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 1uqt_1_B DATA FIRST_RESID 1 DATA SEQUENCE SRLVVVSNRI APPXXXXXXA GGLAVGILGA LKAAGGLWFG WSGETGNEDQ DATA SEQUENCE PLKKVKKGNI TWASFNLSEQ DLDEYYNQFS NAVLWPAFHY RLDLVQFQRP DATA SEQUENCE AWDGYLRVNA LLADKLLPLL QDDDIIWIHD YHLLPFAHEL RKRGVNNRIG DATA SEQUENCE FFLHIPFPTP EIFNALPTYD TLLEQLCDYD LLGFQTENDR LAFLDCLSNL DATA SEQUENCE TRVTTRSAKS HTAWGKAFRT EVYPIGIEPK EIAKQAAGPL PPKLAQLKAE DATA SEQUENCE LKNVQNIFSV ERLDYSKGLP ERFLAYEALL EKYPQHHGKI RYTQIAPTSR DATA SEQUENCE GDVQAYQDIR HQLENEAGRI NGKYGQLGWT PLYYLNQHFD RKLLMKIFRY DATA SEQUENCE SDVGLVTPLR DGMNLVAKEY VAAQDPANPG VLVLSQFAGA ANELTSALIV DATA SEQUENCE NPYDRDEVAA ALDRALTMSL AERISRHAEM LDVIVKNDIN HWQECFISDL DATA SEQUENCE KQIVPR 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.606 174.600 0.010 0.000 1.055 1 S CA 0.000 58.202 58.200 0.003 0.000 1.107 1 S CB 0.000 63.201 63.200 0.002 0.000 0.593 2 R N -0.240 120.270 120.500 0.017 0.000 2.756 2 R HA 0.391 4.726 4.340 -0.007 0.000 0.264 2 R C -0.752 175.573 176.300 0.041 0.000 1.026 2 R CA -0.134 55.982 56.100 0.026 0.000 1.121 2 R CB 0.100 30.419 30.300 0.031 0.000 0.999 2 R HN 0.610 nan 8.270 nan 0.000 0.449 3 L N 3.519 124.772 121.223 0.050 0.000 2.333 3 L HA 0.392 4.728 4.340 -0.007 0.000 0.280 3 L C -1.374 175.557 176.870 0.103 0.000 1.004 3 L CA -0.413 54.479 54.840 0.086 0.000 0.820 3 L CB 2.072 44.183 42.059 0.087 0.000 1.247 3 L HN 0.282 nan 8.230 nan 0.000 0.416 4 V N 6.167 126.173 119.914 0.154 0.000 2.350 4 V HA 0.479 4.595 4.120 -0.007 0.000 0.285 4 V C -0.351 175.892 176.094 0.249 0.000 1.014 4 V CA -0.599 61.808 62.300 0.179 0.000 0.831 4 V CB 1.685 33.605 31.823 0.163 0.000 1.000 4 V HN 0.558 nan 8.190 nan 0.000 0.433 5 V N 5.846 125.894 119.914 0.223 0.000 2.472 5 V HA 0.631 4.747 4.120 -0.007 0.000 0.290 5 V C -0.061 176.267 176.094 0.390 0.000 1.037 5 V CA -0.615 61.816 62.300 0.220 0.000 0.908 5 V CB 1.852 33.591 31.823 -0.140 0.000 0.985 5 V HN 0.662 nan 8.190 nan 0.000 0.454 6 V N 3.591 123.741 119.914 0.394 0.000 2.588 6 V HA 0.995 5.111 4.120 -0.007 0.000 0.304 6 V C -0.396 175.913 176.094 0.358 0.000 1.042 6 V CA 0.122 62.679 62.300 0.428 0.000 0.877 6 V CB 2.048 34.098 31.823 0.378 0.000 0.996 6 V HN 1.166 nan 8.190 nan 0.000 0.425 7 S N 3.862 119.764 115.700 0.337 0.000 2.537 7 S HA 0.379 4.845 4.470 -0.007 0.000 0.270 7 S C 0.488 175.165 174.600 0.128 0.000 1.142 7 S CA -0.214 58.137 58.200 