L CB -0.387 41.636 42.059 -0.061 0.000 0.908 167 L HN 0.287 nan 8.230 nan 0.000 0.437 168 M N -0.708 118.827 119.600 -0.109 0.000 2.476 168 M HA 0.036 4.517 4.480 0.000 0.000 0.262 168 M C 1.686 177.908 176.300 -0.130 0.000 1.079 168 M CA 1.215 56.462 55.300 -0.088 0.000 1.104 168 M CB -1.025 31.548 32.600 -0.044 0.000 1.409 168 M HN 0.451 nan 8.290 nan 0.000 0.467 169 G N 0.900 109.580 108.800 -0.200 0.000 2.176 169 G HA2 -0.197 3.763 3.960 0.000 0.000 0.232 169 G HA3 -0.197 3.763 3.960 0.000 0.000 0.232 169 G C 0.189 174.920 174.900 -0.282 0.000 0.986 169 G CA 0.466 45.432 45.100 -0.223 0.000 0.643 169 G HN 0.738 nan 8.290 nan 0.000 0.522 170 S N -2.053 113.451 115.700 -0.328 0.000 2.542 170 S HA 0.469 4.939 4.470 0.000 0.000 0.276 170 S C 0.297 174.714 174.600 -0.305 0.000 1.148 170 S CA -0.006 57.993 58.200 -0.335 0.000 0.886 170 S CB 0.268 63.375 63.200 -0.155 0.000 1.109 170 S HN 0.511 nan 8.310 nan 0.000 0.458 171 W N 1.865 123.085 121.300 -0.132 0.000 2.468 171 W HA -0.040 4.620 4.660 0.000 0.000 0.262 171 W C 2.520 178.865 176.519 -0.290 0.000 1.241 171 W CA 0.692 57.920 57.345 -0.194 0.000 1.232 171 W CB -0.088 29.242 29.460 -0.217 0.000 1.124 171 W HN 0.932 nan 8.180 nan 0.000 0.597 172 S N -0.309 115.388 115.700 -0.005 0.000 2.507 172 S HA -0.125 4.346 4.470 0.000 0.000 0.235 172 S C 1.457 176.078 174.600 0.035 0.000 0.988 172 S CA 0.876 59.050 58.200 -0.042 0.000 0.944 172 S CB -0.169 63.024 63.200 -0.011 0.000 0.762 172 S HN 0.193 nan 8.310 nan 0.000 0.526 173 E N 1.623 121.871 120.200 0.080 0.000 2.358 173 E HA 0.296 4.646 4.350 0.000 0.000 0.195 173 E C 1.155 177.979 176.600 0.372 0.000 1.010 173 E CA 0.539 57.071 56.400 0.221 0.000 0.856 173 E CB -0.292 29.507 29.700 0.166 0.000 0.795 173 E HN 0.726 nan 8.360 nan 0.000 0.504 174 A N 0.814 123.736 122.820 0.170 0.000 2.310 174 A HA 0.296 4.617 4.320 0.000 0.000 0.260 174 A C 0.318 177.796 177.584 -0.176 0.000 1.112 174 A CA -0.430 51.665 52.037 0.097 0.000 0.804 174 A CB 0.519 19.663 19.000 0.240 0.000 1.081 174 A HN -0.048 nan 8.150 nan 0.000 0.499 175 V N 2.233 121.895 119.914 -0.420 0.000 2.498 175 V HA 0.317 4.438 4.120 0.000 0.000 0.279 175 V C -1.945 173.961 176.094 -0.314 0.000 1.048 175 V CA -1.234 60.580 62.300 -0.809 0.000 0.967 175 V CB 0.838 32.162 31.823 -0.832 0.000 0.988 175 V HN 0.824 nan 8.190 nan 0.000 0.473 176 P HA 0.159 nan 4.420 nan 0.000 0.274 176 P C -1.186 176.112 177.300 -0.004 0.000 1.231 176 P CA -0.238 62.861 63.100 -0.003 0.000 0.790 176 P CB 0.424 32.201 31.700 0.129 0.000 0.951 177 Y N 0.824 121.353 120.300 0.381 0.000 2.595 177 Y HA 0.556 5.107 4.550 0.000 0.000 0.347 177 Y C 1.350 177.460 175.900 0.349 0.000 1.025 177 Y CA 0.135 58.403 58.100 0.280 0.000 1.295 177 Y CB 0.440 39.001 38.460 0.169 0.000 1.147 177 Y HN 0.533 nan 8.280 nan 0.000 0.515 178 G N 1.590 110.636 108.800 0.409 0.000 2.556 178 G HA2 0.278 4.238 3.960 0.000 0.000 0.294 178 G HA3 0.278 4.238 3.960 0.000 0.000 0.294 178 G C -0.165 174.894 174.900 0.265 0.000 1.516 178 G CA -0.772 44.577 45.100 0.414 0.000 0.824 178 G HN 0.234 nan 8.290 nan 0.000 0.535 179 I N 0.624 121.275 120.570 0.135 0.000 2.072 179 I HA 0.001 4.171 4.170 0.000 0.000 0.235 179 I C 2.603 178.846 176.117 0.210 0.000 1.058 179 I CA 1.325 62.626 61.300 0.001 0.000 1.320 179 I CB -1.096 36.590 38.000 -0.523 0.000 1.047 179 I HN 0.457 nan 8.210 nan 0.000 0.397 180 F N 1.798 121.728 119.950 -0.033 0.000 2.186 180 F HA -0.141 4.387 4.527 0.000 0.000 0.299 180 F C 2.985 178.814 175.800 0.048 0.000 1.090 180 F CA 1.235 59.198 58.000 -0.061 0.000 1.307 180 F CB -1.644 37.225 39.000 -0.218 0.000 1.019 180 F HN 0.210 nan 8.300 nan 0.000 0.489 181 S N -0.367 115.515 115.700 0.304 0.000 2.423 181 S HA -0.214 4.257 4.470 0.000 0.000 0.231 181 S C 2.110 176.903 174.600 0.320 0.000 1.014 181 S CA 1.219 59.587 58.200 0.280 0.000 0.965 181 S CB -1.157 62.206 63.200 0.272 0.000 0.785 181 S HN 0.634 nan 8.310 nan 0.000 0.495 182 H N 2.645 121.840 119.070 0.208 0.000 2.389 182 H HA 0.071 4.627 4.556 0.000 0.000 0.299 182 H C 1.903 177.385 175.328 0.256 0.000 1.081 182 H CA 1.439 57.605 56.048 0.198 0.000 1.345 182 H CB -0.687 29.148 29.762 0.122 0.000 1.393 182 H HN 0.455 nan 8.280 nan 0.000 0.520 183 L N 0.964 122.122 121.223 -0.109 0.000 1.994 183 L HA -0.175 4.165 4.340 0.000 0.000 0.208 183 L C 2.468 179.369 176.870 0.052 0.000 1.071 183 L CA 1.584 56.369 54.840 -0.091 0.000 0.745 183 L CB -0.531 41.492 42.059 -0.060 0.000 0.892 183 L HN 0.171 nan 8.230 nan 0.000 0.431 184 D N -0.554 119.909 120.400 0.104 0.000 2.123 184 D HA -0.253 4.387 4.640 0.000 0.000 0.196 184 D C 1.791 178.184 176.300 0.155 0.000 0.992 184 D CA 1.311 55.373 54.000 0.103 0.000 0.833 184 D CB -0.379 40.486 40.800 0.110 0.000 0.954 184 D HN 0.465 nan 8.370 nan 0.000 