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 2j8c_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 52.054 52.037 0.028 0.000 0.836 1 A CB 0.000 19.000 19.000 0.000 0.000 0.831 2 E N 0.682 120.904 120.200 0.037 0.000 2.392 2 E HA 0.353 4.704 4.350 0.000 0.000 0.264 2 E C -0.493 176.160 176.600 0.089 0.000 1.024 2 E CA -0.071 56.361 56.400 0.054 0.000 0.903 2 E CB 0.303 30.016 29.700 0.021 0.000 0.963 2 E HN 0.836 nan 8.360 nan 0.000 0.432 3 Y N 3.726 124.019 120.300 -0.012 0.000 2.526 3 Y HA 0.052 4.602 4.550 0.000 0.000 0.330 3 Y C 0.306 176.193 175.900 -0.021 0.000 1.156 3 Y CA 0.279 58.375 58.100 -0.007 0.000 1.419 3 Y CB 0.910 39.367 38.460 -0.005 0.000 1.250 3 Y HN 0.585 nan 8.280 nan 0.000 0.540 4 Q N 3.932 123.393 119.800 -0.565 0.000 2.247 4 Q HA 0.027 4.367 4.340 0.000 0.000 0.211 4 Q C 0.307 175.903 176.000 -0.673 0.000 0.861 4 Q CA 0.320 55.826 55.803 -0.494 0.000 0.949 4 Q CB -0.050 28.541 28.738 -0.246 0.000 1.115 4 Q HN 0.901 nan 8.270 nan 0.000 0.507 5 N N 0.303 118.242 118.700 -1.268 0.000 2.776 5 N HA -0.159 4.581 4.740 0.000 0.000 0.250 5 N C 0.316 175.603 175.510 -0.372 0.000 1.112 5 N CA 0.349 52.944 53.050 -0.758 0.000 0.733 5 N CB -0.875 37.342 38.487 -0.450 0.000 1.097 5 N HN 0.176 nan 8.380 nan 0.000 0.558 6 I N -1.376 118.987 120.570 -0.345 0.000 2.494 6 I HA 0.095 4.265 4.170 0.000 0.000 0.250 6 I C 0.719 176.550 176.117 -0.476 0.000 1.112 6 I CA 1.101 62.165 61.300 -0.393 0.000 1.438 6 I CB -0.588 37.162 38.000 -0.417 0.000 1.111 6 I HN 0.024 nan 8.210 nan 0.000 0.431 7 F N 0.101 120.144 119.950 0.154 0.000 2.561 7 F HA 0.418 4.945 4.527 0.000 0.000 0.321 7 F C 0.823 176.837 175.800 0.357 0.000 1.065 7 F CA -0.920 57.246 58.000 0.277 0.000 0.934 7 F CB 1.199 40.349 39.000 0.249 0.000 1.215 7 F HN -0.338 nan 8.300 nan 0.000 0.471 8 S N 0.983 117.037 115.700 0.590 0.000 2.580 8 S HA 0.141 4.611 4.470 0.000 0.000 0.274 8 S C 0.791 175.672 174.600 0.468 0.000 1.329 8 S CA -0.567 57.913 58.200 0.467 0.000 1.036 8 S CB 1.217 64.608 63.200 0.317 0.000 0.919 8 S HN 0.685 nan 8.310 nan 0.000 0.515 9 Q N 0.387 120.310 119.800 0.206 0.000 2.250 9 Q HA 0.142 4.482 4.340 0.000 0.000 0.200 9 Q C -0.369 175.765 176.000 0.222 0.000 0.941 9 Q CA 0.646 56.522 55.803 0.120 0.000 0.872 9 Q CB 0.253 28.887 28.738 -0.174 0.000 0.965 9 Q HN 0.414 nan 8.270 nan 0.000 0.480 10 V N 1.440 121.439 119.914 0.141 0.000 2.623 10 V HA 0.224 4.344 4.120 0.000 0.000 0.304 10 V C -0.850 175.251 176.094 0.011 0.000 1.054 10 V CA -0.835 61.512 62.300 0.078 0.000 0.882 10 V CB 1.869 33.700 31.823 0.012 0.000 1.002 10 V HN 0.115 nan 8.190 nan 0.000 0.424 11 Q N 2.541 122.288 119.800 -0.088 0.000 2.222 11 Q HA 0.788 5.128 4.340 0.000 0.000 0.252 11 Q C -0.643 175.286 176.000 -0.118 0.000 0.926 11 Q CA -0.704 55.005 55.803 -0.157 0.000 0.899 11 Q CB 2.708 31.243 28.738 -0.337 0.000 1.250 11 Q HN 0.761 nan 8.270 nan 0.000 0.441 12 V N -0.911 118.943 119.914 -0.100 0.000 2.914 12 V HA 0.798 4.919 4.120 0.000 0.000 0.314 12 V C -0.890 175.136 176.094 -0.113 0.000 1.084 12 V CA -1.031 61.213 62.300 -0.093 0.000 0.963 12 V CB 2.194 33.980 31.823 -0.061 0.000 1.025 12 V HN 0.825 nan 8.190 nan 0.000 0.432 13 R N 0.932 121.347 120.500 -0.141 0.000 2.651 13 R HA 0.762 5.103 4.340 0.000 0.000 0.278 13 R C -0.258 175.943 176.300 -0.165 0.000 1.010 13 R CA 0.142 56.123 56.100 -0.198 0.000 0.896 13 R CB 2.260 32.337 30.300 -0.372 0.000 1.211 13 R HN 1.258 nan 8.270 nan 0.000 0.456 14 G N 2.210 110.934 108.800 -0.127 0.000 3.211 14 G HA2 0.558 4.519 3.960 0.000 0.000 0.262 14 G HA3 0.558 4.519 3.960 0.000 0.000 0.262 14 G C -2.572 172.294 174.900 -0.057 0.000 1.352 14 G CA -1.121 43.931 45.100 -0.080 0.000 1.004 14 G HN 0.427 nan 8.290 nan 0.000 0.559 15 P HA 0.367 nan 4.420 nan 0.000 0.265 15 P C 0.193 177.574 177.300 0.135 0.000 1.187 15 P CA 0.053 63.179 63.100 0.043 0.000 0.766 15 P CB 0.565 32.282 31.700 0.029 0.000 0.820 16 A N 2.540 125.498 122.820 0.231 0.000 2.587 16 A HA -0.016 4.304 4.320 0.000 0.000 0.235 16 A C 0.505 178.158 177.584 0.115 0.000 1.044 16 A CA 0.325 52.521 52.037 0.266 0.000 0.754 16 A CB -0.309 18.791 19.000 0.167 0.000 0.968 16 A HN 0.537 nan 8.150 nan 0.000 0.509 17 D N 2.487 122.936 120.400 0.083 0.000 2.347 17 D HA 0.307 4.947 4.640 0.000 0.000 0.235 17 D C 0.742 177.045 176.300 0.005 0.000 1.149 17 D CA -0.139 53.883 54.000 0.037 0.000 0.850 17 D CB 0.686 41.505 40.800 0.033 0.000 1.061 17 D HN 0.467 nan 8.370 nan 0.000 0.487 18 L N 2.984 124.210 121.223 0.005 0.000 2.558 18 L HA 0.246 4.586 4.340 0.000 0.000 0.225 18 L C 1.434 178.299 176.870 -0.009 0.000 1.128 18 L CA 0.196 55.033 54.840 -0.005 0.000 0.868 18 L CB -0.605 41.454 42.059 0.000 0.000 1.006 18 L HN 0.619 nan 8.230 nan 0.000 0.454 19 G N 0.144 108.938 108.800 -0.010 0.000 2.710 19 G HA2 -0.174 3.786 3.960 0.000 0.000 0.668 19 G HA3 -0.174 3.786 3.960 0.000 0.000 0.668 19 G C -0.445 174.444 174.900 -0.019 0.000 1.320 19 G CA -0.942 44.147 45.100 -0.018 0.000 0.860 19 G HN -0.139 nan 8.290 nan 0.000 0.538 20 M N 0.596 120.178 119.600 -0.029 0.000 2.233 20 M HA 0.305 4.785 4.480 0.000 0.000 0.350 20 M C 1.729 178.010 176.300 -0.032 0.000 1.176 20 M CA 0.364 55.644 55.300 -0.032 0.000 1.150 20 M CB 0.347 32.921 32.600 -0.043 0.000 1.530 20 M HN 0.691 nan 8.290 nan 0.000 0.459 21 T N 0.568 115.105 114.554 -0.027 0.000 2.837 21 T HA -0.003 4.347 4.350 0.000 0.000 0.248 21 T C 0.746 175.425 174.700 -0.036 0.000 1.033 21 T CA 0.313 62.399 62.100 -0.023 0.000 1.150 21 T CB 0.169 69.028 68.868 -0.015 0.000 0.865 21 T HN 0.614 nan 8.240 nan 0.000 0.425 22 E N 1.069 121.246 120.200 -0.038 0.000 3.439 22 E HA -0.218 4.132 4.350 0.000 0.000 0.385 22 E C 0.215 176.790 176.600 -0.041 0.000 1.557 22 E CA 1.662 58.035 56.400 -0.045 0.000 1.684 22 E CB -1.227 28.436 29.700 -0.062 0.000 1.677 22 E HN 0.384 nan 8.360 nan 0.000 0.455 23 D N 0.979 121.346 120.400 -0.054 0.000 2.342 23 D HA 0.172 4.812 4.640 0.000 0.000 0.221 23 D C -0.086 176.185 176.300 -0.048 0.000 1.101 23 D CA 0.090 54.062 54.000 -0.047 0.000 0.837 23 D CB 0.190 40.959 40.800 -0.052 0.000 0.938 23 D HN -0.043 nan 8.370 nan 0.000 0.508 24 V N 1.987 121.869 119.914 -0.053 0.000 2.655 24 V HA -0.050 4.070 4.120 0.000 0.000 0.300 24 V C 0.943 177.063 176.094 0.043 0.000 1.044 24 V CA -0.505 61.771 62.300 -0.039 0.000 1.095 24 V CB 0.788 32.582 31.823 -0.049 0.000 0.952 24 V HN 0.082 nan 8.190 nan 0.000 0.485 25 N N 4.547 123.318 118.700 0.119 0.000 2.406 25 N HA 0.107 4.847 4.740 0.000 0.000 0.269 25 N C 0.829 176.420 175.510 0.135 0.000 1.210 25 N CA 0.182 53.308 53.050 0.126 0.000 0.966 25 N CB 0.371 38.943 38.487 0.142 0.000 1.293 25 N HN 0.663 nan 8.380 nan 0.000 0.491 26 L N 2.162 123.424 121.223 0.065 0.000 2.265 26 L HA -0.127 4.213 4.340 0.000 0.000 0.215 26 L C 2.072 178.941 176.870 -0.002 0.000 1.117 26 L CA 0.913 55.778 54.840 0.042 0.000 0.782 26 L CB -0.397 41.673 42.059 0.019 0.000 0.914 26 L HN 0.527 nan 8.230 nan 0.000 0.441 27 A N 0.032 122.842 122.820 -0.016 0.000 2.125 27 A HA -0.144 4.176 4.320 0.000 0.000 0.219 27 A C 1.787 179.305 177.584 -0.110 0.000 1.156 27 A CA 1.342 53.350 52.037 -0.049 0.000 0.671 27 A CB -0.341 18.637 19.000 -0.038 0.000 0.794 27 A HN 0.422 nan 8.150 nan 0.000 0.459 28 N N -0.294 118.297 118.700 -0.181 0.000 2.280 28 N HA 0.057 4.798 4.740 0.000 0.000 0.192 28 N C 0.086 175.314 175.510 -0.469 0.000 1.109 28 N CA 0.146 52.937 53.050 -0.432 0.000 0.855 28 N CB 0.148 38.148 38.487 -0.812 0.000 0.974 28 N HN 0.459 nan 8.380 nan 0.000 0.482 29 R N 0.991 121.370 120.500 -0.201 0.000 2.357 29 R HA 0.201 4.541 4.340 0.000 0.000 0.296 29 R C 0.835 177.083 176.300 -0.086 0.000 1.052 29 R CA -0.198 55.845 56.100 -0.096 0.000 0.988 29 R CB 0.965 31.269 30.300 0.008 0.000 1.025 29 R HN 0.111 nan 8.270 nan 0.000 0.469 30 S N 1.234 116.891 115.700 -0.071 0.000 2.617 30 S HA 0.240 4.710 4.470 0.000 0.000 0.255 30 S C 0.724 175.300 174.600 -0.040 0.000 1.318 30 S CA -0.538 57.629 58.200 -0.054 0.000 0.978 30 S CB 0.834 64.007 63.200 -0.045 0.000 0.961 30 S HN 0.652 nan 8.310 nan 0.000 0.582 31 G N -0.663 108.116 108.800 -0.035 0.000 2.580 31 G HA2 0.484 4.444 3.960 0.000 0.000 0.278 31 G HA3 0.484 4.444 3.960 0.000 0.000 0.278 31 G C 0.220 175.094 174.900 -0.044 0.000 1.212 31 G CA -0.443 44.638 45.100 -0.031 0.000 0.939 31 G HN 1.513 nan 8.290 nan 0.000 0.513 32 V N -0.873 119.010 119.914 -0.053 0.000 3.096 32 V HA 0.673 4.793 4.120 0.000 0.000 0.306 32 V C 0.997 177.032 176.094 -0.099 0.000 1.088 32 V CA 0.064 62.305 62.300 -0.099 0.000 1.129 32 V CB 0.553 32.291 31.823 -0.141 0.000 1.014 32 V HN 0.961 nan 8.190 nan 0.000 0.486 33 G N 2.247 110.963 108.800 -0.140 0.000 2.543 33 G HA2 0.657 4.617 3.960 0.000 0.000 0.267 33 G HA3 0.657 4.617 3.960 0.000 0.000 0.267 33 G C -2.430 172.384 174.900 -0.144 0.000 1.406 33 G CA -1.122 43.913 45.100 -0.110 0.000 1.048 33 G HN 0.848 nan 8.290 nan 0.000 0.548 34 P HA 0.278 nan 4.420 nan 0.000 0.274 34 P C -1.157 176.078 177.300 -0.107 0.000 1.246 34 P CA -0.217 62.865 63.100 -0.030 0.000 0.795 34 P CB 0.752 32.459 31.700 0.012 0.000 1.006 35 F N -0.050 119.889 119.950 -0.018 0.000 2.394 35 F HA 0.286 4.813 4.527 0.000 0.000 0.340 35 F C 1.338 177.120 175.800 -0.030 0.000 1.105 35 F CA 0.126 58.109 58.000 -0.028 0.000 1.124 35 F CB 1.294 40.270 39.000 -0.040 0.000 1.145 35 F HN 0.131 nan 8.300 nan 0.000 0.505 36 S N 1.888 117.667 115.700 0.133 0.000 2.520 36 S HA 0.215 4.685 4.470 0.000 0.000 0.324 36 S C 0.731 175.345 174.600 0.024 0.000 1.069 36 S CA -0.589 57.653 58.200 0.070 0.000 1.121 36 S CB 0.872 64.100 63.200 0.047 0.000 0.971 36 S HN 0.731 nan 8.310 nan 0.000 0.463 37 T N 5.303 119.845 114.554 -0.020 0.000 2.833 37 T HA -0.100 4.250 4.350 0.000 0.000 0.269 37 T C 1.724 176.291 174.700 -0.221 0.000 1.054 37 T CA 1.452 63.447 62.100 -0.175 0.000 1.135 37 T CB -0.306 68.482 68.868 -0.132 0.000 0.869 37 T HN 0.587 nan 8.240 nan 0.000 0.466 38 L N 0.846 122.087 121.223 0.029 0.000 1.994 38 L HA -0.000 4.340 4.340 0.000 0.000 0.208 38 L C 2.056 179.042 176.870 0.194 0.000 1.071 38 L CA 1.580 56.540 54.840 0.201 0.000 0.745 38 L CB -0.769 41.387 42.059 0.163 0.000 0.892 38 L HN 0.101 nan 8.230 nan 0.000 0.431 39 L N 0.356 121.648 121.223 0.114 0.000 2.079 39 L HA -0.094 4.247 4.340 0.000 0.000 0.210 39 L C 2.511 179.469 176.870 0.146 0.000 1.081 39 L CA 1.948 56.874 54.840 0.144 0.000 0.752 39 L CB -1.921 40.195 42.059 0.095 0.000 0.896 39 L HN 0.452 nan 8.230 nan 0.000 0.433 40 G N -2.306 