0.251 0.000 0.870 7 S CB 1.573 64.941 63.200 0.280 0.000 1.112 7 S HN 0.962 nan 8.310 nan 0.000 0.466 8 N N 1.239 119.981 118.700 0.069 0.000 2.084 8 N HA -0.097 4.639 4.740 -0.007 0.000 0.190 8 N C -0.101 175.405 175.510 -0.008 0.000 1.030 8 N CA 0.961 54.014 53.050 0.005 0.000 0.849 8 N CB -0.015 38.298 38.487 -0.290 0.000 1.012 8 N HN 0.517 nan 8.380 nan 0.000 0.423 9 R N 0.568 121.029 120.500 -0.064 0.000 2.732 9 R HA 0.475 4.811 4.340 -0.007 0.000 0.278 9 R C 0.062 176.206 176.300 -0.259 0.000 0.976 9 R CA -0.645 55.360 56.100 -0.159 0.000 0.963 9 R CB 1.729 31.950 30.300 -0.132 0.000 1.150 9 R HN 0.281 nan 8.270 nan 0.000 0.478 10 I N -2.486 117.815 120.570 -0.449 0.000 3.145 10 I HA 0.818 4.983 4.170 -0.007 0.000 0.313 10 I C -0.939 174.831 176.117 -0.577 0.000 1.122 10 I CA -1.307 59.541 61.300 -0.752 0.000 0.987 10 I CB 2.561 39.826 38.000 -1.225 0.000 1.236 10 I HN 0.495 nan 8.210 nan 0.000 0.453 11 A N 3.124 125.576 122.820 -0.612 0.000 2.311 11 A HA 0.878 5.193 4.320 -0.007 0.000 0.306 11 A C -2.721 174.619 177.584 -0.407 0.000 1.189 11 A CA -1.520 50.309 52.037 -0.347 0.000 0.791 11 A CB 0.303 19.234 19.000 -0.115 0.000 1.172 11 A HN 0.597 nan 8.150 nan 0.000 0.481 12 P HA 0.490 nan 4.420 nan 0.000 0.289 12 P C -2.180 174.694 177.300 -0.710 0.000 1.299 12 P CA -0.988 61.551 63.100 -0.935 0.000 0.766 12 P CB -0.536 30.759 31.700 -0.675 0.000 1.226 21 G N -1.358 107.491 108.800 0.082 0.000 2.630 21 G HA2 0.600 4.556 3.960 -0.007 0.000 0.296 21 G HA3 0.600 4.556 3.960 -0.007 0.000 0.296 21 G C 0.937 175.876 174.900 0.064 0.000 1.285 21 G CA 0.264 45.410 45.100 0.077 0.000 0.958 21 G HN 1.837 nan 8.290 nan 0.000 0.479 22 G N -0.013 108.819 108.800 0.052 0.000 2.649 22 G HA2 -0.272 3.683 3.960 -0.007 0.000 0.220 22 G HA3 -0.272 3.683 3.960 -0.007 0.000 0.220 22 G C 1.718 176.600 174.900 -0.030 0.000 1.189 22 G CA 1.701 46.809 45.100 0.014 0.000 0.777 22 G HN 0.702 nan 8.290 nan 0.000 0.602 23 L N 1.412 122.613 121.223 -0.037 0.000 2.017 23 L HA 0.202 4.537 4.340 -0.007 0.000 0.208 23 L C 3.085 179.925 176.870 -0.051 0.000 1.073 23 L CA 2.313 57.105 54.840 -0.080 0.000 0.745 23 L CB -0.995 41.024 42.059 -0.065 0.000 0.894 23 L HN 0.273 nan 8.230 nan 0.000 0.432 24 A N -0.908 121.936 122.820 0.039 0.000 1.978 24 A HA -0.206 4.109 4.320 -0.007 0.000 0.220 24 A C 2.457 180.055 177.584 0.023 0.000 1.170 24 A CA 2.036 54.137 52.037 0.106 0.000 0.636 24 A CB -1.354 17.810 19.000 0.272 0.000 0.810 24 A HN 0.451 nan 8.150 nan 0.000 0.448 25 V N -0.226 119.713 119.914 0.043 0.000 2.548 25 V HA 0.006 4.122 4.120 -0.007 0.000 0.249 25 V C 2.196 178.320 176.094 0.050 0.000 1.055 25 V CA 2.324 64.656 62.300 0.053 0.000 1.065 25 V CB -0.746 31.118 31.823 0.067 0.000 0.681 25 V HN 0.476 nan 8.190 nan 0.000 0.462 26 G N 0.005 108.847 108.800 0.070 0.000 2.402 26 G HA2 -0.168 3.788 3.960 -0.007 0.000 0.216 26 G HA3 -0.168 3.788 3.960 -0.007 0.000 0.216 26 G C 1.545 176.500 174.900 0.092 0.000 1.162 26 G CA 1.145 46.363 45.100 0.197 0.000 0.777 26 G HN 0.539 nan 8.290 nan 0.000 0.539 27 I N 0.381 120.862 120.570 -0.148 0.000 2.226 27 I HA -0.099 4.067 4.170 -0.007 0.000 0.245 27 I C 2.577 178.478 176.117 -0.361 0.000 1.100 27 I CA 0.434 61.469 61.300 -0.442 0.000 1.374 27 I CB -0.106 37.284 38.000 -1.016 0.000 1.057 27 I HN 0.076 nan 8.210 nan 0.000 0.413 28 L N 0.537 121.604 121.223 -0.259 0.000 2.093 28 L HA -0.126 4.209 4.340 -0.007 0.000 0.208 28 L C 2.578 179.423 176.870 -0.041 0.000 1.085 28 L CA 2.117 56.886 54.840 -0.119 0.000 0.755 28 L CB -1.667 40.406 42.059 0.024 0.000 0.904 28 L HN 0.294 nan 8.230 nan 0.000 0.435 29 G N -0.869 107.933 108.800 0.003 0.000 2.402 29 G HA2 -0.188 3.767 3.960 -0.007 0.000 0.216 29 G HA3 -0.188 3.767 3.960 -0.007 0.000 0.216 29 G C 1.734 176.652 174.900 0.031 0.000 1.162 29 G CA 0.776 45.898 45.100 0.037 0.000 0.777 29 G HN 0.481 nan 8.290 nan 0.000 0.539 30 A N 0.463 123.309 122.820 0.044 0.000 1.930 30 A HA 0.154 4.470 4.320 -0.007 0.000 0.217 30 A C 2.388 179.984 177.584 0.020 0.000 1.175 30 A CA 1.055 53.129 52.037 0.061 0.000 0.627 30 A CB -0.340 18.775 19.000 0.191 0.000 0.815 30 A HN 0.348 nan 8.150 nan 0.000 0.443 31 L N -0.602 120.603 121.223 -0.031 0.000 2.156 31 L HA -0.116 4.219 4.340 -0.007 0.000 0.208 31 L C 2.623 179.468 176.870 -0.042 0.000 1.095 31 L CA 1.371 56.173 54.840 -0.062 0.000 0.770 31 L CB -0.295 41.670 42.059 -0.157 0.000 0.914 31 L HN 0.393 nan 8.230 nan 0.000 0.439 32 K N 0.900 121.287 120.400 -0.023 0.000 2.103 32 K HA -0.122 4.194 4.320 -0.007 0.000 0.204 32 K C 1.940 178.544 176.600 0.006 0.000 1.052 32 K CA 1.438 57.724 56.287 -0.002 0.000 0.945 32 K CB 0.088 32.599 32.500 0.018 0.000 0.722 32 K HN 0.250 nan 8.250 nan 0.000 0.443 33 A N 0.512 123.336 122.820 0.008 0.000 1.970 33 A HA 0.098 4.413 4.320 -0.007 0.000 0.216 33 A C 2.117 179.703 177.584 0.004 