0.455 185 W N 1.748 123.088 121.300 0.067 0.000 2.342 185 W HA -0.225 4.435 4.660 0.000 0.000 0.297 185 W C 2.202 178.790 176.519 0.114 0.000 1.213 185 W CA 2.126 59.532 57.345 0.101 0.000 1.251 185 W CB -0.256 29.276 29.460 0.121 0.000 1.136 185 W HN -0.144 nan 8.180 nan 0.000 0.526 186 T N 0.010 114.767 114.554 0.338 0.000 2.770 186 T HA -0.249 4.101 4.350 0.000 0.000 0.263 186 T C 1.727 176.442 174.700 0.025 0.000 1.039 186 T CA 1.502 63.723 62.100 0.202 0.000 1.142 186 T CB -0.725 68.242 68.868 0.165 0.000 0.868 186 T HN 0.374 nan 8.240 nan 0.000 0.435 187 N N 1.291 119.997 118.700 0.011 0.000 2.069 187 N HA -0.196 4.544 4.740 0.000 0.000 0.191 187 N C 1.920 177.395 175.510 -0.059 0.000 1.031 187 N CA 1.698 54.729 53.050 -0.033 0.000 0.852 187 N CB -0.247 38.221 38.487 -0.033 0.000 1.018 187 N HN 0.322 nan 8.380 nan 0.000 0.423 188 N N -0.079 118.575 118.700 -0.078 0.000 2.120 188 N HA -0.178 4.562 4.740 0.000 0.000 0.188 188 N C 1.746 177.148 175.510 -0.180 0.000 1.024 188 N CA 1.041 54.014 53.050 -0.128 0.000 0.852 188 N CB -0.480 37.931 38.487 -0.127 0.000 1.003 188 N HN 0.235 nan 8.380 nan 0.000 0.424 189 F N 0.731 120.427 119.950 -0.423 0.000 2.091 189 F HA -0.212 4.315 4.527 0.000 0.000 0.299 189 F C 2.752 178.520 175.800 -0.053 0.000 1.103 189 F CA 1.840 59.621 58.000 -0.365 0.000 1.228 189 F CB -0.965 37.588 39.000 -0.744 0.000 0.984 189 F HN 0.112 nan 8.300 nan 0.000 0.477 190 S N -0.105 115.680 115.700 0.140 0.000 2.356 190 S HA -0.156 4.315 4.470 0.000 0.000 0.223 190 S C 2.049 176.645 174.600 -0.007 0.000 1.032 190 S CA 1.305 59.547 58.200 0.070 0.000 1.005 190 S CB -0.587 62.571 63.200 -0.071 0.000 0.867 190 S HN 0.263 nan 8.310 nan 0.000 0.449 191 L N 1.591 122.772 121.223 -0.070 0.000 2.012 191 L HA -0.011 4.329 4.340 0.000 0.000 0.210 191 L C 2.500 179.292 176.870 -0.130 0.000 1.073 191 L CA 1.458 56.244 54.840 -0.090 0.000 0.748 191 L CB -1.301 40.698 42.059 -0.100 0.000 0.891 191 L HN 0.235 nan 8.230 nan 0.000 0.431 192 V N -1.136 118.640 119.914 -0.230 0.000 3.041 192 V HA -0.175 3.945 4.120 0.000 0.000 0.260 192 V C 1.672 177.459 176.094 -0.513 0.000 1.105 192 V CA 0.985 63.055 62.300 -0.383 0.000 1.125 192 V CB -0.668 30.857 31.823 -0.497 0.000 0.730 192 V HN 0.512 nan 8.190 nan 0.000 0.479 193 H N -0.550 118.398 119.070 -0.202 0.000 2.505 193 H HA 0.330 4.887 4.556 0.000 0.000 0.286 193 H C 1.721 177.095 175.328 0.076 0.000 1.072 193 H CA 0.745 56.723 56.048 -0.115 0.000 1.141 193 H CB 0.552 30.241 29.762 -0.122 0.000 1.550 193 H HN 0.438 nan 8.280 nan 0.000 0.547 194 G N 2.050 110.920 108.800 0.116 0.000 2.132 194 G HA2 -0.310 3.651 3.960 0.000 0.000 0.234 194 G HA3 -0.310 3.651 3.960 0.000 0.000 0.234 194 G C -0.161 174.927 174.900 0.314 0.000 0.989 194 G CA 0.182 45.391 45.100 0.182 0.000 0.676 194 G HN 0.561 nan 8.290 nan 0.000 0.522 195 N N -1.645 117.192 118.700 0.229 0.000 3.367 195 N HA -0.134 4.606 4.740 0.000 0.000 0.269 195 N C 0.904 176.518 175.510 0.172 0.000 1.861 195 N CA 0.860 54.003 53.050 0.156 0.000 1.994 195 N CB -1.169 37.453 38.487 0.225 0.000 0.686 195 N HN 0.482 nan 8.380 nan 0.000 0.502 196 L N 2.794 123.963 121.223 -0.089 0.000 2.265 196 L HA -0.092 4.248 4.340 0.000 0.000 0.215 196 L C 1.640 178.424 176.870 -0.143 0.000 1.117 196 L CA 0.755 55.454 54.840 -0.235 0.000 0.782 196 L CB -0.378 41.338 42.059 -0.571 0.000 0.914 196 L HN 0.470 nan 8.230 nan 0.000 0.441 197 F N -0.890 118.933 119.950 -0.211 0.000 2.411 197 F HA -0.218 4.309 4.527 0.000 0.000 0.299 197 F C 1.690 177.339 175.800 -0.251 0.000 1.077 197 F CA 0.786 58.663 58.000 -0.204 0.000 1.439 197 F CB -0.976 37.839 39.000 -0.308 0.000 1.085 197 F HN 0.143 nan 8.300 nan 0.000 0.564 198 Y N -1.387 119.078 120.300 0.275 0.000 2.458 198 Y HA 0.134 4.684 4.550 0.000 0.000 0.256 198 Y C 0.869 176.877 175.900 0.181 0.000 1.159 198 Y CA -0.591 57.690 58.100 0.303 0.000 1.261 198 Y CB -0.494 38.229 38.460 0.438 0.000 1.119 198 Y HN -0.063 nan 8.280 nan 0.000 0.524 199 N N 3.044 121.674 118.700 -0.117 0.000 2.401 199 N HA 0.047 4.787 4.740 0.000 0.000 0.255 199 N C -1.786 173.507 175.510 -0.361 0.000 1.110 199 N CA -1.517 51.015 53.050 -0.863 0.000 0.949 199 N CB 1.063 38.692 38.487 -1.430 0.000 1.110 199 N HN -0.084 nan 8.380 nan 0.000 0.490 200 P HA -0.158 nan 4.420 nan 0.000 0.218 200 P C 0.703 177.839 177.300 -0.273 0.000 1.148 200 P CA 1.248 64.237 63.100 -0.185 0.000 0.822 200 P CB 0.006 31.614 31.700 -0.153 0.000 0.784 201 F N -0.789 119.059 119.950 -0.170 0.000 2.234 201 F HA -0.129 4.398 4.527 0.000 0.000 0.299 201 F C 2.855 178.635 175.800 -0.033 0.000 1.087 201 F CA 1.141 59.101 58.000 -0.067 0.000 1.340 201 F CB -1.335 37.631 39.000 -0.056 0.000 1.031 201 F HN 0.102 nan 8.300 nan 0.000 0.500 202 H N 0.029 119.085 119.070 -0.024 0.000 2.389 202 H