106.489 108.800 -0.008 0.000 2.498 40 G HA2 -0.276 3.685 3.960 0.000 0.000 0.219 40 G HA3 -0.276 3.685 3.960 0.000 0.000 0.219 40 G C 1.315 176.160 174.900 -0.092 0.000 1.119 40 G CA 0.328 45.369 45.100 -0.098 0.000 0.766 40 G HN 0.487 nan 8.290 nan 0.000 0.552 41 W N -1.321 120.094 121.300 0.190 0.000 2.519 41 W HA 0.245 4.905 4.660 0.000 0.000 0.266 41 W C 1.850 178.641 176.519 0.454 0.000 1.253 41 W CA -0.191 57.309 57.345 0.258 0.000 1.274 41 W CB -0.080 29.481 29.460 0.169 0.000 1.114 41 W HN 0.190 nan 8.180 nan 0.000 0.596 42 F N -1.218 118.982 119.950 0.417 0.000 2.640 42 F HA 0.455 4.983 4.527 0.000 0.000 0.285 42 F C 1.326 177.213 175.800 0.144 0.000 1.031 42 F CA 0.994 59.183 58.000 0.314 0.000 1.240 42 F CB -0.168 39.031 39.000 0.331 0.000 1.011 42 F HN -0.255 nan 8.300 nan 0.000 0.656 43 G N -0.318 108.614 108.800 0.219 0.000 3.166 43 G HA2 0.199 4.159 3.960 0.000 0.000 0.267 43 G HA3 0.199 4.159 3.960 0.000 0.000 0.267 43 G C -1.320 173.622 174.900 0.070 0.000 1.256 43 G CA -0.814 44.332 45.100 0.076 0.000 0.859 43 G HN -0.083 nan 8.290 nan 0.000 0.590 44 N N 0.264 118.993 118.700 0.048 0.000 2.492 44 N HA 0.294 5.034 4.740 0.000 0.000 0.260 44 N C 1.216 176.757 175.510 0.052 0.000 1.215 44 N CA 0.514 53.589 53.050 0.041 0.000 0.923 44 N CB 1.675 40.177 38.487 0.025 0.000 1.092 44 N HN 0.530 nan 8.380 nan 0.000 0.448 45 A N 2.633 125.497 122.820 0.073 0.000 2.016 45 A HA -0.078 4.242 4.320 0.000 0.000 0.217 45 A C 1.007 178.633 177.584 0.070 0.000 1.162 45 A CA 0.587 52.688 52.037 0.107 0.000 0.662 45 A CB -0.154 18.948 19.000 0.169 0.000 0.812 45 A HN 0.773 nan 8.150 nan 0.000 0.450 46 Q N 0.842 120.633 119.800 -0.015 0.000 2.297 46 Q HA 0.330 4.670 4.340 0.000 0.000 0.267 46 Q C -1.231 174.609 176.000 -0.267 0.000 1.006 46 Q CA -0.228 55.346 55.803 -0.381 0.000 0.896 46 Q CB 0.360 28.898 28.738 -0.333 0.000 1.186 46 Q HN 0.249 nan 8.270 nan 0.000 0.392 47 L N 3.909 124.934 121.223 -0.331 0.000 2.309 47 L HA 0.586 4.927 4.340 0.000 0.000 0.282 47 L C 0.819 177.570 176.870 -0.199 0.000 1.036 47 L CA 0.902 55.625 54.840 -0.194 0.000 0.806 47 L CB 0.362 42.338 42.059 -0.138 0.000 1.220 47 L HN 1.000 nan 8.230 nan 0.000 0.429 48 G N 4.905 113.631 108.800 -0.123 0.000 2.796 48 G HA2 -0.142 3.819 3.960 0.000 0.000 0.226 48 G HA3 -0.142 3.819 3.960 0.000 0.000 0.226 48 G C -2.825 172.012 174.900 -0.104 0.000 1.381 48 G CA -0.909 44.133 45.100 -0.096 0.000 0.867 48 G HN 0.443 nan 8.290 nan 0.000 0.552 49 P HA 0.566 nan 4.420 nan 0.000 0.274 49 P C -0.023 177.265 177.300 -0.020 0.000 1.256 49 P CA -0.433 62.641 63.100 -0.044 0.000 0.795 49 P CB 0.828 32.511 31.700 -0.029 0.000 1.038 50 I N -0.004 120.562 120.570 -0.007 0.000 2.646 50 I HA 0.369 4.539 4.170 0.000 0.000 0.299 50 I C -1.032 175.111 176.117 0.043 0.000 1.036 50 I CA -1.419 59.895 61.300 0.024 0.000 1.074 50 I CB 1.666 39.681 38.000 0.026 0.000 1.258 50 I HN 0.199 nan 8.210 nan 0.000 0.430 51 Y N 6.850 127.115 120.300 -0.058 0.000 2.336 51 Y HA 0.296 4.846 4.550 0.000 0.000 0.335 51 Y C -0.491 175.374 175.900 -0.059 0.000 1.046 51 Y CA -0.188 57.870 58.100 -0.069 0.000 1.198 51 Y CB 0.867 39.267 38.460 -0.101 0.000 1.182 51 Y HN 0.485 nan 8.280 nan 0.000 0.502 52 L N 4.002 124.953 121.223 -0.453 0.000 2.575 52 L HA 0.608 4.948 4.340 0.000 0.000 0.188 52 L C 1.091 177.777 176.870 -0.306 0.000 1.290 52 L CA 0.892 55.572 54.840 -0.266 0.000 2.165 52 L CB -1.367 40.556 42.059 -0.226 0.000 1.984 52 L HN 0.902 nan 8.230 nan 0.000 1.006 53 G N -0.915 107.681 108.800 -0.339 0.000 2.814 53 G HA2 -0.198 3.763 3.960 0.000 0.000 0.677 53 G HA3 -0.198 3.763 3.960 0.000 0.000 0.677 53 G C 0.650 175.524 174.900 -0.044 0.000 1.429 53 G CA 0.365 45.359 45.100 -0.178 0.000 0.868 53 G HN 0.671 nan 8.290 nan 0.000 0.553 54 S N -0.305 115.390 115.700 -0.007 0.000 2.387 54 S HA 0.043 4.513 4.470 0.000 0.000 0.226 54 S C 2.413 177.035 174.600 0.036 0.000 1.026 54 S CA 1.378 59.582 58.200 0.007 0.000 0.972 54 S CB -0.132 63.071 63.200 0.004 0.000 0.814 54 S HN 0.871 nan 8.310 nan 0.000 0.477 55 L N 1.539 122.791 121.223 0.048 0.000 2.083 55 L HA -0.027 4.314 4.340 0.000 0.000 0.209 55 L C 2.714 179.627 176.870 0.072 0.000 1.083 55 L CA 1.626 56.501 54.840 0.058 0.000 0.752 55 L CB -1.281 40.800 42.059 0.036 0.000 0.899 55 L HN 0.564 nan 8.230 nan 0.000 0.433 56 G N -0.978 107.858 108.800 0.059 0.000 2.418 56 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 56 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 56 G C 1.577 176.551 174.900 0.125 0.000 1.158 56 G CA 0.840 45.989 45.100 0.082 0.000 0.771 56 G HN 0.261 nan 8.290 nan 0.000 0.545 57 V N 0.703 120.667 119.914 0.084 0.000 2.343 57 V HA -0.127 3.993 4.120 0.000 0.000 0.247 57 V C 2.684 178.869 176.094 0.150 0.000 1.051 57 V CA 1.621 63.978 62.300 0.094 0.000 1.036 57 V CB -0.396 31.449 31.823 0.036 0.000 0.654 57 V HN 0.368 nan 8.190 nan 0.000 0.451 58 L N 0.289 121.595 121.223 0.138 0.000 2.012 58 L HA -0.159 4.181 4.340 0.000 0.000 0.210 58 L C 2.502 179.515 176.870 0.238 0.000 1.073 58 L CA 2.374 57.329 54.840 0.191 0.000 0.748 58 L CB -0.768 41.381 42.059 0.149 0.000 0.891 58 L HN 0.317 nan 8.230 nan 0.000 0.431 59 S N -0.376 115.453 115.700 0.215 0.000 2.356 59 S HA -0.173 4.297 4.470 0.000 0.000 0.223 59 S C 1.824 176.526 174.600 0.170 0.000 1.032 59 S CA 1.515 59.854 58.200 0.232 0.000 1.005 59 S CB -0.713 62.729 63.200 0.402 0.000 0.867 59 S HN 0.474 nan 8.310 nan 0.000 0.449 60 L N 1.100 122.434 121.223 0.185 0.000 2.046 60 L HA 0.014 4.354 4.340 0.000 0.000 0.208 60 L C 1.964 178.889 176.870 0.092 0.000 1.077 60 L CA 1.628 56.531 54.840 0.105 0.000 0.747 60 L CB -0.863 41.270 42.059 0.123 0.000 0.896 60 L HN 0.293 nan 8.230 nan 0.000 0.432 61 F N -0.627 119.338 119.950 0.025 0.000 2.102 61 F HA -0.197 4.331 4.527 0.000 0.000 0.298 61 F C 2.744 178.522 175.800 -0.037 0.000 1.105 61 F CA 1.876 59.882 58.000 0.010 0.000 1.239 61 F CB -0.760 38.262 39.000 0.037 0.000 0.991 61 F HN 0.163 nan 8.300 nan 0.000 0.474 62 S N -0.140 115.568 115.700 0.015 0.000 2.368 62 S HA -0.076 4.395 4.470 0.000 0.000 0.224 62 S C 2.312 176.833 174.600 -0.131 0.000 1.029 62 S CA 1.302 59.465 58.200 -0.061 0.000 0.988 62 S CB -1.168 62.146 63.200 0.189 0.000 0.838 62 S HN 0.589 nan 8.310 nan 0.000 0.462 63 G N 1.450 110.197 108.800 -0.090 0.000 2.418 63 G HA2 -0.103 3.857 3.960 0.000 0.000 0.217 63 G HA3 -0.103 3.857 3.960 0.000 0.000 0.217 63 G C 1.404 176.248 174.900 -0.093 0.000 1.158 63 G CA 0.746 45.794 45.100 -0.086 0.000 0.771 63 G HN 0.498 nan 8.290 nan 0.000 0.545 64 L N 0.007 121.082 121.223 -0.246 0.000 2.046 64 L HA -0.099 4.241 4.340 0.000 0.000 0.208 64 L C 3.093 179.670 176.870 -0.488 0.000 1.077 64 L CA 0.801 55.380 54.840 -0.434 0.000 0.747 64 L CB -0.317 41.560 42.059 -0.302 0.000 0.896 64 L HN 0.157 nan 8.230 nan 0.000 0.432 65 M N -1.419 117.849 119.600 -0.555 0.000 2.159 65 M HA -0.242 4.238 4.480 0.000 0.000 0.263 65 M C 2.097 178.148 176.300 -0.415 0.000 1.063 65 M CA 1.661 56.512 55.300 -0.747 0.000 1.110 65 M CB -1.253 30.247 32.600 -1.833 0.000 1.374 65 M HN 0.452 nan 8.290 nan 0.000 0.411 66 W N 0.746 121.822 121.300 -0.375 0.000 2.333 66 W HA -0.289 4.371 4.660 0.000 0.000 0.316 66 W C 2.244 178.639 176.519 -0.206 0.000 1.215 66 W CA 1.676 58.916 57.345 -0.175 0.000 1.278 66 W CB -0.925 28.439 29.460 -0.161 0.000 1.154 66 W HN 0.171 nan 8.180 nan 0.000 0.486 67 F N -0.068 119.569 119.950 -0.522 0.000 2.134 67 F HA -0.140 4.387 4.527 0.000 0.000 0.299 67 F C 2.132 177.609 175.800 -0.538 0.000 1.097 67 F CA 2.058 59.583 58.000 -0.792 0.000 1.264 67 F CB -1.004 37.604 39.000 -0.653 0.000 1.001 67 F HN -0.102 nan 8.300 nan 0.000 0.479 68 F N -0.670 119.141 119.950 -0.232 0.000 2.259 68 F HA -0.170 4.357 4.527 0.000 0.000 0.298 68 F C 2.362 178.028 175.800 -0.223 0.000 1.088 68 F CA 1.077 58.935 58.000 -0.236 0.000 1.358 68 F CB -0.809 38.113 39.000 -0.130 0.000 1.040 68 F HN -0.163 nan 8.300 nan 0.000 0.505 69 T N 1.039 115.563 114.554 -0.050 0.000 2.708 69 T HA -0.181 4.169 4.350 0.000 0.000 0.266 69 T C 1.945 176.582 174.700 -0.105 0.000 1.037 69 T CA 1.442 63.529 62.100 -0.022 0.000 1.146 69 T CB -0.420 68.470 68.868 0.038 0.000 0.865 69 T HN 0.174 nan 8.240 nan 0.000 0.435 70 I N 1.157 121.496 120.570 -0.386 0.000 2.179 70 I HA -0.101 4.069 4.170 0.000 0.000 0.242 70 I C 2.939 178.716 176.117 -0.567 0.000 1.088 70 I CA 1.366 62.355 61.300 -0.519 0.000 1.357 70 I CB -0.830 36.616 38.000 -0.923 0.000 1.051 70 I HN 0.310 nan 8.210 nan 0.000 0.409 71 G N 0.991 109.459 108.800 -0.553 0.000 2.418 71 G HA2 -0.267 3.693 3.960 0.000 0.000 0.217 71 G HA3 -0.267 3.693 3.960 0.000 0.000 0.217 71 G C 1.686 176.675 174.900 0.149 0.000 1.158 71 G CA 0.717 45.647 45.100 -0.284 0.000 0.771 71 G HN 0.294 nan 8.290 nan 0.000 0.545 72 I N -0.410 120.265 120.570 0.174 0.000 2.226 72 I HA -0.061 4.109 4.170 0.000 0.000 0.245 72 I C 2.350 178.622 176.117 0.257 0.000 1.100 72 I CA 0.933 62.399 61.300 0.276 0.000 1.374 72 I CB -0.217 37.924 38.000 0.235 0.000 1.057 72 I HN 0.464 nan 8.210 nan 0.000 0.413 73 W N 0.161 121.508 121.300 0.079 0.000 2.338 73 W HA -0.306 4.355 4.660 0.000 0.000 0.304 73 W C 2.035 178.660 176.519 0.178 0.000 1.212 73 W CA 1.218 58.648 57.345 0.142 0.000 1.264 73 W CB -0.358 29.206 29.460 0.173 0.000 1.142 73 W HN 0.125 nan 8.180 nan 0.000 0.512 74 F N -0.398 119.428 119.950 -0.206 0.000 2.102 74 F HA -0.135 4.393 4.527 0.000 0.000 0.298 74 F C 2.103 177.368 175.800 -0.892 0.000 1.105 74 F CA 1.143 58.733 58.000 -0.683 0.000 1.239 74 F CB -1.725 37.027 39.000 -0.413 0.000 0.991 74 F HN -0.097 nan 8.300 nan 0.000 0.474 75 W N -1.139 119.987 121.300 -0.289 0.000 2.335 75 W HA -0.277 4.383 4.660 0.000 0.000 0.311 75 W C 2.647 178.445 176.519 -1.201 0.000 1.213 75 W CA 1.848 58.832 57.345 -0.601 0.000 1.274 75 W CB -1.231 27.925 29.460 -0.506 0.000 1.148 75 W HN 0.072 nan 8.180 nan 0.000 0.498 76 Y N 1.305 120.878 120.300 -1.210 0.000 2.128 76 Y HA -0.344 4.206 4.550 0.000 0.000 0.284 76 Y C 2.396 177.755 175.900 -0.901 0.000 1.154 76 Y CA 2.341 59.694 58.100 -1.245 0.000 1.149 76 Y CB -0.848 37.186 38.460 -0.709 0.000 0.976 76 Y HN 0.030 nan 8.280 nan 0.000 0.505 77 Q N -0.416 118.793 119.800 -0.985 0.000 2.234 77 Q HA -0.163 4.177 4.340 0.000 0.000 0.206 77 Q C 2.176 177.845 176.000 -0.550 0.000 0.980 77 Q CA 1.166 56.481 55.803 -0.813 0.000 0.869 77 Q CB -0.329 27.997 28.738 -0.686 0.000 0.912 77 Q HN 0.615 nan 8.270 nan 0.000 0.436 78 A N 0.204 122.636 122.820 -0.647 