HA -0.072 4.484 4.556 0.000 0.000 0.299 202 H C 2.382 177.697 175.328 -0.022 0.000 1.081 202 H CA 1.448 57.486 56.048 -0.017 0.000 1.345 202 H CB -0.375 29.357 29.762 -0.050 0.000 1.393 202 H HN 0.334 nan 8.280 nan 0.000 0.520 203 G N 0.868 109.662 108.800 -0.010 0.000 2.408 203 G HA2 -0.167 3.793 3.960 0.000 0.000 0.217 203 G HA3 -0.167 3.793 3.960 0.000 0.000 0.217 203 G C 2.016 176.818 174.900 -0.163 0.000 1.150 203 G CA 0.497 45.536 45.100 -0.101 0.000 0.776 203 G HN 0.323 nan 8.290 nan 0.000 0.542 204 L N 0.424 121.590 121.223 -0.096 0.000 2.027 204 L HA -0.063 4.277 4.340 0.000 0.000 0.206 204 L C 3.106 179.996 176.870 0.033 0.000 1.074 204 L CA 1.222 56.023 54.840 -0.065 0.000 0.745 204 L CB -0.450 41.681 42.059 0.119 0.000 0.898 204 L HN 0.315 nan 8.230 nan 0.000 0.433 205 S N 0.194 115.948 115.700 0.090 0.000 2.374 205 S HA -0.198 4.272 4.470 0.000 0.000 0.227 205 S C 1.970 176.526 174.600 -0.074 0.000 1.037 205 S CA 1.414 59.674 58.200 0.100 0.000 1.024 205 S CB -0.256 62.954 63.200 0.017 0.000 0.861 205 S HN 0.282 nan 8.310 nan 0.000 0.456 206 I N 1.387 121.780 120.570 -0.296 0.000 2.226 206 I HA -0.188 3.982 4.170 0.000 0.000 0.245 206 I C 2.760 178.539 176.117 -0.562 0.000 1.100 206 I CA 1.087 62.075 61.300 -0.519 0.000 1.374 206 I CB -0.589 37.035 38.000 -0.627 0.000 1.057 206 I HN 0.366 nan 8.210 nan 0.000 0.413 207 A N 1.014 123.578 122.820 -0.428 0.000 1.883 207 A HA -0.230 4.090 4.320 0.000 0.000 0.217 207 A C 2.042 179.437 177.584 -0.315 0.000 1.186 207 A CA 1.794 53.588 52.037 -0.404 0.000 0.624 207 A CB -1.005 17.670 19.000 -0.541 0.000 0.822 207 A HN 0.349 nan 8.150 nan 0.000 0.444 208 F N -0.925 119.011 119.950 -0.023 0.000 2.186 208 F HA -0.037 4.490 4.527 0.000 0.000 0.299 208 F C 2.000 177.833 175.800 0.055 0.000 1.090 208 F CA 1.026 59.053 58.000 0.045 0.000 1.307 208 F CB -0.714 38.330 39.000 0.073 0.000 1.019 208 F HN 0.236 nan 8.300 nan 0.000 0.489 209 L N -0.927 120.385 121.223 0.148 0.000 2.027 209 L HA -0.221 4.120 4.340 0.000 0.000 0.206 209 L C 2.264 179.269 176.870 0.226 0.000 1.074 209 L CA 1.836 56.760 54.840 0.141 0.000 0.745 209 L CB -0.988 41.103 42.059 0.055 0.000 0.898 209 L HN 0.039 nan 8.230 nan 0.000 0.433 210 Y N 0.177 120.511 120.300 0.057 0.000 2.224 210 Y HA -0.050 4.501 4.550 0.000 0.000 0.289 210 Y C 2.575 178.508 175.900 0.054 0.000 1.146 210 Y CA 0.677 58.801 58.100 0.040 0.000 1.182 210 Y CB -1.678 36.782 38.460 0.000 0.000 0.983 210 Y HN 0.262 nan 8.280 nan 0.000 0.524 211 G N -0.863 108.067 108.800 0.217 0.000 2.440 211 G HA2 -0.255 3.706 3.960 0.000 0.000 0.218 211 G HA3 -0.255 3.706 3.960 0.000 0.000 0.218 211 G C 1.969 176.973 174.900 0.174 0.000 1.154 211 G CA 1.354 46.554 45.100 0.166 0.000 0.767 211 G HN 0.401 nan 8.290 nan 0.000 0.552 212 S N 0.908 116.731 115.700 0.205 0.000 2.382 212 S HA 0.016 4.486 4.470 0.000 0.000 0.228 212 S C 2.745 177.470 174.600 0.208 0.000 1.027 212 S CA 1.190 59.505 58.200 0.192 0.000 0.991 212 S CB -0.294 63.025 63.200 0.198 0.000 0.823 212 S HN 0.601 nan 8.310 nan 0.000 0.469 213 A N 1.369 124.307 122.820 0.197 0.000 1.897 213 A HA 0.052 4.372 4.320 0.000 0.000 0.215 213 A C 2.087 179.757 177.584 0.144 0.000 1.181 213 A CA 1.099 53.240 52.037 0.175 0.000 0.620 213 A CB -0.696 18.386 19.000 0.136 0.000 0.821 213 A HN 0.407 nan 8.150 nan 0.000 0.443 214 L N -0.574 120.717 121.223 0.114 0.000 1.990 214 L HA -0.165 4.175 4.340 0.000 0.000 0.213 214 L C 2.221 179.126 176.870 0.059 0.000 1.072 214 L CA 2.264 57.147 54.840 0.073 0.000 0.755 214 L CB -0.719 41.369 42.059 0.048 0.000 0.889 214 L HN 0.309 nan 8.230 nan 0.000 0.432 215 L N -1.580 119.675 121.223 0.054 0.000 2.056 215 L HA -0.164 4.176 4.340 0.000 0.000 0.207 215 L C 2.260 179.201 176.870 0.119 0.000 1.078 215 L CA 1.672 56.512 54.840 -0.000 0.000 0.749 215 L CB -0.921 41.121 42.059 -0.027 0.000 0.901 215 L HN 0.307 nan 8.230 nan 0.000 0.433 216 F N -0.125 119.853 119.950 0.047 0.000 2.259 216 F HA 0.022 4.549 4.527 0.000 0.000 0.298 216 F C 2.348 178.182 175.800 0.057 0.000 1.088 216 F CA 0.563 58.608 58.000 0.076 0.000 1.358 216 F CB -0.921 38.129 39.000 0.082 0.000 1.040 216 F HN 0.175 nan 8.300 nan 0.000 0.505 217 A N -0.037 122.928 122.820 0.242 0.000 1.873 217 A HA -0.208 4.112 4.320 0.000 0.000 0.215 217 A C 2.327 179.997 177.584 0.142 0.000 1.186 217 A CA 1.740 53.853 52.037 0.128 0.000 0.616 217 A CB -0.682 18.372 19.000 0.090 0.000 0.823 217 A HN 0.349 nan 8.150 nan 0.000 0.442 218 M N -1.785 117.902 119.600 0.144 0.000 2.065 218 M HA -0.204 4.276 4.480 0.000 0.000 0.259 218 M C 2.337 178.753 176.300 0.194 0.000 1.071 218 M CA 2.274 57.670 55.300 0.161 0.000 1.109 218 M CB -0.620 31.905 32.600 -0.125 0.000 1.313 218 M HN 0.702 nan 8.290 nan 0.000 0.408 219 H N -0.128 118.975 119.070 0.054 0.000 2.293 219 H HA -0.067 4.489 4.556 0.000 0.000 0.300 219 H C 1.953 177.362 175.328 0.136 0.000 1.082 219 H CA 2.233 58.313 56.048 0.053 0.000 1.308 219 H CB -0.774 28.965 29.762 -0.039 0.000 1.375 219 H HN 0.343 nan 8.280 nan 0.000 0.495 220 G N 0.050 108.936 108.800 0.143 0.000 2.446 220 G HA2 -0.306 3.655 3.960 0.000 0.000 0.217 220 G HA3 -0.306 3.655 3.960 0.000 0.000 0.217 220 G C 1.958 176.807 174.900 -0.085 0.000 1.168 220 G CA 1.412 46.501 45.100 -0.018 0.000 0.771 220 G HN 0.650 nan 8.290 nan 0.000 0.551 221 A N -0.007 122.797 122.820 -0.027 0.000 1.908 221 A HA -0.037 4.283 4.320 0.000 0.000 0.218 221 A C 2.538 180.062 177.584 -0.100 0.000 1.181 221 A CA 2.552 54.553 52.037 -0.061 0.000 0.627 221 A CB -0.957 18.031 19.000 -0.019 0.000 0.818 221 A HN 0.324 nan 8.150 nan 0.000 0.445 222 T N 0.378 114.906 114.554 -0.044 0.000 2.701 222 T HA -0.085 4.265 4.350 0.000 0.000 0.263 222 T C 1.834 176.487 174.700 -0.078 0.000 1.040 222 T CA 1.384 63.455 62.100 -0.048 0.000 1.147 222 T CB -0.289 68.687 68.868 0.179 0.000 0.865 222 T HN 0.285 nan 8.240 nan 0.000 0.426 223 I N 1.422 121.918 120.570 -0.123 0.000 2.151 223 I HA -0.126 4.044 4.170 0.000 0.000 0.243 223 I C 2.390 178.446 176.117 -0.102 0.000 1.080 223 I CA 1.394 62.621 61.300 -0.121 0.000 1.339 223 I CB -1.402 36.467 38.000 -0.219 0.000 1.039 223 I HN 0.277 nan 8.210 nan 0.000 0.409 224 L N 0.489 121.632 121.223 -0.134 0.000 2.046 224 L HA -0.184 4.156 4.340 0.000 0.000 0.208 224 L C 2.744 179.532 176.870 -0.138 0.000 1.077 224 L CA 1.390 56.142 54.840 -0.147 0.000 0.747 224 L CB -0.785 41.169 42.059 -0.175 0.000 0.896 224 L HN 0.197 nan 8.230 nan 0.000 0.432 225 A N -0.013 122.727 122.820 -0.134 0.000 2.019 225 A HA -0.126 4.194 4.320 0.000 0.000 0.219 225 A C 1.930 179.485 177.584 -0.048 0.000 1.164 225 A CA 1.779 53.740 52.037 -0.126 0.000 0.644 225 A CB -0.611 18.273 19.000 -0.192 0.000 0.805 225 A HN 0.374 nan 8.150 nan 0.000 0.449 226 V N -1.832 118.084 119.914 0.004 0.000 3.271 226 V HA 0.165 4.286 4.120 0.000 0.000 0.327 226 V C 1.442 177.585 176.094 0.082 0.000 1.389 226 V CA 0.884 63.281 62.300 0.162 0.000 1.156 226 V CB -0.676 31.274 31.823 0.212 0.000 1.103 226 V HN 0.544 nan 8.190 nan 0.000 0.453 227 S N 1.935 117.608 115.700 -0.045 0.000 2.481 227 S HA -0.160 4.310 4.470 0.000 0.000 0.231 227 S C 1.906 176.437 174.600 -0.115 0.000 0.996 227 S CA 0.950 59.114 58.200 -0.059 0.000 0.942 227 S CB -0.640 62.511 63.200 -0.082 0.000 0.768 227 S HN 0.876 nan 8.310 nan 0.000 0.520 228 R N 0.280 120.618 120.500 -0.270 0.000 2.316 228 R HA 0.115 4.455 4.340 0.000 0.000 0.202 228 R C 0.144 176.078 176.300 -0.609 0.000 1.029 228 R CA 0.811 56.635 56.100 -0.460 0.000 1.018 228 R CB -0.636 29.284 30.300 -0.634 0.000 0.888 228 R HN 0.555 nan 8.270 nan 0.000 0.471 229 F N 0.068 120.014 119.950 -0.006 0.000 2.764 229 F HA 0.462 4.989 4.527 0.000 0.000 0.310 229 F C 1.029 176.828 175.800 -0.001 0.000 1.124 229 F CA -0.269 57.730 58.000 -0.002 0.000 1.252 229 F CB 1.365 40.361 39.000 -0.006 0.000 1.010 229 F HN 0.158 nan 8.300 nan 0.000 0.518 230 G N 0.705 109.560 108.800 0.092 0.000 2.160 230 G HA2 -0.292 3.668 3.960 0.000 0.000 0.251 230 G HA3 -0.292 3.668 3.960 0.000 0.000 0.251 230 G C 1.406 176.351 174.900 0.076 0.000 1.008 230 G CA 0.218 45.359 45.100 0.068 0.000 0.724 230 G HN 0.689 nan 8.290 nan 0.000 0.514 231 G N 1.002 109.859 108.800 0.094 0.000 2.475 231 G HA2 -0.153 3.807 3.960 0.000 0.000 0.220 231 G HA3 -0.153 3.807 3.960 0.000 0.000 0.220 231 G C 1.485 176.421 174.900 0.060 0.000 1.125 231 G CA 1.609 46.761 45.100 0.086 0.000 0.755 231 G HN 0.897 nan 8.290 nan 0.000 0.565 232 E N 1.000 121.218 120.200 0.031 0.000 2.427 232 E HA -0.059 4.291 4.350 0.000 0.000 0.196 232 E C 1.048 177.669 176.600 0.034 0.000 1.028 232 E CA -0.052 56.364 56.400 0.026 0.000 0.864 232 E CB -0.256 29.439 29.700 -0.008 0.000 0.813 232 E HN 0.312 nan 8.360 nan 0.000 0.514 233 R N 1.803 122.323 120.500 0.033 0.000 4.113 233 R HA 0.091 4.432 4.340 0.000 0.000 0.179 233 R C 0.900 177.221 176.300 0.035 0.000 1.781 233 R CA 0.042 56.158 56.100 0.026 0.000 1.402 233 R CB -0.056 30.258 30.300 0.024 0.000 1.375 233 R HN 0.289 nan 8.270 nan 0.000 0.786 234 E N 0.744 120.967 120.200 0.038 0.000 2.106 234 E HA -0.183 4.167 4.350 0.000 0.000 0.192 234 E C 1.405 178.017 176.600 0.019 0.000 0.984 234 E CA 0.977 57.414 56.400 0.061 0.000 0.806 234 E CB 0.066 29.821 29.700 0.091 0.000 0.750 234 E HN 0.481 nan 8.360 nan 0.000 0.458 235 L N 0.730 121.942 121.223 -0.018 0.000 2.056 235 L HA -0.181 4.159 4.340 0.000 0.000 0.207 235 L C 2.533 179.399 176.870 -0.007 0.000 1.078 235 L CA 1.060 55.883 54.840 -0.029 0.000 0.749 235 L CB -0.154 41.877 42.059 -0.047 0.000 0.901 235 L HN 0.076 nan 8.230 nan 0.000 0.433 236 E N -0.376 119.826 