0.000 2.235 78 A HA 0.233 4.553 4.320 0.000 0.000 0.208 78 A C 1.447 178.907 177.584 -0.206 0.000 1.172 78 A CA 0.682 52.560 52.037 -0.265 0.000 0.786 78 A CB -0.452 18.425 19.000 -0.205 0.000 0.804 78 A HN 0.444 nan 8.150 nan 0.000 0.479 79 G N -2.266 106.292 108.800 -0.403 0.000 2.283 79 G HA2 -0.313 3.648 3.960 0.000 0.000 0.280 79 G HA3 -0.313 3.648 3.960 0.000 0.000 0.280 79 G C 0.297 175.216 174.900 0.033 0.000 1.029 79 G CA 0.317 45.274 45.100 -0.238 0.000 0.840 79 G HN 1.142 nan 8.290 nan 0.000 0.505 80 W N -2.419 118.947 121.300 0.109 0.000 3.520 80 W HA -0.198 4.462 4.660 0.000 0.000 0.305 80 W C 0.639 177.315 176.519 0.262 0.000 1.150 80 W CA 0.310 57.790 57.345 0.225 0.000 0.656 80 W CB -1.952 27.553 29.460 0.075 0.000 2.198 80 W HN 0.620 nan 8.180 nan 0.000 1.417 81 N N 0.996 119.905 118.700 0.347 0.000 2.426 81 N HA 0.214 4.954 4.740 0.000 0.000 0.257 81 N C -1.145 174.565 175.510 0.333 0.000 1.002 81 N CA -1.861 51.358 53.050 0.283 0.000 0.942 81 N CB 1.574 40.155 38.487 0.156 0.000 1.112 81 N HN -0.246 nan 8.380 nan 0.000 0.499 82 P HA -0.102 nan 4.420 nan 0.000 0.215 82 P C 0.830 178.273 177.300 0.238 0.000 1.153 82 P CA 1.367 64.704 63.100 0.395 0.000 0.853 82 P CB 0.268 32.174 31.700 0.344 0.000 0.788 83 A N -0.747 122.174 122.820 0.168 0.000 1.898 83 A HA -0.135 4.185 4.320 0.000 0.000 0.216 83 A C 2.340 179.970 177.584 0.076 0.000 1.181 83 A CA 1.706 53.805 52.037 0.104 0.000 0.620 83 A CB -1.626 17.417 19.000 0.071 0.000 0.819 83 A HN 0.039 nan 8.150 nan 0.000 0.442 84 V N -1.230 118.736 119.914 0.088 0.000 2.358 84 V HA -0.209 3.911 4.120 0.000 0.000 0.246 84 V C 2.236 178.403 176.094 0.121 0.000 1.047 84 V CA 1.922 64.260 62.300 0.063 0.000 1.035 84 V CB -0.955 30.907 31.823 0.065 0.000 0.658 84 V HN 0.617 nan 8.190 nan 0.000 0.452 85 F N 0.565 120.486 119.950 -0.049 0.000 2.091 85 F HA -0.240 4.287 4.527 0.000 0.000 0.299 85 F C 2.026 177.812 175.800 -0.023 0.000 1.103 85 F CA 1.904 59.818 58.000 -0.143 0.000 1.228 85 F CB -0.205 38.320 39.000 -0.792 0.000 0.984 85 F HN 0.036 nan 8.300 nan 0.000 0.477 86 L N -0.398 120.831 121.223 0.011 0.000 2.109 86 L HA -0.129 4.212 4.340 0.000 0.000 0.207 86 L C 2.685 179.458 176.870 -0.162 0.000 1.086 86 L CA 1.257 56.046 54.840 -0.085 0.000 0.760 86 L CB -0.721 41.358 42.059 0.034 0.000 0.910 86 L HN 0.089 nan 8.230 nan 0.000 0.437 87 R N 0.442 120.869 120.500 -0.121 0.000 2.073 87 R HA -0.172 4.168 4.340 0.000 0.000 0.234 87 R C 0.758 176.910 176.300 -0.246 0.000 1.134 87 R CA 1.935 57.940 56.100 -0.159 0.000 0.952 87 R CB 0.023 30.243 30.300 -0.133 0.000 0.850 87 R HN 0.274 nan 8.270 nan 0.000 0.433 88 D N 0.220 120.394 120.400 -0.376 0.000 2.368 88 D HA -0.003 4.637 4.640 0.000 0.000 0.218 88 D C 1.248 176.986 176.300 -0.937 0.000 1.112 88 D CA -0.121 53.483 54.000 -0.659 0.000 0.834 88 D CB 0.433 40.647 40.800 -0.978 0.000 0.953 88 D HN 0.105 nan 8.370 nan 0.000 0.505 89 L N 0.168 121.058 121.223 -0.555 0.000 2.021 89 L HA -0.211 4.129 4.340 0.000 0.000 0.215 89 L C 1.496 178.250 176.870 -0.194 0.000 1.074 89 L CA 1.783 56.396 54.840 -0.379 0.000 0.760 89 L CB -0.489 41.382 42.059 -0.313 0.000 0.889 89 L HN -0.013 nan 8.230 nan 0.000 0.433 90 F N -1.627 117.971 119.950 -0.585 0.000 2.661 90 F HA -0.001 4.526 4.527 0.000 0.000 0.298 90 F C 1.939 177.108 175.800 -1.052 0.000 1.137 90 F CA 0.334 57.759 58.000 -0.959 0.000 1.454 90 F CB -0.938 37.081 39.000 -1.636 0.000 1.103 90 F HN 0.078 nan 8.300 nan 0.000 0.577 91 F N -2.037 117.574 119.950 -0.564 0.000 2.656 91 F HA 0.107 4.634 4.527 0.000 0.000 0.291 91 F C 0.838 176.402 175.800 -0.394 0.000 1.122 91 F CA -0.356 57.424 58.000 -0.367 0.000 1.427 91 F CB -0.460 38.317 39.000 -0.373 0.000 1.125 91 F HN -0.353 nan 8.300 nan 0.000 0.583 92 F N 0.604 120.339 119.950 -0.357 0.000 2.496 92 F HA 0.325 4.852 4.527 0.000 0.000 0.344 92 F C 0.708 176.225 175.800 -0.471 0.000 1.155 92 F CA -0.472 57.114 58.000 -0.691 0.000 1.302 92 F CB 0.371 38.328 39.000 -1.737 0.000 1.159 92 F HN -0.338 nan 8.300 nan 0.000 0.595 93 S N 2.320 118.141 115.700 0.202 0.000 2.562 93 S HA 0.507 4.977 4.470 0.000 0.000 0.274 93 S C -1.800 173.242 174.600 0.738 0.000 1.160 93 S CA -0.732 57.762 58.200 0.489 0.000 0.933 93 S CB 0.825 64.229 63.200 0.340 0.000 1.100 93 S HN 0.545 nan 8.310 nan 0.000 0.468 94 L N 4.920 126.583 121.223 0.734 0.000 2.261 94 L HA 0.609 4.949 4.340 0.000 0.000 0.289 94 L C -0.351 176.748 176.870 0.381 0.000 1.059 94 L CA 0.336 55.421 54.840 0.408 0.000 0.816 94 L CB 0.645 42.916 42.059 0.353 0.000 1.191 94 L HN 0.627 nan 8.230 nan 0.000 0.431 95 E N 6.777 127.074 120.200 0.161 0.000 2.214 95 E HA 0.492 4.842 4.350 0.000 0.000 0.274 95 E C -2.492 173.933 176.600 -0.292 0.000 0.977 95 E CA -1.921 54.473 56.400 -0.009 0.000 0.827 95 E CB 1.172 30.904 29.700 0.053 0.000 1.130 95 E HN 0.430 nan 8.360 nan 0.000 0.394 96 P HA 0.200 nan 4.420 nan 0.000 0.273 96 P C -2.529 174.553 177.300 -0.363 0.000 1.250 96 P CA -1.418 61.023 63.100 -1.098 0.000 0.793 96 P CB -0.604 30.224 31.700 -1.453 0.000 1.011 97 P HA 0.013 nan 4.420 nan 0.000 0.267 97 P C -0.108 177.247 177.300 0.091 0.000 1.201 97 P CA 0.454 63.562 63.100 0.013 0.000 0.775 97 P CB -0.005 31.768 31.700 0.121 0.000 0.854 98 A N 4.965 127.917 122.820 0.221 0.000 2.448 98 A HA 0.176 4.496 4.320 0.000 0.000 0.239 98 A C -1.218 176.452 177.584 0.142 0.000 1.080 98 A CA -0.593 51.547 52.037 0.170 0.000 0.779 98 A CB -1.149 17.958 19.000 0.178 0.000 1.026 98 A HN 0.442 nan 8.150 nan 0.000 0.499 99 P HA -0.148 nan 4.420 nan 0.000 0.218 99 P C 0.691 177.971 177.300 -0.034 0.000 1.146 99 P CA 1.554 64.656 63.100 0.003 0.000 0.813 99 P CB 0.092 31.779 31.700 -0.022 0.000 0.778 100 E N -1.765 118.379 120.200 -0.093 0.000 2.204 100 E HA -0.172 4.178 4.350 0.000 0.000 0.195 100 E C 1.302 177.740 176.600 -0.271 0.000 0.990 100 E CA 1.027 57.294 56.400 -0.222 0.000 0.821 100 E CB -0.912 28.575 29.700 -0.354 0.000 0.750 100 E HN 0.476 nan 8.360 nan 0.000 0.477 101 Y N 0.071 120.370 120.300 -0.002 0.000 2.546 101 Y HA 0.111 4.661 4.550 0.000 0.000 0.287 101 Y C 1.803 177.686 175.900 -0.028 0.000 1.158 101 Y CA 0.162 58.268 58.100 0.011 0.000 1.307 101 Y CB -0.129 38.368 38.460 0.062 0.000 1.036 101 Y HN 0.110 nan 8.280 nan 0.000 0.532 102 G N 1.056 109.873 108.800 0.029 0.000 2.634 102 G HA2 -0.368 3.592 3.960 0.000 0.000 0.309 102 G HA3 -0.368 3.592 3.960 0.000 0.000 0.309 102 G C 0.597 175.369 174.900 -0.214 0.000 1.265 102 G CA 0.716 45.755 45.100 -0.102 0.000 0.998 102 G HN 0.285 nan 8.290 nan 0.000 0.551 103 L N 1.994 123.002 121.223 -0.358 0.000 2.653 103 L HA 0.320 4.660 4.340 0.000 0.000 0.231 103 L C 1.823 178.542 176.870 -0.251 0.000 1.153 103 L CA 0.529 54.972 54.840 -0.661 0.000 0.933 103 L CB -0.124 41.485 42.059 -0.751 0.000 1.175 103 L HN 0.663 nan 8.230 nan 0.000 0.473 104 S N -0.797 114.850 115.700 -0.088 0.000 2.593 104 S HA 0.160 4.630 4.470 0.000 0.000 0.269 104 S C 0.272 174.837 174.600 -0.059 0.000 1.334 104 S CA -0.237 57.908 58.200 -0.092 0.000 1.015 104 S CB 0.378 63.613 63.200 0.059 0.000 0.912 104 S HN 0.202 nan 8.310 nan 0.000 0.541 105 F N 0.262 120.326 119.950 0.189 0.000 2.660 105 F HA 0.394 4.921 4.527 0.000 0.000 0.297 105 F C 1.841 177.655 175.800 0.023 0.000 1.132 105 F CA -0.287 57.766 58.000 0.090 0.000 1.372 105 F CB -0.191 38.831 39.000 0.036 0.000 1.003 105 F HN 0.763 nan 8.300 nan 0.000 0.524 106 A N 0.382 123.296 122.820 0.157 0.000 2.251 106 A HA 0.512 4.833 4.320 0.000 0.000 0.209 106 A C 1.347 178.892 177.584 -0.064 0.000 1.187 106 A CA 0.146 52.245 52.037 0.104 0.000 0.823 106 A CB -0.539 18.567 19.000 0.177 0.000 0.846 106 A HN 0.195 nan 8.150 nan 0.000 0.486 107 A N 1.253 123.884 122.820 -0.316 0.000 2.440 107 A HA 0.533 4.853 4.320 0.000 0.000 0.251 107 A C -2.337 175.049 177.584 -0.330 0.000 1.089 107 A CA -1.082 50.472 52.037 -0.805 0.000 0.779 107 A CB -0.307 18.207 19.000 -0.810 0.000 1.022 107 A HN 0.246 nan 8.150 nan 0.000 0.492 108 P HA 0.087 nan 4.420 nan 0.000 0.269 108 P C 1.037 178.288 177.300 -0.082 0.000 1.215 108 P CA -0.354 62.696 63.100 -0.084 0.000 0.780 108 P CB 0.440 32.135 31.700 -0.009 0.000 0.898 109 L N 1.375 122.572 121.223 -0.043 0.000 2.043 109 L HA -0.237 4.104 4.340 0.000 0.000 0.212 109 L C 1.879 178.692 176.870 -0.095 0.000 1.075 109 L CA 1.919 56.727 54.840 -0.052 0.000 0.752 109 L CB -0.530 41.520 42.059 -0.015 0.000 0.891 109 L HN 0.473 nan 8.230 nan 0.000 0.432 110 K N -0.310 120.073 120.400 -0.027 0.000 2.459 110 K HA -0.027 4.294 4.320 0.000 0.000 0.193 110 K C 0.433 177.018 176.600 -0.025 0.000 1.030 110 K CA 0.482 56.775 56.287 0.010 0.000 1.026 110 K CB 0.201 32.844 32.500 0.238 0.000 0.809 110 K HN 0.361 nan 8.250 nan 0.000 0.504 111 E N -0.413 119.762 120.200 -0.043 0.000 2.989 111 E HA 0.151 4.502 4.350 0.000 0.000 0.207 111 E C 0.345 176.890 176.600 -0.091 0.000 0.989 111 E CA -0.214 56.176 56.400 -0.016 0.000 1.186 111 E CB 1.258 30.989 29.700 0.053 0.000 1.141 111 E HN 0.359 nan 8.360 nan 0.000 0.454 112 G N -0.026 108.702 108.800 -0.120 0.000 2.545 112 G HA2 -0.240 3.721 3.960 0.000 0.000 0.195 112 G HA3 -0.240 3.721 3.960 0.000 0.000 0.195 112 G C 1.139 176.040 174.900 0.002 0.000 1.009 112 G CA -0.196 44.864 45.100 -0.066 0.000 0.703 112 G HN 0.425 nan 8.290 nan 0.000 0.479 113 G N 0.800 109.559 108.800 -0.069 0.000 2.440 113 G HA2 0.037 3.997 3.960 0.000 0.000 0.218 113 G HA3 0.037 3.997 3.960 0.000 0.000 0.218 113 G C 1.712 176.599 174.900 -0.022 0.000 1.154 113 G CA 1.644 46.721 45.100 -0.039 0.000 0.767 113 G HN 0.664 nan 8.290 nan 0.000 0.552 114 L N -0.755 120.430 121.223 -0.063 0.000 2.141 114 L HA 0.157 4.497 4.340 0.000 0.000 0.209 114 L C 2.302 179.179 176.870 0.012 0.000 1.094 114 L CA 0.962 55.766 54.840 -0.060 0.000 0.763 114 L CB -0.690 41.269 42.059 -0.167 0.000 0.908 114 L HN 0.523 nan 8.230 nan 0.000 0.437 115 W N -0.395 120.832 121.300 -0.122 0.000 2.381 115 W HA -0.198 4.462 4.660 0.000 0.000 0.301 115 W C 2.191 178.740 176.519 0.051 0.000 1.205 115 W CA 1.500 58.862 57.345 0.028 0.000 1.285 115 W CB -0.114 29.346 29.460 -0.000 0.000 1.133 115 W HN 0.066 nan 8.180 nan 0.000 0.521 116 L N 0.263 121.617 121.223 0.218 0.000 2.046 116 L HA -0.253 4.087 4.340 0.000 0.000 0.208 116 L C 2.397 179.152 176.870 -0.192 0.000 1.077 116 L CA 1.509 56.318 54.840 -0.052 0.000 0.747 116 L CB -0.760 41.305 42.059 0.010 0.000 0.896 116 L HN 0.051 nan 8.230 nan 0.000 0.432 117 I N -0.477 120.009 120.570 -0.140 0.000 2.202 117 I HA -0.270 3.900 4.170 