120.200 0.002 0.000 2.208 236 E HA -0.173 4.177 4.350 0.000 0.000 0.193 236 E C 2.202 178.813 176.600 0.019 0.000 0.988 236 E CA 0.823 57.228 56.400 0.009 0.000 0.828 236 E CB 0.112 29.819 29.700 0.010 0.000 0.763 236 E HN 0.322 nan 8.360 nan 0.000 0.478 237 Q N -0.263 119.555 119.800 0.030 0.000 2.230 237 Q HA -0.059 4.282 4.340 0.000 0.000 0.202 237 Q C 2.225 178.249 176.000 0.039 0.000 0.963 237 Q CA 0.842 56.669 55.803 0.040 0.000 0.866 237 Q CB 0.072 28.845 28.738 0.058 0.000 0.931 237 Q HN 0.437 nan 8.270 nan 0.000 0.452 238 I N 0.430 121.021 120.570 0.035 0.000 2.252 238 I HA -0.213 3.958 4.170 0.000 0.000 0.245 238 I C 2.209 178.338 176.117 0.021 0.000 1.102 238 I CA 1.046 62.365 61.300 0.032 0.000 1.385 238 I CB -0.224 37.788 38.000 0.020 0.000 1.064 238 I HN 0.043 nan 8.210 nan 0.000 0.414 239 A N -0.951 121.877 122.820 0.014 0.000 2.067 239 A HA -0.110 4.210 4.320 0.000 0.000 0.217 239 A C 0.623 178.214 177.584 0.012 0.000 1.156 239 A CA 1.183 53.225 52.037 0.009 0.000 0.683 239 A CB -0.030 18.972 19.000 0.003 0.000 0.808 239 A HN 0.410 nan 8.150 nan 0.000 0.455 240 D N -1.183 119.227 120.400 0.016 0.000 2.826 240 D HA 0.086 4.726 4.640 0.000 0.000 0.239 240 D C -0.476 175.835 176.300 0.018 0.000 1.329 240 D CA -0.400 53.609 54.000 0.015 0.000 0.854 240 D CB -0.093 40.715 40.800 0.013 0.000 1.494 240 D HN 0.221 nan 8.370 nan 0.000 0.540 241 R N 1.142 121.653 120.500 0.018 0.000 2.494 241 R HA 0.328 4.669 4.340 0.000 0.000 0.291 241 R C 0.432 176.737 176.300 0.008 0.000 0.953 241 R CA 0.766 56.876 56.100 0.017 0.000 1.098 241 R CB 0.261 30.571 30.300 0.015 0.000 0.911 241 R HN 0.383 nan 8.270 nan 0.000 0.407 242 G N 0.771 109.576 108.800 0.008 0.000 2.705 242 G HA2 0.063 4.023 3.960 0.000 0.000 0.299 242 G HA3 0.063 4.023 3.960 0.000 0.000 0.299 242 G C 0.511 175.382 174.900 -0.047 0.000 1.315 242 G CA -0.281 44.816 45.100 -0.004 0.000 1.045 242 G HN 0.578 nan 8.290 nan 0.000 0.517 243 T N -0.615 113.884 114.554 -0.092 0.000 2.962 243 T HA -0.005 4.346 4.350 0.000 0.000 0.270 243 T C 2.511 177.018 174.700 -0.322 0.000 1.088 243 T CA 2.141 64.105 62.100 -0.226 0.000 1.127 243 T CB -0.529 68.148 68.868 -0.319 0.000 0.883 243 T HN 0.632 nan 8.240 nan 0.000 0.493 244 A N 1.186 123.910 122.820 -0.160 0.000 1.865 244 A HA 0.157 4.477 4.320 0.000 0.000 0.217 244 A C 2.720 180.288 177.584 -0.027 0.000 1.191 244 A CA 2.040 54.064 52.037 -0.022 0.000 0.623 244 A CB -1.388 17.696 19.000 0.139 0.000 0.826 244 A HN 0.649 nan 8.150 nan 0.000 0.444 245 A N -0.613 122.203 122.820 -0.007 0.000 2.015 245 A HA -0.100 4.220 4.320 0.000 0.000 0.219 245 A C 1.899 179.471 177.584 -0.020 0.000 1.163 245 A CA 1.512 53.559 52.037 0.016 0.000 0.646 245 A CB -0.410 18.611 19.000 0.035 0.000 0.806 245 A HN 0.672 nan 8.150 nan 0.000 0.448 246 E N -0.419 119.737 120.200 -0.073 0.000 2.076 246 E HA -0.102 4.248 4.350 0.000 0.000 0.190 246 E C 2.260 178.767 176.600 -0.155 0.000 0.979 246 E CA 0.706 57.047 56.400 -0.098 0.000 0.807 246 E CB -0.133 29.505 29.700 -0.103 0.000 0.761 246 E HN 0.557 nan 8.360 nan 0.000 0.454 247 R N 0.935 121.314 120.500 -0.203 0.000 2.092 247 R HA -0.046 4.294 4.340 0.000 0.000 0.231 247 R C 2.402 178.615 176.300 -0.146 0.000 1.119 247 R CA 1.008 56.969 56.100 -0.231 0.000 0.970 247 R CB -0.331 29.805 30.300 -0.273 0.000 0.864 247 R HN 0.075 nan 8.270 nan 0.000 0.440 248 A N 1.783 124.569 122.820 -0.056 0.000 1.851 248 A HA -0.186 4.134 4.320 0.000 0.000 0.216 248 A C 2.462 180.118 177.584 0.119 0.000 1.195 248 A CA 1.898 53.963 52.037 0.046 0.000 0.622 248 A CB -0.952 18.106 19.000 0.097 0.000 0.831 248 A HN 0.390 nan 8.150 nan 0.000 0.444 249 A N -0.461 122.393 122.820 0.057 0.000 1.892 249 A HA -0.136 4.184 4.320 0.000 0.000 0.218 249 A C 2.211 179.759 177.584 -0.059 0.000 1.188 249 A CA 1.782 53.849 52.037 0.051 0.000 0.631 249 A CB -0.708 18.299 19.000 0.011 0.000 0.822 249 A HN 0.500 nan 8.150 nan 0.000 0.447 250 L N -2.273 118.793 121.223 -0.262 0.000 2.156 250 L HA -0.083 4.257 4.340 0.000 0.000 0.208 250 L C 2.420 178.793 176.870 -0.830 0.000 1.095 250 L CA 1.088 55.534 54.840 -0.656 0.000 0.770 250 L CB -0.492 41.015 42.059 -0.919 0.000 0.914 250 L HN 0.519 nan 8.230 nan 0.000 0.439 251 F N 0.210 119.783 119.950 -0.629 0.000 2.091 251 F HA -0.289 4.238 4.527 0.000 0.000 0.299 251 F C 1.942 177.432 175.800 -0.518 0.000 1.103 251 F CA 1.851 59.498 58.000 -0.589 0.000 1.228 251 F CB -0.354 38.254 39.000 -0.653 0.000 0.984 251 F HN -0.008 nan 8.300 nan 0.000 0.477 252 W N 0.130 121.376 121.300 -0.090 0.000 2.476 252 W HA 0.046 4.706 4.660 0.000 0.000 0.281 252 W C 2.740 179.130 176.519 -0.214 0.000 1.230 252 W CA 0.887 58.140 57.345 -0.154 0.000 1.287 252 W CB -0.450 28.940 29.460 -0.117 0.000 1.108 252 W HN -0.127 nan 8.180 nan 0.000 0.567 253 R N -0.213 120.289 120.500 0.003 0.000 2.081 253 R HA -0.178 4.162 4.340 0.000 0.000 0.235 253 R C 1.902 178.318 176.300 0.192 0.000 1.131 253 R CA 2.039 58.187 56.100 0.080 0.000 0.960 253 R CB -0.633 29.708 30.300 0.068 0.000 0.856 253 R HN 0.099 nan 8.270 nan 0.000 0.436 254 W N 0.247 121.470 121.300 -0.128 0.000 2.402 254 W HA 0.010 4.670 4.660 0.000 0.000 0.286 254 W C 2.138 178.529 176.519 -0.214 0.000 1.221 254 W CA 0.963 58.207 57.345 -0.169 0.000 1.257 254 W CB -1.132 28.201 29.460 -0.211 0.000 1.120 254 W HN 0.114 nan 8.180 nan 0.000 0.551 255 T N 0.859 115.339 114.554 -0.123 0.000 2.698 255 T HA -0.123 4.227 4.350 0.000 0.000 0.260 255 T C 1.681 176.382 174.700 0.002 0.000 1.044 255 T CA 2.079 64.066 62.100 -0.187 0.000 1.149 255 T CB -0.263 68.317 68.868 -0.481 0.000 0.864 255 T HN 0.199 nan 8.240 nan 0.000 0.419 256 M N -1.039 118.606 119.600 0.076 0.000 2.300 256 M HA 0.605 5.085 4.480 0.000 0.000 0.313 256 M C 1.252 177.694 176.300 0.237 0.000 0.988 256 M CA 0.182 55.571 55.300 0.148 0.000 1.012 256 M CB 1.030 33.722 32.600 0.153 0.000 1.586 256 M HN 0.250 nan 8.290 nan 0.000 0.562 257 G N 2.100 111.022 108.800 0.204 0.000 2.159 257 G HA2 -0.260 3.701 3.960 0.000 0.000 0.256 257 G HA3 -0.260 3.701 3.960 0.000 0.000 0.256 257 G C -0.246 174.883 174.900 0.382 0.000 0.977 257 G CA 0.523 45.776 45.100 0.255 0.000 0.652 257 G HN 0.838 nan 8.290 nan 0.000 0.531 258 F N -0.778 119.230 119.950 0.097 0.000 2.779 258 F HA 0.778 5.306 4.527 0.000 0.000 0.316 258 F C -0.813 175.047 175.800 0.101 0.000 1.164 258 F CA -1.348 56.706 58.000 0.089 0.000 0.924 258 F CB 0.703 39.746 39.000 0.071 0.000 1.348 258 F HN 0.407 nan 8.300 nan 0.000 0.467 259 N N 0.955 119.665 118.700 0.017 0.000 3.106 259 N HA 0.719 5.459 4.740 0.000 0.000 0.253 259 N C -1.883 173.656 175.510 0.049 0.000 1.506 259 N CA -0.682 52.329 53.050 -0.065 0.000 0.876 259 N CB 1.869 40.388 38.487 0.053 0.000 1.452 259 N HN 1.093 nan 8.380 nan 0.000 0.542 260 A N -0.070 122.765 122.820 0.024 0.000 2.284 260 A HA 0.790 5.110 4.320 0.000 0.000 0.317 260 A C 0.193 177.843 177.584 0.110 0.000 1.120 260 A CA -0.263 51.844 52.037 0.116 0.000 0.900 260 A CB 0.640 19.673 19.000 0.055 0.000 1.319 260 A HN 0.822 nan 8.150 nan 0.000 0.494 261 T N -2.886 111.741 114.554 0.122 0.000 2.923 261 T HA 0.421 4.771 4.350 0.000 0.000 0.281 261 T C 0.969 175.729 174.700 0.100 0.000 0.995 261 T CA -0.148 62.010 62.100 0.097 0.000 0.985 261 T CB 0.761 69.682 68.868 0.088 0.000 1.114 261 T HN 0.439 nan 8.240 nan 0.000 0.548 262 M N 0.257 119.921 119.600 0.106 0.000 2.149 262 M HA -0.024 4.456 4.480 0.000 0.000 0.261 262 M C 2.104 178.524 176.300 0.200 0.000 1.064 262 M CA 1.683 57.072 55.300 0.149 0.000 1.102 262 M CB -0.914 31.763 32.600 0.129 0.000 1.369 262 M HN 0.889 nan 8.290 nan 0.000 0.408 263 E N -1.487 118.794 120.200 0.136 0.000 2.086 263 E HA -0.055 4.295 4.350 0.000 0.000 0.190 263 E C 1.939 178.615 176.600 0.126 0.000 0.975 263 E CA 0.949 57.424 56.400 0.126 0.000 0.813 263 E CB -0.369 29.366 29.700 0.059 0.000 0.768 263 E HN 0.596 nan 8.360 nan 0.000 0.457 264 G N 1.585 110.447 108.800 0.103 0.000 2.422 264 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 264 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 264 G C 1.530 176.523 174.900 0.155 0.000 1.146 264 G CA 0.637 45.797 45.100 0.101 0.000 0.769 264 G HN 0.289 nan 8.290 nan 0.000 0.547 265 I N 0.930 121.559 120.570 0.097 0.000 2.248 265 I HA -0.186 3.984 4.170 0.000 0.000 0.248 265 I C 2.301 178.285 176.117 -0.221 0.000 1.107 265 I CA 1.284 62.543 61.300 -0.068 0.000 1.373 265 I CB -0.486 37.299 38.000 -0.359 0.000 1.055 265 I HN 0.316 nan 8.210 nan 0.000 0.418 266 H N -0.579 118.429 119.070 -0.103 0.000 2.529 266 H HA 0.092 4.648 4.556 0.000 0.000 0.277 266 H C 2.226 177.523 175.328 -0.052 0.000 0.999 266 H CA 0.882 56.848 56.048 -0.138 0.000 1.256 266 H CB -0.004 29.679 29.762 -0.132 0.000 1.402 266 H HN 0.297 nan 8.280 nan 0.000 0.566 267 R N -0.639 119.916 120.500 0.091 0.000 2.080 267 R HA -0.090 4.250 4.340 0.000 0.000 0.222 267 R C 1.511 177.923 176.300 0.186 0.000 1.107 267 R CA 1.036 57.204 56.100 0.114 0.000 0.980 267 R CB -0.288 30.052 30.300 0.066 0.000 0.879 267 R HN 0.375 nan 8.270 nan 0.000 0.439 268 W N 1.350 122.692 121.300 0.071 0.000 2.321 268 W HA -0.220 4.440 4.660 0.000 0.000 0.306 268 W C 2.582 179.113 176.519 0.019 0.000 1.217 268 W CA 1.255 58.631 57.345 0.053 0.000 1.257 268 W CB -0.264 29.171 29.460 -0.041 0.000 1.145 268 W HN 0.196 nan 8.180 nan 0.000 0.509 269 A N 0.125 123.031 122.820 0.142 0.000 1.865 269 A HA -0.233 4.088 4.320 0.000 0.000 0.217 269 A C 1.928 179.516 177.584 0.007 0.000 1.191 269 A CA 1.821 53.841 52.037 -0.028 0.000 0.623 269 A CB -1.073 17.793 19.000 -0.223 0.000 0.826 269 A HN 0.367 nan 8.150 