0.000 0.000 0.242 117 I C 2.796 178.857 176.117 -0.094 0.000 1.091 117 I CA 1.147 62.336 61.300 -0.185 0.000 1.368 117 I CB -0.491 37.446 38.000 -0.105 0.000 1.058 117 I HN 0.187 nan 8.210 nan 0.000 0.410 118 A N 0.160 122.978 122.820 -0.004 0.000 1.908 118 A HA -0.223 4.097 4.320 0.000 0.000 0.218 118 A C 2.483 180.121 177.584 0.090 0.000 1.181 118 A CA 2.384 54.472 52.037 0.085 0.000 0.627 118 A CB -0.794 18.094 19.000 -0.186 0.000 0.818 118 A HN 0.403 nan 8.150 nan 0.000 0.445 119 S N -1.241 114.347 115.700 -0.186 0.000 2.368 119 S HA -0.110 4.360 4.470 0.000 0.000 0.224 119 S C 1.640 176.206 174.600 -0.056 0.000 1.029 119 S CA 1.319 59.388 58.200 -0.220 0.000 0.988 119 S CB -0.525 62.240 63.200 -0.725 0.000 0.838 119 S HN 0.643 nan 8.310 nan 0.000 0.462 120 F N 1.957 121.761 119.950 -0.244 0.000 2.095 120 F HA -0.166 4.361 4.527 0.000 0.000 0.298 120 F C 1.685 177.453 175.800 -0.054 0.000 1.104 120 F CA 1.380 59.243 58.000 -0.227 0.000 1.232 120 F CB -0.485 38.257 39.000 -0.431 0.000 0.987 120 F HN 0.110 nan 8.300 nan 0.000 0.475 121 F N 0.035 119.990 119.950 0.008 0.000 2.134 121 F HA -0.232 4.295 4.527 0.000 0.000 0.299 121 F C 2.687 178.415 175.800 -0.120 0.000 1.097 121 F CA 1.728 59.691 58.000 -0.062 0.000 1.264 121 F CB -1.101 37.941 39.000 0.071 0.000 1.001 121 F HN 0.056 nan 8.300 nan 0.000 0.479 122 M N -1.309 118.319 119.600 0.046 0.000 2.117 122 M HA -0.248 4.233 4.480 0.000 0.000 0.262 122 M C 2.315 178.629 176.300 0.023 0.000 1.065 122 M CA 1.712 56.859 55.300 -0.255 0.000 1.114 122 M CB -0.437 31.858 32.600 -0.509 0.000 1.361 122 M HN 0.205 nan 8.290 nan 0.000 0.408 123 F N 0.118 120.080 119.950 0.020 0.000 2.095 123 F HA -0.223 4.304 4.527 0.000 0.000 0.298 123 F C 1.861 177.740 175.800 0.132 0.000 1.104 123 F CA 1.703 59.816 58.000 0.188 0.000 1.232 123 F CB -0.276 38.710 39.000 -0.024 0.000 0.987 123 F HN -0.116 nan 8.300 nan 0.000 0.475 124 V N 0.208 120.180 119.914 0.097 0.000 2.358 124 V HA -0.261 3.859 4.120 0.000 0.000 0.246 124 V C 2.654 178.786 176.094 0.064 0.000 1.047 124 V CA 1.600 63.928 62.300 0.047 0.000 1.035 124 V CB -1.401 30.359 31.823 -0.104 0.000 0.658 124 V HN 0.473 nan 8.190 nan 0.000 0.452 125 A N -0.096 122.726 122.820 0.003 0.000 1.877 125 A HA -0.157 4.163 4.320 0.000 0.000 0.216 125 A C 2.391 179.944 177.584 -0.052 0.000 1.186 125 A CA 2.184 54.207 52.037 -0.024 0.000 0.620 125 A CB -0.709 18.205 19.000 -0.143 0.000 0.822 125 A HN 0.321 nan 8.150 nan 0.000 0.443 126 V N -2.356 117.403 119.914 -0.258 0.000 2.307 126 V HA -0.267 3.853 4.120 0.000 0.000 0.245 126 V C 2.270 178.205 176.094 -0.265 0.000 1.045 126 V CA 1.771 63.800 62.300 -0.452 0.000 1.024 126 V CB -1.017 30.059 31.823 -1.246 0.000 0.651 126 V HN 0.784 nan 8.190 nan 0.000 0.449 127 W N 0.756 121.933 121.300 -0.204 0.000 2.388 127 W HA -0.163 4.497 4.660 0.000 0.000 0.294 127 W C 2.943 179.516 176.519 0.089 0.000 1.212 127 W CA 1.432 58.707 57.345 -0.116 0.000 1.271 127 W CB -0.377 28.897 29.460 -0.310 0.000 1.126 127 W HN 0.357 nan 8.180 nan 0.000 0.535 128 S N -0.970 114.905 115.700 0.290 0.000 2.402 128 S HA -0.236 4.234 4.470 0.000 0.000 0.229 128 S C 1.686 176.423 174.600 0.228 0.000 1.021 128 S CA 0.825 59.167 58.200 0.236 0.000 0.974 128 S CB -1.182 62.131 63.200 0.188 0.000 0.800 128 S HN 0.474 nan 8.310 nan 0.000 0.484 129 W N 0.895 122.250 121.300 0.090 0.000 2.388 129 W HA -0.095 4.565 4.660 0.000 0.000 0.294 129 W C 1.948 178.601 176.519 0.224 0.000 1.212 129 W CA 1.035 58.440 57.345 0.100 0.000 1.271 129 W CB -0.488 29.006 29.460 0.057 0.000 1.126 129 W HN 0.511 nan 8.180 nan 0.000 0.535 130 W N 1.506 122.969 121.300 0.272 0.000 2.335 130 W HA -0.127 4.533 4.660 0.000 0.000 0.311 130 W C 2.499 179.070 176.519 0.086 0.000 1.213 130 W CA 3.368 60.814 57.345 0.168 0.000 1.274 130 W CB -0.928 28.433 29.460 -0.165 0.000 1.148 130 W HN -0.109 nan 8.180 nan 0.000 0.498 131 G N 0.470 109.335 108.800 0.107 0.000 2.469 131 G HA2 -0.382 3.579 3.960 0.000 0.000 0.219 131 G HA3 -0.382 3.579 3.960 0.000 0.000 0.219 131 G C 1.625 176.344 174.900 -0.301 0.000 1.150 131 G CA 1.279 46.291 45.100 -0.147 0.000 0.763 131 G HN 0.363 nan 8.290 nan 0.000 0.561 132 R N 0.384 120.697 120.500 -0.312 0.000 2.081 132 R HA -0.122 4.218 4.340 0.000 0.000 0.235 132 R C 2.903 178.884 176.300 -0.532 0.000 1.131 132 R CA 2.201 58.024 56.100 -0.461 0.000 0.960 132 R CB -0.694 29.177 30.300 -0.715 0.000 0.856 132 R HN 0.488 nan 8.270 nan 0.000 0.436 133 T N -1.950 112.272 114.554 -0.554 0.000 2.833 133 T HA -0.219 4.131 4.350 0.000 0.000 0.269 133 T C 1.814 176.206 174.700 -0.513 0.000 1.054 133 T CA 1.269 63.079 62.100 -0.483 0.000 1.135 133 T CB -0.588 68.085 68.868 -0.324 0.000 0.869 133 T HN 0.420 nan 8.240 nan 0.000 0.466 134 Y N 1.806 121.649 120.300 -0.761 0.000 2.133 134 Y HA 0.183 4.733 4.550 0.000 0.000 0.287 134 Y C 2.169 177.775 175.900 -0.490 0.000 1.134 134 Y CA 1.057 58.722 58.100 -0.725 0.000 1.133 134 Y CB -0.348 37.548 38.460 -0.939 0.000 0.987 134 Y HN 0.141 nan 8.280 nan 0.000 0.502 135 L N -0.387 120.717 121.223 -0.199 0.000 2.141 135 L HA -0.173 4.167 4.340 0.000 0.000 0.209 135 L C 2.452 179.130 176.870 -0.319 0.000 1.094 135 L CA 0.794 55.524 54.840 -0.183 0.000 0.763 135 L CB -0.428 41.537 42.059 -0.156 0.000 0.908 135 L HN 0.089 nan 8.230 nan 0.000 0.437 136 R N 0.239 120.502 120.500 -0.395 0.000 2.115 136 R HA -0.029 4.311 4.340 0.000 0.000 0.230 136 R C 2.277 178.362 176.300 -0.360 0.000 1.111 136 R CA 1.328 57.173 56.100 -0.424 0.000 0.976 136 R CB -0.877 29.166 30.300 -0.430 0.000 0.870 136 R HN 0.339 nan 8.270 nan 0.000 0.445 137 A N 1.079 123.668 122.820 -0.385 0.000 1.898 137 A HA -0.193 4.127 4.320 0.000 0.000 0.216 137 A C 2.219 179.596 177.584 -0.344 0.000 1.181 137 A CA 1.357 53.175 52.037 -0.364 0.000 0.620 137 A CB -0.476 18.258 19.000 -0.444 0.000 0.819 137 A HN 0.373 nan 8.150 nan 0.000 0.442 138 Q N -0.389 119.172 119.800 -0.399 0.000 2.061 138 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 138 Q C 2.118 177.996 176.000 -0.203 0.000 0.984 138 Q CA 1.815 57.440 55.803 -0.297 0.000 0.846 138 Q CB -0.365 28.234 28.738 -0.232 0.000 0.902 138 Q HN 0.589 nan 8.270 nan 0.000 0.421 139 A N 0.298 122.988 122.820 -0.217 0.000 2.019 139 A HA -0.090 4.231 4.320 0.000 0.000 0.219 139 A C 1.796 179.285 177.584 -0.159 0.000 1.164 139 A CA 0.953 52.881 52.037 -0.182 0.000 0.644 139 A CB -0.310 18.548 19.000 -0.237 0.000 0.805 139 A HN 0.458 nan 8.150 nan 0.000 0.449 140 L N -1.448 119.669 121.223 -0.178 0.000 2.592 140 L HA 0.235 4.575 4.340 0.000 0.000 0.227 140 L C 1.596 178.392 176.870 -0.123 0.000 1.127 140 L CA 0.475 55.229 54.840 -0.143 0.000 0.884 140 L CB 0.016 41.983 42.059 -0.154 0.000 1.065 140 L HN 0.537 nan 8.230 nan 0.000 0.457 141 G N 0.276 108.997 108.800 -0.131 0.000 2.143 141 G HA2 -0.311 3.650 3.960 0.000 0.000 0.248 141 G HA3 -0.311 3.650 3.960 0.000 0.000 0.248 141 G C 0.261 175.095 174.900 -0.111 0.000 0.991 141 G CA 0.181 45.217 45.100 -0.107 0.000 0.689 141 G HN 0.265 nan 8.290 nan 0.000 0.522 142 M N 0.445 119.958 119.600 -0.145 0.000 2.283 142 M HA 0.529 5.009 4.480 0.000 0.000 0.314 142 M C 1.464 177.680 176.300 -0.139 0.000 1.153 142 M CA 0.137 55.359 55.300 -0.130 0.000 1.084 142 M CB 0.759 33.271 32.600 -0.148 0.000 1.468 142 M HN 0.217 nan 8.290 nan 0.000 0.474 143 G N 0.695 109.467 108.800 -0.047 0.000 2.716 143 G HA2 0.120 4.080 3.960 0.000 0.000 0.251 143 G HA3 0.120 4.080 3.960 0.000 0.000 0.251 143 G C 0.187 174.984 174.900 -0.172 0.000 1.224 143 G CA -0.494 44.599 45.100 -0.012 0.000 0.891 143 G HN 0.626 nan 8.290 nan 0.000 0.561 144 K N -0.404 119.776 120.400 -0.368 0.000 2.576 144 K HA 0.142 4.462 4.320 0.000 0.000 0.209 144 K C 1.267 177.449 176.600 -0.696 0.000 1.049 144 K CA -0.184 55.680 56.287 -0.706 0.000 1.140 144 K CB 0.057 31.946 32.500 -1.018 0.000 0.871 144 K HN 0.590 nan 8.250 nan 0.000 0.479 145 H N 0.110 119.022 119.070 -0.265 0.000 2.387 145 H HA -0.076 4.480 4.556 0.000 0.000 0.299 145 H C 1.654 176.906 175.328 -0.127 0.000 1.099 145 H CA 2.025 58.014 56.048 -0.098 0.000 1.315 145 H CB -0.065 29.663 29.762 -0.058 0.000 1.380 145 H HN 0.081 nan 8.280 nan 0.000 0.513 146 T N 0.175 114.682 114.554 -0.079 0.000 2.737 146 T HA -0.143 4.207 4.350 0.000 0.000 0.265 146 T C 2.411 177.086 174.700 -0.042 0.000 1.038 146 T CA 1.233 63.287 62.100 -0.076 0.000 1.144 146 T CB -0.530 68.254 68.868 -0.140 0.000 0.866 146 T HN 0.516 nan 8.240 nan 0.000 0.434 147 A N 0.635 123.308 122.820 -0.246 0.000 1.908 147 A HA -0.107 4.213 4.320 0.000 0.000 0.218 147 A C 2.150 179.900 177.584 0.277 0.000 1.181 147 A CA 1.386 53.310 52.037 -0.188 0.000 0.627 147 A CB -1.203 17.375 19.000 -0.704 0.000 0.818 147 A HN 0.751 nan 8.150 nan 0.000 0.445 148 W N -0.503 120.927 121.300 0.215 0.000 2.381 148 W HA -0.020 4.640 4.660 0.000 0.000 0.301 148 W C 2.765 179.338 176.519 0.091 0.000 1.205 148 W CA 0.517 57.953 57.345 0.153 0.000 1.285 148 W CB -0.125 29.335 29.460 -0.001 0.000 1.133 148 W HN 0.396 nan 8.180 nan 0.000 0.521 149 A N 0.211 123.186 122.820 0.259 0.000 1.902 149 A HA -0.229 4.091 4.320 0.000 0.000 0.217 149 A C 1.763 179.500 177.584 0.255 0.000 1.181 149 A CA 1.337 53.460 52.037 0.144 0.000 0.623 149 A CB -1.159 17.878 19.000 0.063 0.000 0.818 149 A HN 0.339 nan 8.150 nan 0.000 0.443 150 F N 0.276 120.308 119.950 0.137 0.000 2.171 150 F HA -0.107 4.420 4.527 0.000 0.000 0.300 150 F C 1.744 177.638 175.800 0.157 0.000 1.090 150 F CA 1.169 59.257 58.000 0.146 0.000 1.293 150 F CB -0.658 38.455 39.000 0.187 0.000 1.013 150 F HN 0.191 nan 8.300 nan 0.000 0.486 151 L N -0.284 121.073 121.223 0.224 0.000 2.191 151 L HA -0.161 4.180 4.340 0.000 0.000 0.212 151 L C 2.664 179.558 176.870 0.039 0.000 1.103 151 L CA 1.973 56.795 54.840 -0.031 0.000 0.769 151 L CB -1.172 40.969 42.059 0.137 0.000 0.908 151 L HN 0.249 nan 8.230 nan 0.000 0.438 152 S N -1.194 114.575 115.700 0.116 0.000 2.368 152 S HA -0.119 4.351 4.470 0.000 0.000 0.224 152 S C 2.166 176.890 174.600 0.207 0.000 1.029 152 S CA 1.040 59.327 58.200 0.146 0.000 0.988 152 S CB -0.275 62.977 63.200 0.088 0.000 0.838 152 S HN 0.595 nan 8.310 nan 0.000 0.462 153 A N 1.533 124.452 122.820 0.164 0.000 1.877 153 A HA 0.015 4.335 4.320 0.000 0.000 0.216 153 A C 2.104 179.743 177.584 0.092 0.000 1.186 153 A CA 1.508 53.636 52.037 0.151 0.000 0.620 153 A CB -0.858 18.264 19.000 0.204 0.000 0.822 153 A HN 0.612 nan 8.150 nan 0.000 0.443 154 I N -1.224 119.299 120.570 -0.078 0.000 2.264 154 I HA -0.312 3.858 4.170 0.000 0.000 0.248 154 I C 2.495 178.710 176.117 0.162 0.000 1.111 154 I CA 1.584 62.792 61.300 -0.152 0.000 1.382 154 I CB -0.329 37.237 38.000 -0.724 0.000 1.060 154 I HN 0.774 nan 8.210 nan 0.000 0.418 155 W N 1.669 122.958 121.300 -0.018 0.000 2.333 155 W HA -0.309 4.351 4.660 0.000 0.000 0.316 155 W C 2.333 178.899 176.519 0.079 0.000 1.215 155 W CA 1.358 58.727 57.345 0.040 0.000 1.278 155 W CB -0.319 29.154 29.460 0.022 0.000 1.154 155 W HN 0.162 nan 8.180 nan 0.000 0.486 156 L N 1.033 122.234 121.223 -0.036 0.000 2.046 156 L HA -0.143 4.197 4.340 0.000 0.000 0.208 156 L C 2.323 179.156 176.870 -0.062 0.000 1.077 156 L CA 2.754 57.487 54.840 -0.177 0.000 0.747 156 L CB -1.675 40.380 42.059 -0.007 0.000 0.896 156 L HN 0.241 nan 8.230 nan 0.000 0.432 157 W N -0.133 121.087 121.300 -0.133 0.000 2.335 157 W HA -0.258 4.402 4.660 0.000 0.000 0.311 157 W C 2.226 178.704 176.519 -0.067 0.000 1.213 157 W CA 2.032 59.311 57.345 -0.110 0.000 1.274 157 W CB -0.230 29.142 29.460 -0.147 0.000 1.148 157 W HN 0.102 nan 8.180 nan 0.000 0.498 158 M N 0.083 119.575 119.600 -0.179 0.000 2.117 158 M HA -0.171 4.309 4.480 0.000 0.000 0.262 158 M C 1.949 178.159 176.300 -0.151 0.000 1.065 158 M CA 1.401 56.535 55.300 -0.277 0.000 1.114 158 M CB -1.593 31.035 32.600 0.048 0.000 1.361 158 M HN -0.012 nan 8.290 nan 0.000 0.408 159 V N 0.840 120.588 119.914 -0.277 0.000 2.287 159 V HA -0.284 3.836 4.120 0.000 0.000 0.248 159 V C 2.525 178.535 176.094 -0.140 0.000 1.053 159 V CA 1.620 63.733 62.300 -0.313 0.000 1.027 159 V CB -0.692 30.762 31.823 -0.615 0.000 0.646 159 V HN 0.400 nan 8.190 nan 0.000 0.447 160 L N 0.082 121.217 121.223 -0.146 0.000 2.017 160 L HA -0.083 4.257 4.340 0.000 0.000 0.208 160 L C 2.366 179.215 176.870 -0.036 0.000 1.073 160 L CA 1.908 56.698 54.840 -0.084 0.000 0.745 160 L CB -0.792 41.184 42.059 -0.139 0.000 0.894 160 L HN 0.487 nan 8.230 nan 0.000 0.432 161 G N -2.751 106.001 108.800 -0.081 0.000 2.921 161 G HA2 -0.049 3.912 3.960 0.000 0.000 0.213 161 G HA3 -0.049 3.912 3.960 0.000 0.000 0.213 161 G C 0.921 176.007 174.900 0.310 0.000 1.143 161 G CA 0.011 45.152 45.100 0.067 0.000 0.764 161 G HN 0.268 nan 8.290 nan 0.000 0.542 162 F N -0.352 119.631 119.950 0.055 0.000 1.964 162 F HA 0.372 4.899 4.527 0.000 0.000 0.248 162 F C 2.048 177.931 175.800 0.137 0.000 1.051 162 F CA -0.040 58.077 58.000 0.194 0.000 1.221 162 F CB -0.030 39.039 39.000 0.114 0.000 1.497 162 F HN -0.046 nan 8.300 nan 0.000 0.653 163 I N 0.888 121.555 120.570 0.163 0.000 2.163 163 I HA -0.204 3.966 4.170 0.000 0.000 0.240 163 I C 2.560 178.648 176.117 -0.047 0.000 1.081 163 I CA 1.511 62.829 61.300 0.030 0.000 1.353 163 I CB -0.524 37.531 38.000 0.092 0.000 1.054 163 I HN 0.147 nan 8.210 nan 0.000 0.407 164 R N 1.034 121.526 120.500 -0.013 0.000 2.070 164 R HA -0.143 4.197 4.340 0.000 0.000 0.233 164 R C -0.364 175.931 176.300 -0.009 0.000 1.137 164 R CA 1.849 57.956 56.100 0.012 0.000 0.945 164 R CB -1.178 29.169 30.300 0.078 0.000 0.845 164 R HN 0.186 nan 8.270 nan 0.000 0.430 165 P HA -0.164 nan 4.420 nan 0.000 0.216 165 P C 1.134 178.256 177.300 -0.297 0.000 1.153 165 P CA 1.437 64.498 63.100 -0.066 0.000 0.858 165 P CB -0.044 31.710 31.700 0.090 0.000 0.789 166 I N -1.489 118.846 120.570 -0.391 0.000 2.179 166 I HA -0.235 3.935 4.170 0.000 0.000 0.242 166 I C 2.254 178.197 176.117 -0.290 0.000 1.088 166 I CA 1.396 62.408 61.300 -0.480 0.000 1.357 166 I CB -0.608 37.078 38.000 -0.522 0.000 1.051 166 I HN -0.099 nan 8.210 nan 0.000 0.409 167 L N -0.447 120.666 121.223 -0.183 0.000 2.093 167 L HA -0.196 4.144 4.340 0.000 0.000 0.208 167 L C 2.475 179.281 176.870 -0.106 0.000 1.085 167 L CA 0.936 55.708 54.840 -0.114 0.000 0.755 167 L CB -0.416 41.608 42.059 -0.058 0.000 0.904 167 L HN 0.306 nan 8.230 nan 0.000 0.435 168 M N -0.690 118.847 119.600 -0.104 0.000 2.492 168 M HA 0.078 4.558 4.480 0.000 0.000 0.262 168 M C 1.577 177.797 176.300 -0.134 0.000 1.090 168 M CA 1.091 56.339 55.300 -0.087 0.000 1.110 168 M CB -0.935 31.642 32.600 -0.038 0.000 1.407 168 M HN 0.437 nan 8.290 nan 0.000 0.470 169 G N 1.775 110.450 108.800 -0.208 0.000 2.136 169 G HA2 -0.206 3.754 3.960 0.000 0.000 0.242 169 G HA3 -0.206 3.754 3.960 0.000 0.000 0.242 169 G C 0.123 174.847 174.900 -0.293 0.000 0.989 169 G CA 0.494 45.444 45.100 -0.249 0.000 0.682 169 G HN 0.714 nan 8.290 nan 0.000 0.522 170 S N -2.294 113.211 115.700 -0.325 0.000 2.542 170 S HA 0.499 4.969 4.470 0.000 0.000 0.276 170 S C 0.384 174.822 174.600 -0.271 0.000 1.148 170 S CA -0.068 57.942 58.200 -0.317 0.000 0.886 170 S CB 0.408 63.525 63.200 -0.139 0.000 1.109 170 S HN 0.473 nan 8.310 nan 0.000 0.458 171 W N 1.796 123.061 121.300 -0.059 0.000 2.465 171 W HA -0.035 4.625 4.660 0.000 0.000 0.268 171 W C 2.640 179.022 176.519 -0.228 0.000 1.242 171 W CA 0.734 58.016 57.345 -0.105 0.000 1.248 171 W CB -0.128 29.289 29.460 -0.071 0.000 1.118 171 W HN 0.938 nan 8.180 nan 0.000 0.587 172 S N 0.030 115.752 115.700 0.037 0.000 2.469 172 S HA -0.180 4.290 4.470 0.000 0.000 0.238 172 S C 1.430 176.062 174.600 0.053 0.000 0.998 172 S CA 1.139 59.331 58.200 -0.013 0.000 0.957 172 S CB -0.280 62.931 63.200 0.019 0.000 0.764 172 S HN 0.255 nan 8.310 nan 0.000 0.514 173 E N 1.517 121.776 120.200 0.099 0.000 2.427 173 E HA 0.279 4.629 4.350 0.000 0.000 0.196 173 E C 1.100 177.925 176.600 0.376 0.000 1.028 173 E CA 0.537 57.076 56.400 0.231 0.000 0.864 173 E CB -0.213 29.591 29.700 0.173 0.000 0.813 173 E HN 0.740 nan 8.360 nan 0.000 0.514 174 A N 0.863 123.792 122.820 0.180 0.000 2.259 174 A HA 0.329 4.649 4.320 0.000 0.000 0.278 174 A C 0.327 177.799 177.584 -0.186 0.000 1.107 174 A CA -0.472 51.628 52.037 0.105 0.000 0.828 174 A CB 0.623 19.769 19.000 0.243 0.000 1.111 174 A HN -0.042 nan 8.150 nan 0.000 0.498 175 V N 2.437 122.085 119.914 -0.442 0.000 2.498 175 V HA 0.303 4.423 4.120 0.000 0.000 0.279 175 V C -1.884 174.008 176.094 -0.336 0.000 1.048 175 V CA -1.123 60.670 62.300 -0.845 0.000 0.967 175 V CB 0.880 32.190 31.823 -0.855 0.000 0.988 175 V HN 0.833 nan 8.190 nan 0.000 0.473 176 P HA 0.172 nan 4.420 nan 0.000 0.274 176 P C -1.251 176.021 177.300 -0.046 0.000 1.231 176 P CA -0.314 62.763 63.100 -0.038 0.000 0.790 176 P CB 0.453 32.215 31.700 0.103 0.000 0.951 177 Y N 0.911 121.440 120.300 0.382 0.000 2.600 177 Y HA 0.554 5.104 4.550 0.000 0.000 0.351 177 Y C 1.409 177.517 175.900 0.346 0.000 1.042 177 Y CA 0.238 58.501 58.100 0.271 0.000 1.333 177 Y CB 0.343 38.888 38.460 0.142 0.000 1.172 177 Y HN 0.537 nan 8.280 nan 0.000 0.517 178 G N 1.812 110.849 108.800 0.395 0.000 2.616 178 G HA2 0.301 4.261 3.960 0.000 0.000 0.294 178 G HA3 0.301 4.261 3.960 0.000 0.000 0.294 178 G C -0.195 174.848 174.900 0.238 0.000 1.489 178 G CA -0.762 44.575 45.100 0.396 0.000 0.836 178 G HN 0.259 nan 8.290 nan 0.000 0.527 179 I N 0.632 121.247 120.570 0.075 0.000 2.094 179 I HA 0.033 4.203 4.170 0.000 0.000 0.234 179 I C 2.594 178.826 176.117 0.191 0.000 1.063 179 I CA 1.222 62.490 61.300 -0.053 0.000 1.328 179 I CB -1.104 36.486 38.000 -0.683 0.000 1.058 179 I HN 0.456 nan 8.210 nan 0.000 0.400 180 F N 1.911 121.814 119.950 -0.079 0.000 2.146 180 F HA -0.152 4.375 4.527 0.000 0.000 0.298 180 F C 3.004 178.824 175.800 0.032 0.000 1.096 180 F CA 1.241 59.192 58.000 -0.082 0.000 1.275 180 F CB -1.748 37.109 39.000 -0.239 0.000 1.008 180 F HN 0.197 nan 8.300 nan 0.000 0.480 181 S N -0.153 115.720 115.700 0.289 0.000 2.399 181 S HA -0.241 4.230 4.470 0.000 0.000 0.231 181 S C 2.082 176.868 174.600 0.311 0.000 1.022 181 S CA 1.403 59.765 58.200 0.270 0.000 0.983 181 S CB -1.224 62.133 63.200 0.262 0.000 0.803 181 S HN 0.653 nan 8.310 nan 0.000 0.480 182 H N 2.278 121.466 119.070 0.196 0.000 2.428 182 H HA 0.131 4.687 4.556 0.000 0.000 0.296 182 H C 1.897 177.378 175.328 0.256 0.000 1.062 182 H CA 1.270 57.435 56.048 0.194 0.000 1.350 182 H CB -0.591 29.238 29.762 0.111 0.000 1.403 182 H HN 0.448 nan 8.280 nan 0.000 0.533 183 L N 0.727 121.872 121.223 -0.131 0.000 2.056 183 L HA -0.129 4.212 4.340 0.000 0.000 0.207 183 L C 2.345 179.237 176.870 0.036 0.000 1.078 183 L CA 1.302 56.065 54.840 -0.128 0.000 0.749 183 L CB -0.413 41.592 42.059 -0.090 0.000 0.901 183 L HN 0.136 nan 8.230 nan 0.000 0.433 184 D N -0.447 120.011 120.400 0.097 0.000 2.123 184 D HA -0.248 4.392 4.640 0.000 0.000 0.196 184 D C 1.741 178.136 176.300 0.158 0.000 0.992 184 D CA 1.218 55.280 54.000 0.104 0.000 0.833 184 D CB -0.323 40.550 40.800 0.121 0.000 0.954 184 D HN 0.415 nan 8.370 nan 0.000 0.455 185 W N 1.666 123.004 121.300 0.063 0.000 2.338 185 W HA -0.230 4.431 4.660 0.000 0.000 0.304 185 W C 2.253 178.841 176.519 0.114 0.000 1.212 185 W CA 2.263 59.668 57.345 0.100 0.000 1.264 185 W CB -0.405 29.127 29.460 0.120 0.000 1.142 185 W HN -0.141 nan 8.180 nan 0.000 0.512 186 T N 0.120 114.884 114.554 0.350 0.000 2.674 186 T HA -0.290 4.060 4.350 0.000 0.000 0.265 186 T C 1.694 176.397 174.700 0.004 0.000 1.039 186 T CA 1.642 63.849 62.100 0.177 0.000 1.150 186 T CB -0.829 68.142 68.868 0.172 0.000 0.864 186 T HN 0.407 nan 8.240 nan 0.000 0.427 187 N N 1.209 119.908 118.700 -0.001 0.000 2.043 187 N HA -0.203 4.537 4.740 0.000 0.000 0.193 187 N C 2.015 177.486 175.510 -0.064 0.000 1.037 187 N CA 1.318 54.344 53.050 -0.040 0.000 0.851 187 N CB -0.270 38.196 38.487 -0.034 0.000 1.027 187 N HN 0.374 nan 8.380 nan 0.000 0.422 188 N N -0.131 118.520 118.700 -0.082 0.000 2.149 188 N HA -0.201 4.539 4.740 0.000 0.000 0.188 188 N C 1.865 177.271 175.510 -0.173 0.000 1.019 188 N CA 0.853 53.827 53.050 -0.127 0.000 0.857 188 N CB -0.288 38.117 38.487 -0.135 0.000 0.997 188 N HN 0.249 nan 8.380 nan 0.000 0.426 189 F N 1.517 121.210 119.950 -0.429 0.000 2.095 189 F HA -0.178 4.349 4.527 0.000 0.000 0.298 189 F C 2.954 178.710 175.800 -0.073 0.000 1.104 189 F CA 1.694 59.465 58.000 -0.382 0.000 1.232 189 F CB -0.753 37.785 39.000 -0.770 0.000 0.987 189 F HN -0.018 nan 8.300 nan 0.000 0.475 190 S N 0.220 115.996 115.700 0.127 0.000 2.356 190 S HA -0.174 4.296 4.470 0.000 0.000 0.223 190 S C 2.173 176.767 174.600 -0.009 0.000 1.032 190 S CA 1.592 59.823 58.200 0.052 0.000 1.005 190 S CB -0.598 62.544 63.200 -0.097 0.000 0.867 190 S HN 0.420 nan 8.310 nan 0.000 0.449 191 L N 0.948 122.132 121.223 -0.064 0.000 2.012 191 L HA -0.089 4.252 4.340 0.000 0.000 0.210 191 L C 2.485 179.286 176.870 -0.115 0.000 1.073 191 L CA 1.187 55.980 54.840 -0.078 0.000 0.748 191 L CB -0.640 41.367 42.059 -0.087 0.000 0.891 191 L HN 0.232 nan 8.230 nan 0.000 0.431 192 V N -1.164 118.626 119.914 -0.205 0.000 2.626 192 V HA -0.224 3.896 4.120 0.000 0.000 0.252 192 V C 1.680 177.470 176.094 -0.507 0.000 1.067 192 V CA 1.312 63.392 62.300 -0.366 0.000 1.081 192 V CB -0.695 30.838 31.823 -0.484 0.000 0.686 192 V HN 0.475 nan 8.190 nan 0.000 0.468 193 H N -0.502 118.451 119.070 -0.195 0.000 2.507 193 H HA 0.325 4.881 4.556 0.000 0.000 0.294 193 H C 1.706 177.085 175.328 0.086 0.000 1.064 193 H CA 0.715 56.702 56.048 -0.101 0.000 1.138 193 H CB 0.272 29.974 29.762 -0.101 0.000 1.515 193 H HN 0.457 nan 8.280 nan 0.000 0.547 194 G N 2.089 110.958 108.800 0.115 0.000 2.147 194 G HA2 -0.317 3.643 3.960 0.000 0.000 0.244 194 G HA3 -0.317 3.643 3.960 0.000 0.000 0.244 194 G C -0.147 174.952 174.900 0.333 0.000 1.005 194 G CA 0.261 45.472 45.100 0.185 0.000 0.713 194 G HN 0.588 nan 8.290 nan 0.000 0.515 195 N N -1.747 117.099 118.700 0.242 0.000 3.596 195 N HA -0.130 4.610 4.740 0.000 0.000 0.265 195 N C 0.900 176.494 175.510 0.139 0.000 1.939 195 N CA 0.754 53.895 53.050 0.152 0.000 2.197 195 N CB -1.170 37.467 38.487 0.251 0.000 0.622 195 N HN 0.430 nan 8.380 nan 0.000 0.510 196 L N 2.797 123.938 121.223 -0.138 0.000 2.353 196 L HA -0.101 4.239 4.340 0.000 0.000 0.220 196 L C 1.690 178.402 176.870 -0.264 0.000 1.133 196 L CA 0.790 55.441 54.840 -0.316 0.000 0.798 196 L CB -0.375 41.281 42.059 -0.671 0.000 0.922 196 L HN 0.461 nan 8.230 nan 0.000 0.445 197 F N -0.742 119.063 119.950 -0.242 0.000 2.287 197 F HA -0.233 4.294 4.527 0.000 0.000 0.301 197 F C 1.932 177.595 175.800 -0.229 0.000 1.069 197 F CA 0.881 58.753 58.000 -0.213 0.000 1.372 197 F CB -0.999 37.810 39.000 -0.317 0.000 1.056 197 F HN 0.114 nan 8.300 nan 0.000 0.523 198 Y N -1.338 119.128 120.300 0.276 0.000 2.490 198 Y HA 0.067 4.617 4.550 0.000 0.000 0.281 198 Y C 1.036 177.046 175.900 0.183 0.000 1.174 198 Y CA -0.419 57.857 58.100 0.294 0.000 1.295 198 Y CB -0.627 38.090 38.460 0.430 0.000 1.062 198 Y HN -0.137 nan 8.280 nan 0.000 0.522 199 N N 2.576 121.218 118.700 -0.097 0.000 2.406 199 N HA 0.063 4.803 4.740 0.000 0.000 0.251 199 N C -1.860 173.444 175.510 -0.344 0.000 1.069 199 N CA -2.218 50.339 53.050 -0.821 0.000 0.947 199 N CB 1.307 38.939 38.487 -1.425 0.000 1.111 199 N HN -0.005 nan 8.380 nan 0.000 0.497 200 P HA -0.084 nan 4.420 nan 0.000 0.221 200 P C 1.054 178.204 177.300 -0.250 0.000 1.150 200 P CA 0.969 63.975 63.100 -0.156 0.000 0.800 200 P CB 0.045 31.679 31.700 -0.110 0.000 0.787 201 F N -0.672 119.186 119.950 -0.154 0.000 2.293 201 F HA -0.102 4.425 4.527 0.000 0.000 0.300 201 F C 2.827 178.610 175.800 -0.027 0.000 1.086 201 F CA 1.055 59.023 58.000 -0.054 0.000 1.375 201 F CB -1.171 37.797 39.000 -0.053 0.000 1.045 201 F HN 0.104 nan 8.300 nan 0.000 0.516 202 H N -0.153 118.897 119.070 -0.033 0.000 2.363 202 H HA -0.053 4.503 4.556 0.000 0.000 0.301 202 H C 2.410 177.727 175.328 -0.018 0.000 1.074 202 H CA 1.424 57.456 56.048 -0.027 0.000 1.354 202 H CB -0.418 29.294 29.762 -0.082 0.000 1.397 202 H HN 0.316 nan 8.280 nan 0.000 0.516 203 G N 1.158 109.961 108.800 0.005 0.000 2.440 203 G HA2 -0.207 3.753 3.960 0.000 0.000 0.218 203 G HA3 -0.207 3.753 3.960 0.000 0.000 0.218 203 G C 2.013 176.819 174.900 -0.156 0.000 1.154 203 G CA 0.690 45.742 45.100 -0.081 0.000 0.767 203 G HN 0.338 nan 8.290 nan 0.000 0.552 204 L N 0.406 121.572 121.223 -0.095 0.000 2.056 204 L HA -0.068 4.272 4.340 0.000 0.000 0.207 204 L C 3.112 179.982 176.870 0.001 0.000 1.078 204 L CA 1.254 56.043 54.840 -0.085 0.000 0.749 204 L CB -0.398 41.721 42.059 0.101 0.000 0.901 204 L HN 0.329 nan 8.230 nan 0.000 0.433 205 S N 0.045 115.795 115.700 0.083 0.000 2.383 205 S HA -0.162 4.308 4.470 0.000 0.000 0.229 205 S C 1.957 176.516 174.600 -0.068 0.000 1.030 205 S CA 1.206 59.476 58.200 0.118 0.000 1.002 205 S CB -0.211 63.011 63.200 0.038 0.000 0.829 205 S HN 0.283 nan 8.310 nan 0.000 0.467 206 I N 1.311 121.704 120.570 -0.294 0.000 2.252 206 I HA -0.149 4.021 4.170 0.000 0.000 0.245 206 I C 2.755 178.537 176.117 -0.558 0.000 1.102 206 I CA 1.027 62.014 61.300 -0.522 0.000 1.385 206 I CB -0.540 37.082 38.000 -0.631 0.000 1.064 206 I HN 0.359 nan 8.210 nan 0.000 0.414 207 A N 0.977 123.542 122.820 -0.426 0.000 1.883 207 A HA -0.232 4.089 4.320 0.000 0.000 0.217 207 A C 2.022 179.423 177.584 -0.306 0.000 1.186 207 A CA 1.780 53.583 52.037 -0.390 0.000 0.624 207 A CB -1.010 17.686 19.000 -0.507 0.000 0.822 207 A HN 0.361 nan 8.150 nan 0.000 0.444 208 F N -0.978 118.970 119.950 -0.004 0.000 2.259 208 F HA -0.024 4.503 4.527 0.000 0.000 0.298 208 F C 1.965 177.808 175.800 0.070 0.000 1.088 208 F CA 0.966 59.003 58.000 0.062 0.000 1.358 208 F CB -0.625 38.428 39.000 0.087 0.000 1.040 208 F HN 0.238 nan 8.300 nan 0.000 0.505 209 L N -1.045 120.271 121.223 0.156 0.000 2.044 209 L HA -0.185 4.155 4.340 0.000 0.000 0.205 209 L C 2.236 179.258 176.870 0.252 0.000 1.075 209 L CA 1.797 56.730 54.840 0.156 0.000 0.747 209 L CB -0.985 41.114 42.059 0.067 0.000 0.903 209 L HN 0.023 nan 8.230 nan 0.000 0.435 210 Y N 0.131 120.469 120.300 0.065 0.000 2.181 210 Y HA -0.047 4.504 4.550 0.000 0.000 0.288 210 Y C 2.569 178.506 175.900 0.063 0.000 1.146 210 Y CA 0.819 58.947 58.100 0.048 0.000 1.164 210 Y CB -1.592 36.873 38.460 0.009 0.000 0.982 210 Y HN 0.261 nan 8.280 nan 0.000 0.515 211 G N -1.273 107.670 108.800 0.240 0.000 2.432 211 G HA2 -0.196 3.764 3.960 0.000 0.000 0.219 211 G HA3 -0.196 3.764 3.960 0.000 0.000 0.219 211 G C 1.935 176.947 174.900 0.187 0.000 1.135 211 G CA 1.122 46.329 45.100 0.177 0.000 0.767 211 G HN 0.377 nan 8.290 nan 0.000 0.550 212 S N 0.872 116.702 115.700 0.217 0.000 2.383 212 S HA 0.035 4.505 4.470 0.000 0.000 0.227 212 S C 2.747 177.475 174.600 0.214 0.000 1.026 212 S CA 1.092 59.411 58.200 0.198 0.000 0.981 212 S CB -0.237 63.082 63.200 0.199 0.000 0.818 212 S HN 0.567 nan 8.310 nan 0.000 0.472 213 A N 1.384 124.327 122.820 0.205 0.000 1.897 213 A HA 0.045 4.365 4.320 0.000 0.000 0.215 213 A C 2.083 179.756 177.584 0.149 0.000 1.181 213 A CA 1.093 53.239 52.037 0.183 0.000 0.620 213 A CB -0.687 18.400 19.000 0.145 0.000 0.821 213 A HN 0.412 nan 8.150 nan 0.000 0.443 214 L N -0.581 120.715 121.223 0.122 0.000 1.990 214 L HA -0.161 4.179 4.340 0.000 0.000 0.213 214 L C 2.217 179.130 176.870 0.070 0.000 1.072 214 L CA 2.316 57.204 54.840 0.080 0.000 0.755 214 L CB -0.678 41.416 42.059 0.059 0.000 0.889 214 L HN 0.320 nan 8.230 nan 0.000 0.432 215 L N -1.713 119.553 121.223 0.073 0.000 2.109 215 L HA -0.125 4.215 4.340 0.000 0.000 0.207 215 L C 2.236 179.192 176.870 0.145 0.000 1.086 215 L CA 1.561 56.414 54.840 0.021 0.000 0.760 215 L CB -0.864 41.194 42.059 -0.001 0.000 0.910 215 L HN 0.292 nan 8.230 nan 0.000 0.437 216 F N 0.120 120.102 119.950 0.052 0.000 2.259 216 F HA -0.005 4.523 4.527 0.000 0.000 0.298 216 F C 2.370 178.210 175.800 0.067 0.000 1.088 216 F CA 0.630 58.679 58.000 0.082 0.000 1.358 216 F CB -0.952 38.100 39.000 0.087 0.000 1.040 216 F HN 0.190 nan 8.300 nan 0.000 0.505 217 A N 0.007 122.966 122.820 0.231 0.000 1.877 217 A HA -0.216 4.104 4.320 0.000 0.000 0.216 217 A C 2.336 180.002 177.584 0.138 0.000 1.186 217 A CA 1.788 53.896 52.037 0.119 0.000 0.620 217 A CB -0.715 18.337 19.000 0.086 0.000 0.822 217 A HN 0.361 nan 8.150 nan 0.000 0.443 218 M N -1.809 117.876 119.600 0.141 0.000 2.065 218 M HA -0.201 4.279 4.480 0.000 0.000 0.259 218 M C 2.319 178.735 176.300 0.194 0.000 1.069 218 M CA 2.237 57.632 55.300 0.157 0.000 1.110 218 M CB -0.539 31.980 32.600 -0.135 0.000 1.328 218 M HN 0.714 nan 8.290 nan 0.000 0.405 219 H N -0.231 118.882 119.070 0.073 0.000 2.333 219 H HA 0.009 4.565 4.556 0.000 0.000 0.302 219 H C 1.963 177.380 175.328 0.148 0.000 1.075 219 H CA 2.019 58.112 56.048 0.075 0.000 1.348 219 H CB -0.612 29.155 29.762 0.009 0.000 1.393 219 H HN 0.302 nan 8.280 nan 0.000 0.509 220 G N 0.156 109.051 108.800 0.158 0.000 2.446 220 G HA2 -0.304 3.656 3.960 0.000 0.000 0.217 220 G HA3 -0.304 3.656 3.960 0.000 0.000 0.217 220 G C 1.921 176.766 174.900 -0.092 0.000 1.168 220 G CA 1.217 46.301 45.100 -0.026 0.000 0.771 220 G HN 0.618 nan 8.290 nan 0.000 0.551 221 A N 0.029 122.827 122.820 -0.038 0.000 1.902 221 A HA 0.001 4.321 4.320 0.000 0.000 0.217 221 A C 2.537 180.060 177.584 -0.101 0.000 1.181 221 A CA 2.453 54.448 52.037 -0.071 0.000 0.623 221 A CB -0.922 18.056 19.000 -0.036 0.000 0.818 221 A HN 0.311 nan 8.150 nan 0.000 0.443 222 T N 0.564 115.094 114.554 -0.039 0.000 2.674 222 T HA -0.113 4.237 4.350 0.000 0.000 0.265 222 T C 1.819 176.471 174.700 -0.081 0.000 1.039 222 T CA 1.497 63.573 62.100 -0.039 0.000 1.150 222 T CB -0.302 68.681 68.868 0.192 0.000 0.864 222 T HN 0.292 nan 8.240 nan 0.000 0.427 223 I N 1.289 121.776 120.570 -0.139 0.000 2.163 223 I HA -0.104 4.066 4.170 0.000 0.000 0.243 223 I C 2.395 178.448 176.117 -0.108 0.000 1.085 223 I CA 1.306 62.525 61.300 -0.134 0.000 1.347 223 I CB -1.380 36.477 38.000 -0.238 0.000 1.044 223 I HN 0.278 nan 8.210 nan 0.000 0.408 224 L N 0.571 121.712 121.223 -0.137 0.000 2.046 224 L HA -0.190 4.150 4.340 0.000 0.000 0.208 224 L C 2.767 179.556 176.870 -0.135 0.000 1.077 224 L CA 1.402 56.155 54.840 -0.146 0.000 0.747 224 L CB -0.772 41.183 42.059 -0.173 0.000 0.896 224 L HN 0.195 nan 8.230 nan 0.000 0.432 225 A N 0.019 122.761 122.820 -0.131 0.000 1.972 225 A HA -0.123 4.197 4.320 0.000 0.000 0.219 225 A C 1.930 179.490 177.584 -0.040 0.000 1.169 225 A CA 1.775 53.739 52.037 -0.122 0.000 0.635 225 A CB -0.609 18.277 19.000 -0.189 0.000 0.810 225 A HN 0.370 nan 8.150 nan 0.000 0.446 226 V N -1.757 118.165 119.914 0.013 0.000 3.342 226 V HA 0.130 4.250 4.120 0.000 0.000 0.322 226 V C 1.606 177.754 176.094 0.089 0.000 1.370 226 V CA 0.883 63.293 62.300 0.184 0.000 1.170 226 V CB -0.774 31.187 31.823 0.230 0.000 1.101 226 V HN 0.555 nan 8.190 nan 0.000 0.442 227 S N 2.396 118.070 115.700 -0.045 0.000 2.423 227 S HA -0.236 4.235 4.470 0.000 0.000 0.231 227 S C 1.981 176.502 174.600 -0.131 0.000 1.014 227 S CA 1.255 59.414 58.200 -0.068 0.000 0.965 227 S CB -0.708 62.437 63.200 -0.090 0.000 0.785 227 S HN 0.865 nan 8.310 nan 0.000 0.495 228 R N 0.429 120.754 120.500 -0.291 0.000 2.293 228 R HA 0.039 4.379 4.340 0.000 0.000 0.219 228 R C 0.380 176.298 176.300 -0.638 0.000 1.091 228 R CA 1.110 56.917 56.100 -0.489 0.000 1.004 228 R CB -0.713 29.187 30.300 -0.666 0.000 0.865 228 R HN 0.572 nan 8.270 nan 0.000 0.469 229 F N 0.066 120.010 119.950 -0.009 0.000 2.698 229 F HA 0.457 4.984 4.527 0.000 