nan 0.000 0.444 270 I N -2.214 118.354 120.570 -0.003 0.000 2.315 270 I HA -0.243 3.927 4.170 0.000 0.000 0.248 270 I C 2.279 178.331 176.117 -0.109 0.000 1.117 270 I CA 1.391 62.637 61.300 -0.090 0.000 1.404 270 I CB -0.115 37.789 38.000 -0.160 0.000 1.071 270 I HN 0.613 nan 8.210 nan 0.000 0.419 271 W N -0.043 121.257 121.300 0.001 0.000 2.418 271 W HA -0.195 4.466 4.660 0.000 0.000 0.292 271 W C 2.445 178.928 176.519 -0.061 0.000 1.213 271 W CA 0.744 58.063 57.345 -0.042 0.000 1.283 271 W CB -0.281 29.137 29.460 -0.070 0.000 1.119 271 W HN 0.143 nan 8.180 nan 0.000 0.542 272 M N 1.032 120.795 119.600 0.272 0.000 2.080 272 M HA -0.166 4.314 4.480 0.000 0.000 0.260 272 M C 2.097 178.490 176.300 0.155 0.000 1.068 272 M CA 2.472 57.928 55.300 0.260 0.000 1.109 272 M CB -0.915 31.852 32.600 0.279 0.000 1.342 272 M HN -0.038 nan 8.290 nan 0.000 0.405 273 A N -0.782 122.098 122.820 0.099 0.000 1.855 273 A HA -0.086 4.234 4.320 0.000 0.000 0.215 273 A C 2.177 179.787 177.584 0.043 0.000 1.191 273 A CA 2.172 54.255 52.037 0.076 0.000 0.613 273 A CB -1.672 17.356 19.000 0.047 0.000 0.829 273 A HN 0.695 nan 8.150 nan 0.000 0.442 274 V N -1.486 118.420 119.914 -0.014 0.000 2.759 274 V HA -0.113 4.008 4.120 0.000 0.000 0.256 274 V C 2.073 178.160 176.094 -0.012 0.000 1.080 274 V CA 1.902 64.186 62.300 -0.027 0.000 1.101 274 V CB -0.759 30.980 31.823 -0.141 0.000 0.698 274 V HN 0.436 nan 8.190 nan 0.000 0.477 275 L N -0.370 120.796 121.223 -0.095 0.000 2.217 275 L HA -0.060 4.281 4.340 0.000 0.000 0.211 275 L C 2.638 179.444 176.870 -0.107 0.000 1.107 275 L CA 1.123 55.790 54.840 -0.289 0.000 0.783 275 L CB -0.467 40.939 42.059 -1.088 0.000 0.919 275 L HN 0.268 nan 8.230 nan 0.000 0.442 276 V N 0.183 120.124 119.914 0.045 0.000 2.220 276 V HA -0.379 3.741 4.120 0.000 0.000 0.250 276 V C 2.576 178.764 176.094 0.156 0.000 1.056 276 V CA 2.746 65.146 62.300 0.167 0.000 1.016 276 V CB -1.172 30.744 31.823 0.155 0.000 0.639 276 V HN 0.667 nan 8.190 nan 0.000 0.446 277 T N -2.463 112.180 114.554 0.148 0.000 3.067 277 T HA 0.081 4.432 4.350 0.000 0.000 0.261 277 T C 1.830 176.708 174.700 0.297 0.000 1.110 277 T CA 0.595 62.807 62.100 0.187 0.000 1.113 277 T CB -0.090 68.884 68.868 0.177 0.000 0.917 277 T HN 0.275 nan 8.240 nan 0.000 0.499 278 L N 1.913 123.283 121.223 0.243 0.000 1.988 278 L HA -0.097 4.243 4.340 0.000 0.000 0.207 278 L C 3.237 180.296 176.870 0.315 0.000 1.071 278 L CA 2.177 57.175 54.840 0.263 0.000 0.744 278 L CB -0.918 41.198 42.059 0.096 0.000 0.893 278 L HN 0.499 nan 8.230 nan 0.000 0.433 279 T N -3.300 111.412 114.554 0.264 0.000 2.788 279 T HA -0.120 4.230 4.350 0.000 0.000 0.268 279 T C 1.829 176.695 174.700 0.278 0.000 1.044 279 T CA 1.024 63.340 62.100 0.361 0.000 1.139 279 T CB -1.029 68.118 68.868 0.465 0.000 0.867 279 T HN 0.424 nan 8.240 nan 0.000 0.454 280 G N 1.560 110.495 108.800 0.225 0.000 2.459 280 G HA2 0.023 3.984 3.960 0.000 0.000 0.217 280 G HA3 0.023 3.984 3.960 0.000 0.000 0.217 280 G C 1.793 176.732 174.900 0.065 0.000 1.183 280 G CA 0.721 45.906 45.100 0.141 0.000 0.776 280 G HN 0.666 nan 8.290 nan 0.000 0.552 281 G N 0.799 109.635 108.800 0.061 0.000 2.469 281 G HA2 -0.189 3.771 3.960 0.000 0.000 0.220 281 G HA3 -0.189 3.771 3.960 0.000 0.000 0.220 281 G C 1.782 176.612 174.900 -0.115 0.000 1.136 281 G CA 0.912 45.855 45.100 -0.261 0.000 0.759 281 G HN 0.466 nan 8.290 nan 0.000 0.562 282 I N 0.979 121.625 120.570 0.128 0.000 2.286 282 I HA -0.010 4.160 4.170 0.000 0.000 0.245 282 I C 3.075 179.047 176.117 -0.242 0.000 1.104 282 I CA 0.911 62.151 61.300 -0.100 0.000 1.397 282 I CB -0.382 37.331 38.000 -0.479 0.000 1.072 282 I HN 0.224 nan 8.210 nan 0.000 0.417 283 G N 1.396 110.096 108.800 -0.167 0.000 2.418 283 G HA2 -0.194 3.767 3.960 0.000 0.000 0.217 283 G HA3 -0.194 3.767 3.960 0.000 0.000 0.217 283 G C 1.575 176.510 174.900 0.059 0.000 1.158 283 G CA 0.537 45.621 45.100 -0.028 0.000 0.771 283 G HN 0.168 nan 8.290 nan 0.000 0.545 284 I N 0.459 121.038 120.570 0.015 0.000 2.252 284 I HA -0.026 4.144 4.170 0.000 0.000 0.245 284 I C 2.607 178.765 176.117 0.068 0.000 1.102 284 I CA 0.574 61.892 61.300 0.029 0.000 1.385 284 I CB -1.124 36.806 38.000 -0.117 0.000 1.064 284 I HN 0.143 nan 8.210 nan 0.000 0.414 285 L N 0.703 121.910 121.223 -0.028 0.000 2.131 285 L HA -0.116 4.225 4.340 0.000 0.000 0.210 285 L C 2.195 179.096 176.870 0.051 0.000 1.092 285 L CA 1.675 56.503 54.840 -0.021 0.000 0.759 285 L CB -0.472 41.543 42.059 -0.073 0.000 0.903 285 L HN 0.125 nan 8.230 nan 0.000 0.435 286 L N -1.319 119.962 121.223 0.097 0.000 2.478 286 L HA 0.037 4.377 4.340 0.000 0.000 0.223 286 L C 0.923 177.863 176.870 0.116 0.000 1.140 286 L CA -0.082 54.833 54.840 0.124 0.000 0.842 286 L CB -0.357 41.829 42.059 0.211 0.000 0.953 286 L HN 