0.000 0.304 229 F C 1.111 176.909 175.800 -0.003 0.000 1.108 229 F CA -0.158 57.839 58.000 -0.005 0.000 1.263 229 F CB 1.322 40.317 39.000 -0.009 0.000 1.013 229 F HN 0.179 nan 8.300 nan 0.000 0.532 230 G N 0.677 109.530 108.800 0.088 0.000 2.147 230 G HA2 -0.281 3.679 3.960 0.000 0.000 0.244 230 G HA3 -0.281 3.679 3.960 0.000 0.000 0.244 230 G C 1.385 176.328 174.900 0.072 0.000 1.005 230 G CA 0.164 45.303 45.100 0.065 0.000 0.713 230 G HN 0.659 nan 8.290 nan 0.000 0.515 231 G N 1.019 109.872 108.800 0.089 0.000 2.475 231 G HA2 -0.126 3.834 3.960 0.000 0.000 0.220 231 G HA3 -0.126 3.834 3.960 0.000 0.000 0.220 231 G C 1.458 176.392 174.900 0.056 0.000 1.125 231 G CA 1.582 46.731 45.100 0.082 0.000 0.755 231 G HN 0.898 nan 8.290 nan 0.000 0.565 232 E N 0.922 121.139 120.200 0.028 0.000 2.482 232 E HA -0.049 4.301 4.350 0.000 0.000 0.196 232 E C 0.966 177.583 176.600 0.028 0.000 1.047 232 E CA -0.064 56.349 56.400 0.022 0.000 0.869 232 E CB -0.200 29.495 29.700 -0.010 0.000 0.836 232 E HN 0.300 nan 8.360 nan 0.000 0.520 233 R N 1.659 122.176 120.500 0.029 0.000 3.710 233 R HA 0.121 4.461 4.340 0.000 0.000 0.201 233 R C 0.789 177.104 176.300 0.026 0.000 1.641 233 R CA -0.002 56.110 56.100 0.020 0.000 1.390 233 R CB 0.078 30.389 30.300 0.019 0.000 1.341 233 R HN 0.263 nan 8.270 nan 0.000 0.728 234 E N 0.782 120.997 120.200 0.024 0.000 2.107 234 E HA -0.168 4.182 4.350 0.000 0.000 0.191 234 E C 1.384 177.985 176.600 0.001 0.000 0.982 234 E CA 0.910 57.333 56.400 0.039 0.000 0.809 234 E CB 0.102 29.829 29.700 0.046 0.000 0.756 234 E HN 0.472 nan 8.360 nan 0.000 0.459 235 L N 0.799 122.003 121.223 -0.032 0.000 2.017 235 L HA -0.208 4.132 4.340 0.000 0.000 0.208 235 L C 2.551 179.414 176.870 -0.011 0.000 1.073 235 L CA 1.194 56.011 54.840 -0.037 0.000 0.745 235 L CB -0.209 41.820 42.059 -0.050 0.000 0.894 235 L HN 0.080 nan 8.230 nan 0.000 0.432 236 E N -0.442 119.756 120.200 -0.002 0.000 2.208 236 E HA -0.184 4.166 4.350 0.000 0.000 0.193 236 E C 2.228 178.838 176.600 0.017 0.000 0.988 236 E CA 0.836 57.240 56.400 0.006 0.000 0.828 236 E CB 0.091 29.796 29.700 0.008 0.000 0.763 236 E HN 0.323 nan 8.360 nan 0.000 0.478 237 Q N -0.268 119.548 119.800 0.027 0.000 2.167 237 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 237 Q C 2.268 178.290 176.000 0.038 0.000 0.970 237 Q CA 0.923 56.749 55.803 0.038 0.000 0.855 237 Q CB 0.003 28.775 28.738 0.057 0.000 0.911 237 Q HN 0.440 nan 8.270 nan 0.000 0.438 238 I N 0.453 121.042 120.570 0.033 0.000 2.252 238 I HA -0.213 3.957 4.170 0.000 0.000 0.245 238 I C 2.274 178.403 176.117 0.021 0.000 1.102 238 I CA 1.030 62.349 61.300 0.031 0.000 1.385 238 I CB -0.287 37.724 38.000 0.017 0.000 1.064 238 I HN 0.043 nan 8.210 nan 0.000 0.414 239 A N -0.900 121.928 122.820 0.013 0.000 2.014 239 A HA -0.141 4.179 4.320 0.000 0.000 0.218 239 A C 0.782 178.373 177.584 0.013 0.000 1.163 239 A CA 1.378 53.420 52.037 0.010 0.000 0.652 239 A CB -0.060 18.942 19.000 0.003 0.000 0.808 239 A HN 0.404 nan 8.150 nan 0.000 0.449 240 D N -1.226 119.184 120.400 0.016 0.000 2.752 240 D HA 0.118 4.758 4.640 0.000 0.000 0.242 240 D C -0.415 175.896 176.300 0.018 0.000 1.295 240 D CA -0.428 53.581 54.000 0.015 0.000 0.846 240 D CB -0.013 40.795 40.800 0.013 0.000 1.454 240 D HN 0.268 nan 8.370 nan 0.000 0.535 241 R N 1.014 121.525 120.500 0.019 0.000 2.523 241 R HA 0.356 4.696 4.340 0.000 0.000 0.281 241 R C 0.306 176.612 176.300 0.010 0.000 0.969 241 R CA 0.636 56.747 56.100 0.019 0.000 1.093 241 R CB 0.327 30.637 30.300 0.017 0.000 0.917 241 R HN 0.363 nan 8.270 nan 0.000 0.408 242 G N 0.606 109.411 108.800 0.009 0.000 2.932 242 G HA2 0.103 4.063 3.960 0.000 0.000 0.283 242 G HA3 0.103 4.063 3.960 0.000 0.000 0.283 242 G C 0.383 175.258 174.900 -0.042 0.000 1.336 242 G CA -0.288 44.810 45.100 -0.003 0.000 1.056 242 G HN 0.576 nan 8.290 nan 0.000 0.522 243 T N -0.423 114.084 114.554 -0.079 0.000 2.881 243 T HA -0.030 4.320 4.350 0.000 0.000 0.270 243 T C 2.542 177.072 174.700 -0.285 0.000 1.068 243 T CA 2.307 64.283 62.100 -0.206 0.000 1.131 243 T CB -0.531 68.163 68.868 -0.290 0.000 0.871 243 T HN 0.655 nan 8.240 nan 0.000 0.479 244 A N 1.155 123.903 122.820 -0.119 0.000 1.865 244 A HA 0.140 4.461 4.320 0.000 0.000 0.217 244 A C 2.728 180.299 177.584 -0.021 0.000 1.191 244 A CA 2.096 54.130 52.037 -0.005 0.000 0.623 244 A CB -1.392 17.695 19.000 0.144 0.000 0.826 244 A HN 0.637 nan 8.150 nan 0.000 0.444 245 A N -0.537 122.283 122.820 -0.001 0.000 1.930 245 A HA -0.142 4.178 4.320 0.000 0.000 0.217 245 A C 1.935 179.508 177.584 -0.018 0.000 1.175 245 A CA 1.602 53.650 52.037 0.020 0.000 0.627 245 A CB -0.481 18.540 19.000 0.035 0.000 0.815 245 A HN 0.660 nan 8.150 nan 0.000 0.443 246 E N -0.492 119.667 120.200 -0.068 0.000 2.072 246 E HA -0.152 4.198 4.350 0.000 0.000 0.190 246 E C 2.328 178.831 176.600 -0.163 0.000 0.982 246 E CA 0.971 57.310 56.400 -0.101 0.000 0.803 246 E CB -0.155 29.479 29.700 -0.111 0.000 0.755 246 E HN 0.544 nan 8.360 nan 0.000 0.453 247 R N 0.614 120.990 120.500 -0.207 0.000 2.092 247 R HA -0.054 4.287 4.340 0.000 0.000 0.231 247 R C 2.387 178.595 176.300 -0.154 0.000 1.119 247 R CA 0.986 56.939 56.100 -0.245 0.000 0.970 247 R CB -0.274 29.842 30.300 -0.307 0.000 0.864 247 R HN 0.087 nan 8.270 nan 0.000 0.440 248 A N 1.488 124.271 122.820 -0.061 0.000 1.865 248 A HA -0.180 4.140 4.320 0.000 0.000 0.217 248 A C 2.406 180.059 177.584 0.115 0.000 1.191 248 A CA 1.887 53.952 52.037 0.046 0.000 0.623 248 A CB -0.853 18.209 19.000 0.103 0.000 0.826 248 A HN 0.398 nan 8.150 nan 0.000 0.444 249 A N -0.521 122.328 122.820 0.049 0.000 1.908 249 A HA -0.059 4.261 4.320 0.000 0.000 0.218 249 A C 2.181 179.719 177.584 -0.076 0.000 1.181 249 A CA 1.612 53.677 52.037 0.046 0.000 0.627 249 A CB -0.600 18.406 19.000 0.010 0.000 0.818 249 A HN 0.484 nan 8.150 nan 0.000 0.445 250 L N -2.138 118.917 121.223 -0.280 0.000 2.156 250 L HA -0.070 4.270 4.340 0.000 0.000 0.208 250 L C 2.404 178.794 176.870 -0.799 0.000 1.095 250 L CA 1.015 55.439 54.840 -0.694 0.000 0.770 250 L CB -0.481 40.969 42.059 -1.016 0.000 0.914 250 L HN 0.520 nan 8.230 nan 0.000 0.439 251 F N 0.248 119.835 119.950 -0.604 0.000 2.091 251 F HA -0.271 4.256 4.527 0.000 0.000 0.299 251 F C 1.973 177.455 175.800 -0.530 0.000 1.103 251 F CA 1.747 59.406 58.000 -0.569 0.000 1.228 251 F CB -0.406 38.214 39.000 -0.632 0.000 0.984 251 F HN -0.020 nan 8.300 nan 0.000 0.477 252 W N 0.333 121.600 121.300 -0.053 0.000 2.418 252 W HA -0.003 4.658 4.660 0.000 0.000 0.292 252 W C 2.803 179.187 176.519 -0.226 0.000 1.213 252 W CA 1.166 58.424 57.345 -0.146 0.000 1.283 252 W CB -0.548 28.833 29.460 -0.132 0.000 1.119 252 W HN -0.125 nan 8.180 nan 0.000 0.542 253 R N -0.288 120.206 120.500 -0.009 0.000 2.083 253 R HA -0.197 4.144 4.340 0.000 0.000 0.237 253 R C 1.932 178.333 176.300 0.169 0.000 1.137 253 R CA 2.051 58.183 56.100 0.052 0.000 0.951 253 R CB -0.648 29.672 30.300 0.033 0.000 0.851 253 R HN 0.135 nan 8.270 nan 0.000 0.434 254 W N 0.092 121.307 121.300 -0.143 0.000 2.436 254 W HA 0.011 4.671 4.660 0.000 0.000 0.284 254 W C 2.127 178.507 176.519 -0.231 0.000 1.225 254 W CA 0.869 58.108 57.345 -0.176 0.000 1.271 254 W CB -1.022 28.308 29.460 -0.217 0.000 1.114 254 W HN 0.119 nan 8.180 nan 0.000 0.559 255 T N 0.683 115.151 114.554 -0.143 0.000 2.735 255 T HA -0.111 4.240 4.350 0.000 0.000 0.256 255 T C 1.677 176.372 174.700 -0.009 0.000 1.042 255 T CA 1.909 63.879 62.100 -0.217 0.000 1.147 255 T CB -0.259 68.275 68.868 -0.557 0.000 0.865 255 T HN 0.201 nan 8.240 nan 0.000 0.421 256 M N -0.957 118.684 119.600 0.068 0.000 2.347 256 M HA 0.589 5.069 4.480 0.000 0.000 0.324 256 M C 1.212 177.651 176.300 0.233 0.000 1.028 256 M CA 0.237 55.624 55.300 0.145 0.000 0.988 256 M CB 1.067 33.763 32.600 0.161 0.000 1.528 256 M HN 0.294 nan 8.290 nan 0.000 0.550 257 G N 2.161 111.078 108.800 0.195 0.000 2.176 257 G HA2 -0.265 3.695 3.960 0.000 0.000 0.253 257 G HA3 -0.265 3.695 3.960 0.000 0.000 0.253 257 G C -0.238 174.879 174.900 0.361 0.000 0.979 257 G CA 0.511 45.760 45.100 0.249 0.000 0.641 257 G HN 0.877 nan 8.290 nan 0.000 0.530 258 F N -0.635 119.374 119.950 0.098 0.000 2.779 258 F HA 0.760 5.288 4.527 0.000 0.000 0.316 258 F C -0.856 175.003 175.800 0.099 0.000 1.164 258 F CA -1.127 56.925 58.000 0.087 0.000 0.924 258 F CB 0.688 39.728 39.000 0.067 0.000 1.348 258 F HN 0.481 nan 8.300 nan 0.000 0.467 259 N N 0.987 119.662 118.700 -0.041 0.000 3.179 259 N HA 0.699 5.440 4.740 0.000 0.000 0.250 259 N C -1.916 173.617 175.510 0.039 0.000 1.507 259 N CA -0.583 52.401 53.050 -0.109 0.000 0.883 259 N CB 1.737 40.241 38.487 0.029 0.000 1.435 259 N HN 1.131 nan 8.380 nan 0.000 0.532 260 A N -0.139 122.694 122.820 0.022 0.000 2.392 260 A HA 0.849 5.169 4.320 0.000 0.000 0.283 260 A C -0.043 177.610 177.584 0.115 0.000 1.197 260 A CA -0.196 51.910 52.037 0.115 0.000 0.895 260 A CB 0.730 19.757 19.000 0.044 0.000 1.400 260 A HN 0.869 nan 8.150 nan 0.000 0.461 261 T N -3.277 111.356 114.554 0.132 0.000 2.940 261 T HA 0.443 4.793 4.350 0.000 0.000 0.288 261 T C 0.881 175.653 174.700 0.119 0.000 1.045 261 T CA -0.133 62.032 62.100 0.109 0.000 1.018 261 T CB 0.997 69.926 68.868 0.101 0.000 1.151 261 T HN 0.487 nan 8.240 nan 0.000 0.529 262 M N 0.470 120.145 119.600 0.125 0.000 2.149 262 M HA -0.043 4.437 4.480 0.000 0.000 0.261 262 M C 2.102 178.543 176.300 0.235 0.000 1.064 262 M CA 1.828 57.235 55.300 0.178 0.000 1.102 262 M CB -0.840 31.847 32.600 0.145 0.000 1.369 262 M HN 0.902 nan 8.290 nan 0.000 0.408 263 E N -1.446 118.849 120.200 0.158 0.000 2.051 263 E HA -0.078 4.272 4.350 0.000 0.000 0.189 263 E C 1.951 178.649 176.600 0.163 0.000 0.979 263 E CA 1.049 57.539 56.400 0.151 0.000 0.803 263 E CB -0.463 29.282 29.700 0.074 0.000 0.761 263 E HN 0.606 nan 8.360 nan 0.000 0.451 264 G N 1.363 110.242 108.800 0.131 0.000 2.422 264 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 264 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 264 G C 1.518 176.525 174.900 0.178 0.000 1.140 264 G CA 0.612 45.788 45.100 0.126 0.000 0.775 264 G HN 0.308 nan 8.290 nan 0.000 0.545 265 I N 0.799 121.436 120.570 0.113 0.000 2.335 265 I HA -0.136 4.034 4.170 0.000 0.000 0.251 265 I C 2.311 178.285 176.117 -0.237 0.000 1.129 265 I CA 1.183 62.453 61.300 -0.051 0.000 1.402 265 I CB -0.370 37.439 38.000 -0.318 0.000 1.069 265 I HN 0.294 nan 8.210 nan 0.000 0.424 266 H N -0.419 118.602 119.070 -0.082 0.000 2.495 266 H HA 0.062 4.619 4.556 0.000 