0.027 nan 8.230 nan 0.000 0.452 287 S N 0.245 116.055 115.700 0.184 0.000 2.455 287 S HA 0.374 4.844 4.470 0.000 0.000 0.278 287 S C 1.128 175.684 174.600 -0.075 0.000 1.216 287 S CA 0.432 58.654 58.200 0.036 0.000 1.055 287 S CB 0.909 64.123 63.200 0.024 0.000 0.939 287 S HN 0.556 nan 8.310 nan 0.000 0.494 288 G N 3.064 111.861 108.800 -0.006 0.000 2.267 288 G HA2 -0.359 3.601 3.960 0.000 0.000 0.257 288 G HA3 -0.359 3.601 3.960 0.000 0.000 0.257 288 G C 1.003 175.905 174.900 0.003 0.000 0.998 288 G CA 0.991 46.142 45.100 0.084 0.000 0.620 288 G HN 0.820 nan 8.290 nan 0.000 0.529 289 T N -2.830 111.718 114.554 -0.010 0.000 3.021 289 T HA 0.419 4.769 4.350 0.000 0.000 0.245 289 T C 2.056 176.737 174.700 -0.030 0.000 1.028 289 T CA 1.876 63.967 62.100 -0.015 0.000 1.139 289 T CB 0.233 69.102 68.868 0.002 0.000 0.884 289 T HN 0.607 nan 8.240 nan 0.000 0.457 290 V N 0.294 120.177 119.914 -0.052 0.000 3.219 290 V HA 0.388 4.508 4.120 0.000 0.000 0.240 290 V C 0.269 176.279 176.094 -0.140 0.000 1.222 290 V CA -0.075 62.189 62.300 -0.059 0.000 1.181 290 V CB 1.134 32.944 31.823 -0.022 0.000 0.941 290 V HN 0.326 nan 8.190 nan 0.000 0.471 291 V N 0.944 120.687 119.914 -0.284 0.000 2.444 291 V HA 0.426 4.547 4.120 0.000 0.000 0.294 291 V C 0.308 176.155 176.094 -0.412 0.000 1.022 291 V CA -0.368 61.621 62.300 -0.517 0.000 0.850 291 V CB 1.666 32.690 31.823 -1.332 0.000 0.992 291 V HN 0.215 nan 8.190 nan 0.000 0.426 292 D N 2.272 122.515 120.400 -0.261 0.000 2.183 292 D HA 0.028 4.668 4.640 0.000 0.000 0.205 292 D C 0.659 176.862 176.300 -0.161 0.000 0.962 292 D CA 1.156 55.061 54.000 -0.159 0.000 0.849 292 D CB 0.375 41.100 40.800 -0.124 0.000 0.978 292 D HN 0.502 nan 8.370 nan 0.000 0.488 293 N N -0.436 118.143 118.700 -0.202 0.000 2.558 293 N HA 0.012 4.752 4.740 0.000 0.000 0.285 293 N C -0.002 175.490 175.510 -0.031 0.000 1.112 293 N CA -0.388 52.621 53.050 -0.068 0.000 0.857 293 N CB 0.470 38.957 38.487 -0.001 0.000 1.376 293 N HN -0.086 nan 8.380 nan 0.000 0.526 294 W N 1.943 123.362 121.300 0.198 0.000 2.358 294 W HA -0.179 4.481 4.660 0.000 0.000 0.303 294 W C 1.842 178.537 176.519 0.294 0.000 1.208 294 W CA 0.756 58.261 57.345 0.267 0.000 1.274 294 W CB -0.348 29.272 29.460 0.267 0.000 1.138 294 W HN 0.679 nan 8.180 nan 0.000 0.515 295 Y N 0.732 121.150 120.300 0.196 0.000 2.114 295 Y HA -0.322 4.228 4.550 0.000 0.000 0.282 295 Y C 2.226 178.050 175.900 -0.127 0.000 1.165 295 Y CA 2.205 60.128 58.100 -0.294 0.000 1.148 295 Y CB -0.882 37.340 38.460 -0.396 0.000 0.972 295 Y HN -0.215 nan 8.280 nan 0.000 0.504 296 V N -0.762 119.145 119.914 -0.012 0.000 2.261 296 V HA -0.311 3.810 4.120 0.000 0.000 0.246 296 V C 2.102 178.147 176.094 -0.081 0.000 1.047 296 V CA 2.013 64.257 62.300 -0.094 0.000 1.015 296 V CB -1.157 30.674 31.823 0.013 0.000 0.642 296 V HN 0.718 nan 8.190 nan 0.000 0.446 297 W N 1.432 122.654 121.300 -0.130 0.000 2.318 297 W HA -0.178 4.482 4.660 0.000 0.000 0.313 297 W C 2.308 178.793 176.519 -0.058 0.000 1.221 297 W CA 2.076 59.376 57.345 -0.076 0.000 1.266 297 W CB -0.704 28.723 29.460 -0.056 0.000 1.150 297 W HN 0.260 nan 8.180 nan 0.000 0.496 298 G N -0.508 108.409 108.800 0.195 0.000 2.470 298 G HA2 -0.257 3.703 3.960 0.000 0.000 0.220 298 G HA3 -0.257 3.703 3.960 0.000 0.000 0.220 298 G C 1.401 176.018 174.900 -0.471 0.000 1.121 298 G CA 0.870 45.949 45.100 -0.036 0.000 0.766 298 G HN 0.299 nan 8.290 nan 0.000 0.553 299 Q N 0.319 119.821 119.800 -0.497 0.000 2.245 299 Q HA 0.039 4.379 4.340 0.000 0.000 0.201 299 Q C 1.786 177.492 176.000 -0.489 0.000 0.955 299 Q CA 0.558 56.053 55.803 -0.514 0.000 0.870 299 Q CB -0.056 28.392 28.738 -0.484 0.000 0.945 299 Q HN 0.500 nan 8.270 nan 0.000 0.461 300 N N 0.350 118.764 118.700 -0.477 0.000 2.299 300 N HA -0.032 4.709 4.740 0.000 0.000 0.187 300 N C -0.280 174.985 175.510 -0.408 0.000 1.099 300 N CA 0.050 52.871 53.050 -0.382 0.000 0.867 300 N CB 0.110 38.423 38.487 -0.290 0.000 0.974 300 N HN 0.422 nan 8.380 nan 0.000 0.477 301 H N -0.288 118.436 119.070 -0.576 0.000 2.449 301 H HA -0.176 4.380 4.556 0.000 0.000 0.324 301 H C 0.427 175.125 175.328 -1.050 0.000 1.010 301 H CA 0.778 56.248 56.048 -0.962 0.000 1.124 301 H CB -1.775 27.672 29.762 -0.525 0.000 1.471 301 H HN 0.394 nan 8.280 nan 0.000 0.394 302 G N -1.184 107.059 108.800 -0.929 0.000 4.003 302 G HA2 0.528 4.488 3.960 0.000 0.000 0.234 302 G HA3 0.528 4.488 3.960 0.000 0.000 0.234 302 G C -0.342 174.431 174.900 -0.212 0.000 3.841 302 G CA 0.148 44.980 45.100 -0.446 0.000 0.584 302 G HN 0.719 nan 8.290 nan 0.000 0.240 303 M N 0.000 119.491 119.600 -0.182 0.000 2.572 303 M HA 0.000 4.480 4.480 0.000 0.000 0.227 303 M CA 0.000 nan 55.300 nan 0.000 0.988 303 M CB 0.000 nan 32.600 nan 0.000 1.302 303 M HN 0.000 nan 8.290 nan 0.000 0.411