0.000 0.287 266 H C 2.233 177.536 175.328 -0.041 0.000 1.033 266 H CA 0.990 56.964 56.048 -0.123 0.000 1.307 266 H CB -0.079 29.607 29.762 -0.127 0.000 1.401 266 H HN 0.296 nan 8.280 nan 0.000 0.555 267 R N -0.580 119.977 120.500 0.096 0.000 2.075 267 R HA -0.100 4.240 4.340 0.000 0.000 0.226 267 R C 1.568 177.974 176.300 0.177 0.000 1.114 267 R CA 1.133 57.308 56.100 0.125 0.000 0.972 267 R CB -0.325 30.016 30.300 0.068 0.000 0.869 267 R HN 0.369 nan 8.270 nan 0.000 0.437 268 W N 1.331 122.671 121.300 0.067 0.000 2.318 268 W HA -0.227 4.433 4.660 0.000 0.000 0.313 268 W C 2.617 179.150 176.519 0.024 0.000 1.221 268 W CA 1.395 58.772 57.345 0.053 0.000 1.266 268 W CB -0.363 29.074 29.460 -0.038 0.000 1.150 268 W HN 0.194 nan 8.180 nan 0.000 0.496 269 A N 0.147 123.048 122.820 0.134 0.000 1.865 269 A HA -0.245 4.076 4.320 0.000 0.000 0.217 269 A C 1.921 179.498 177.584 -0.012 0.000 1.191 269 A CA 1.904 53.918 52.037 -0.038 0.000 0.623 269 A CB -1.141 17.709 19.000 -0.250 0.000 0.826 269 A HN 0.366 nan 8.150 nan 0.000 0.444 270 I N -2.149 118.405 120.570 -0.027 0.000 2.226 270 I HA -0.271 3.899 4.170 0.000 0.000 0.245 270 I C 2.322 178.341 176.117 -0.164 0.000 1.100 270 I CA 1.519 62.747 61.300 -0.120 0.000 1.374 270 I CB -0.112 37.779 38.000 -0.183 0.000 1.057 270 I HN 0.618 nan 8.210 nan 0.000 0.413 271 W N -0.089 121.207 121.300 -0.006 0.000 2.409 271 W HA -0.212 4.448 4.660 0.000 0.000 0.299 271 W C 2.482 178.966 176.519 -0.058 0.000 1.203 271 W CA 0.993 58.311 57.345 -0.046 0.000 1.298 271 W CB -0.365 29.048 29.460 -0.079 0.000 1.127 271 W HN 0.151 nan 8.180 nan 0.000 0.528 272 M N 1.080 120.843 119.600 0.271 0.000 2.082 272 M HA -0.194 4.286 4.480 0.000 0.000 0.258 272 M C 2.081 178.475 176.300 0.155 0.000 1.069 272 M CA 2.544 58.001 55.300 0.262 0.000 1.102 272 M CB -0.871 31.901 32.600 0.287 0.000 1.336 272 M HN -0.032 nan 8.290 nan 0.000 0.404 273 A N -0.743 122.132 122.820 0.091 0.000 1.855 273 A HA -0.074 4.246 4.320 0.000 0.000 0.215 273 A C 2.176 179.780 177.584 0.033 0.000 1.191 273 A CA 2.173 54.251 52.037 0.068 0.000 0.613 273 A CB -1.637 17.382 19.000 0.031 0.000 0.829 273 A HN 0.693 nan 8.150 nan 0.000 0.442 274 V N -1.812 118.082 119.914 -0.034 0.000 2.626 274 V HA -0.135 3.985 4.120 0.000 0.000 0.252 274 V C 2.149 178.225 176.094 -0.030 0.000 1.067 274 V CA 1.874 64.144 62.300 -0.049 0.000 1.081 274 V CB -0.918 30.799 31.823 -0.177 0.000 0.686 274 V HN 0.422 nan 8.190 nan 0.000 0.468 275 L N -0.235 120.920 121.223 -0.114 0.000 2.275 275 L HA -0.063 4.277 4.340 0.000 0.000 0.215 275 L C 2.614 179.411 176.870 -0.121 0.000 1.119 275 L CA 0.909 55.569 54.840 -0.299 0.000 0.790 275 L CB -0.466 40.956 42.059 -1.063 0.000 0.919 275 L HN 0.257 nan 8.230 nan 0.000 0.443 276 V N 0.085 120.028 119.914 0.047 0.000 2.231 276 V HA -0.352 3.768 4.120 0.000 0.000 0.248 276 V C 2.607 178.802 176.094 0.169 0.000 1.054 276 V CA 2.688 65.099 62.300 0.185 0.000 1.015 276 V CB -1.088 30.836 31.823 0.168 0.000 0.638 276 V HN 0.671 nan 8.190 nan 0.000 0.444 277 T N -2.330 112.318 114.554 0.156 0.000 3.043 277 T HA 0.096 4.446 4.350 0.000 0.000 0.263 277 T C 1.829 176.720 174.700 0.320 0.000 1.094 277 T CA 0.658 62.877 62.100 0.199 0.000 1.127 277 T CB -0.224 68.757 68.868 0.188 0.000 0.905 277 T HN 0.306 nan 8.240 nan 0.000 0.490 278 L N 1.946 123.327 121.223 0.263 0.000 1.994 278 L HA -0.089 4.252 4.340 0.000 0.000 0.208 278 L C 3.349 180.421 176.870 0.337 0.000 1.071 278 L CA 1.945 56.957 54.840 0.286 0.000 0.745 278 L CB -1.231 40.883 42.059 0.091 0.000 0.892 278 L HN 0.482 nan 8.230 nan 0.000 0.431 279 T N -2.883 111.837 114.554 0.277 0.000 2.746 279 T HA -0.118 4.232 4.350 0.000 0.000 0.267 279 T C 1.944 176.820 174.700 0.293 0.000 1.039 279 T CA 1.048 63.373 62.100 0.375 0.000 1.142 279 T CB -1.114 68.045 68.868 0.485 0.000 0.866 279 T HN 0.395 nan 8.240 nan 0.000 0.444 280 G N 1.453 110.391 108.800 0.231 0.000 2.459 280 G HA2 0.018 3.979 3.960 0.000 0.000 0.217 280 G HA3 0.018 3.979 3.960 0.000 0.000 0.217 280 G C 1.770 176.708 174.900 0.064 0.000 1.183 280 G CA 0.774 45.959 45.100 0.141 0.000 0.776 280 G HN 0.680 nan 8.290 nan 0.000 0.552 281 G N 0.883 109.718 108.800 0.058 0.000 2.418 281 G HA2 -0.156 3.805 3.960 0.000 0.000 0.217 281 G HA3 -0.156 3.805 3.960 0.000 0.000 0.217 281 G C 1.794 176.612 174.900 -0.137 0.000 1.158 281 G CA 0.852 45.777 45.100 -0.291 0.000 0.771 281 G HN 0.454 nan 8.290 nan 0.000 0.545 282 I N 1.285 121.963 120.570 0.180 0.000 2.163 282 I HA -0.109 4.062 4.170 0.000 0.000 0.243 282 I C 3.117 179.104 176.117 -0.217 0.000 1.085 282 I CA 1.146 62.405 61.300 -0.067 0.000 1.347 282 I CB -0.543 37.154 38.000 -0.506 0.000 1.044 282 I HN 0.233 nan 8.210 nan 0.000 0.408 283 G N 1.328 110.035 108.800 -0.155 0.000 2.440 283 G HA2 -0.220 3.740 3.960 0.000 0.000 0.218 283 G HA3 -0.220 3.740 3.960 0.000 0.000 0.218 283 G C 1.567 176.505 174.900 0.064 0.000 1.154 283 G CA 0.671 45.765 45.100 -0.010 0.000 0.767 283 G HN 0.198 nan 8.290 nan 0.000 0.552 284 I N 0.349 120.928 120.570 0.015 0.000 2.286 284 I HA -0.016 4.154 4.170 0.000 0.000 0.245 284 I C 2.609 178.770 176.117 0.074 0.000 1.104 284 I CA 0.488 61.809 61.300 0.035 0.000 1.397 284 I CB -1.155 36.775 38.000 -0.117 0.000 1.072 284 I HN 0.124 nan 8.210 nan 0.000 0.417 285 L N 0.801 122.007 121.223 -0.028 0.000 2.079 285 L HA -0.135 4.206 4.340 0.000 0.000 0.210 285 L C 2.254 179.159 176.870 0.060 0.000 1.081 285 L CA 1.737 56.568 54.840 -0.016 0.000 0.752 285 L CB -0.604 41.420 42.059 -0.058 0.000 0.896 285 L HN 0.135 nan 8.230 nan 0.000 0.433 286 L N -1.242 120.043 121.223 0.105 0.000 2.376 286 L HA -0.016 4.324 4.340 0.000 0.000 0.219 286 L C 0.846 177.792 176.870 0.127 0.000 1.133 286 L CA -0.023 54.898 54.840 0.134 0.000 0.816 286 L CB -0.396 41.805 42.059 0.236 0.000 0.933 286 L HN 0.056 nan 8.230 nan 0.000 0.449 287 S N 0.175 115.995 115.700 0.199 0.000 2.430 287 S HA 0.396 4.866 4.470 0.000 0.000 0.282 287 S C 1.084 175.643 174.600 -0.069 0.000 1.186 287 S CA 0.397 58.643 58.200 0.077 0.000 1.060 287 S CB 0.959 64.205 63.200 0.077 0.000 0.966 287 S HN 0.554 nan 8.310 nan 0.000 0.501 288 G N 3.190 111.990 108.800 -0.001 0.000 2.299 288 G HA2 -0.363 3.597 3.960 0.000 0.000 0.237 288 G HA3 -0.363 3.597 3.960 0.000 0.000 0.237 288 G C 1.088 175.989 174.900 0.001 0.000 1.027 288 G CA 0.842 45.994 45.100 0.086 0.000 0.619 288 G HN 0.810 nan 8.290 nan 0.000 0.513 289 T N -2.360 112.190 114.554 -0.007 0.000 2.976 289 T HA 0.419 4.769 4.350 0.000 0.000 0.257 289 T C 2.032 176.712 174.700 -0.033 0.000 1.051 289 T CA 2.038 64.129 62.100 -0.015 0.000 1.141 289 T CB 0.307 69.177 68.868 0.002 0.000 0.881 289 T HN 0.674 nan 8.240 nan 0.000 0.461 290 V N -0.018 119.862 119.914 -0.056 0.000 3.250 290 V HA 0.382 4.502 4.120 0.000 0.000 0.240 290 V C 0.148 176.146 176.094 -0.159 0.000 1.275 290 V CA -0.103 62.154 62.300 -0.071 0.000 1.206 290 V CB 1.309 33.110 31.823 -0.036 0.000 0.976 290 V HN 0.311 nan 8.190 nan 0.000 0.467 291 V N 1.236 120.968 119.914 -0.303 0.000 2.407 291 V HA 0.424 4.544 4.120 0.000 0.000 0.291 291 V C 0.169 176.009 176.094 -0.423 0.000 1.018 291 V CA -0.370 61.603 62.300 -0.545 0.000 0.842 291 V CB 1.566 32.564 31.823 -1.375 0.000 0.996 291 V HN 0.270 nan 8.190 nan 0.000 0.426 292 D N 2.412 122.653 120.400 -0.265 0.000 2.289 292 D HA 0.047 4.687 4.640 0.000 0.000 0.207 292 D C 0.614 176.810 176.300 -0.174 0.000 0.966 292 D CA 0.973 54.874 54.000 -0.166 0.000 0.868 292 D CB 0.357 41.076 40.800 -0.135 0.000 0.943 292 D HN 0.504 nan 8.370 nan 0.000 0.514 293 N N -0.580 117.983 118.700 -0.228 0.000 2.572 293 N HA -0.008 4.732 4.740 0.000 0.000 0.287 293 N C -0.333 175.153 175.510 -0.041 0.000 1.136 293 N CA -0.394 52.607 53.050 -0.082 0.000 0.900 293 N CB 0.287 38.766 38.487 -0.014 0.000 1.484 293 N HN -0.133 nan 8.380 nan 0.000 0.526 294 W N 1.915 123.338 121.300 0.206 0.000 2.436 294 W HA -0.059 4.602 4.660 0.000 0.000 0.284 294 W C 1.813 178.506 176.519 0.290 0.000 1.225 294 W CA 0.462 57.974 57.345 0.278 0.000 1.271 294 W CB -0.225 29.404 29.460 0.281 0.000 1.114 294 W HN 0.680 nan 8.180 nan 0.000 0.559 295 Y N 0.764 121.186 120.300 0.204 0.000 2.128 295 Y HA -0.311 4.240 4.550 0.000 0.000 0.284 295 Y C 2.207 178.024 175.900 -0.139 0.000 1.154 295 Y CA 2.161 60.072 58.100 -0.315 0.000 1.149 295 Y CB -0.870 37.323 38.460 -0.445 0.000 0.976 295 Y HN -0.222 nan 8.280 nan 0.000 0.505 296 V N -0.630 119.251 119.914 -0.055 0.000 2.295 296 V HA -0.310 3.810 4.120 0.000 0.000 0.246 296 V C 2.107 178.138 176.094 -0.104 0.000 1.049 296 V CA 2.005 64.223 62.300 -0.136 0.000 1.024 296 V CB -1.152 30.665 31.823 -0.010 0.000 0.648 296 V HN 0.728 nan 8.190 nan 0.000 0.447 297 W N 1.441 122.655 121.300 -0.144 0.000 2.338 297 W HA -0.139 4.521 4.660 0.000 0.000 0.304 297 W C 2.294 178.770 176.519 -0.072 0.000 1.212 297 W CA 1.941 59.230 57.345 -0.092 0.000 1.264 297 W CB -0.622 28.780 29.460 -0.097 0.000 1.142 297 W HN 0.241 nan 8.180 nan 0.000 0.512 298 G N -0.460 108.387 108.800 0.078 0.000 2.443 298 G HA2 -0.239 3.722 3.960 0.000 0.000 0.219 298 G HA3 -0.239 3.722 3.960 0.000 0.000 0.219 298 G C 1.389 175.948 174.900 -0.568 0.000 1.131 298 G CA 0.737 45.719 45.100 -0.197 0.000 0.775 298 G HN 0.261 nan 8.290 nan 0.000 0.547 299 Q N 0.549 120.034 119.800 -0.524 0.000 2.224 299 Q HA 0.014 4.354 4.340 0.000 0.000 0.203 299 Q C 1.828 177.611 176.000 -0.362 0.000 0.970 299 Q CA 0.659 56.172 55.803 -0.484 0.000 0.865 299 Q CB -0.187 28.264 28.738 -0.479 0.000 0.922 299 Q HN 0.581 nan 8.270 nan 0.000 0.445 300 N N -0.429 118.044 118.700 -0.379 0.000 2.280 300 N HA -0.021 4.719 4.740 0.000 0.000 0.192 300 N C -0.146 175.197 175.510 -0.278 0.000 1.109 300 N CA -0.029 52.858 53.050 -0.272 0.000 0.855 300 N CB 0.313 38.642 38.487 -0.264 0.000 0.974 300 N HN 0.362 nan 8.380 nan 0.000 0.482 301 H N -0.707 118.045 119.070 -0.531 0.000 3.888 301 H HA -0.177 4.380 4.556 0.000 0.000 0.200 301 H C 0.755 175.446 175.328 -1.062 0.000 0.974 301 H CA 1.373 57.035 56.048 -0.644 0.000 1.220 301 H CB -1.077 28.494 29.762 -0.319 0.000 1.120 301 H HN 0.467 nan 8.280 nan 0.000 0.335 302 G N -0.480 107.749 108.800 -0.951 0.000 5.061 302 G HA2 0.595 4.556 3.960 0.000 0.000 0.213 302 G HA3 0.595 4.556 3.960 0.000 0.000 0.213 302 G C -0.211 174.451 174.900 -0.397 0.000 1.463 302 G CA 0.686 45.361 45.100 -0.708 0.000 0.617 302 G HN 0.592 nan 8.290 nan 0.000 0.289 303 M N 0.000 119.295 119.600 -0.508 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