0.000 1.170 33 A CA 1.499 53.541 52.037 0.009 0.000 0.645 33 A CB -0.242 18.764 19.000 0.010 0.000 0.816 33 A HN 0.414 nan 8.150 nan 0.000 0.447 34 A N -1.556 121.264 122.820 0.001 0.000 2.085 34 A HA 0.495 4.810 4.320 -0.007 0.000 0.208 34 A C 1.394 178.978 177.584 0.001 0.000 1.191 34 A CA 1.071 53.109 52.037 0.001 0.000 0.799 34 A CB -0.672 18.331 19.000 0.005 0.000 0.877 34 A HN 2.064 nan 8.150 nan 0.000 0.473 35 G N -2.089 106.708 108.800 -0.005 0.000 2.764 35 G HA2 0.443 4.398 3.960 -0.007 0.000 0.686 35 G HA3 0.443 4.398 3.960 -0.007 0.000 0.686 35 G C 0.264 175.157 174.900 -0.011 0.000 1.258 35 G CA -0.111 44.983 45.100 -0.011 0.000 0.846 35 G HN 1.870 nan 8.290 nan 0.000 0.596 36 G N -0.436 108.347 108.800 -0.028 0.000 2.474 36 G HA2 0.882 4.838 3.960 -0.007 0.000 0.234 36 G HA3 0.882 4.838 3.960 -0.007 0.000 0.234 36 G C -1.267 173.620 174.900 -0.022 0.000 1.204 36 G CA 0.364 45.457 45.100 -0.013 0.000 0.939 36 G HN 2.399 nan 8.290 nan 0.000 0.491 37 L N -1.760 119.470 121.223 0.011 0.000 2.549 37 L HA 0.815 5.150 4.340 -0.007 0.000 0.259 37 L C -2.542 174.429 176.870 0.170 0.000 0.934 37 L CA -0.695 54.181 54.840 0.060 0.000 0.865 37 L CB 2.148 44.275 42.059 0.113 0.000 1.352 37 L HN 0.754 nan 8.230 nan 0.000 0.410 38 W N 6.122 127.380 121.300 -0.070 0.000 2.336 38 W HA 0.516 5.171 4.660 -0.008 0.000 0.315 38 W C -1.984 174.628 176.519 0.154 0.000 1.016 38 W CA -1.817 55.527 57.345 -0.003 0.000 1.318 38 W CB 1.370 30.727 29.460 -0.172 0.000 1.247 38 W HN 0.558 nan 8.180 nan 0.000 0.414 39 F N 5.852 126.009 119.950 0.345 0.000 2.411 39 F HA 0.775 5.297 4.527 -0.007 0.000 0.352 39 F C 0.220 176.150 175.800 0.216 0.000 1.123 39 F CA -0.061 58.085 58.000 0.243 0.000 1.044 39 F CB 0.950 40.104 39.000 0.257 0.000 1.135 39 F HN 0.413 nan 8.300 nan 0.000 0.461 40 G N 4.087 112.668 108.800 -0.365 0.000 2.559 40 G HA2 0.213 4.169 3.960 -0.007 0.000 0.291 40 G HA3 0.213 4.169 3.960 -0.007 0.000 0.291 40 G C -2.333 172.059 174.900 -0.847 0.000 1.424 40 G CA -0.951 43.951 45.100 -0.330 0.000 0.786 40 G HN 0.721 nan 8.290 nan 0.000 0.485 41 W N 0.723 121.365 121.300 -1.098 0.000 2.137 41 W HA 0.589 5.245 4.660 -0.008 0.000 0.344 41 W C 0.478 176.509 176.519 -0.813 0.000 1.286 41 W CA -0.077 56.450 57.345 -1.364 0.000 1.240 41 W CB 1.553 30.558 29.460 -0.757 0.000 1.141 41 W HN 0.497 nan 8.180 nan 0.000 0.579 42 S N 3.593 118.585 115.700 -1.180 0.000 2.395 42 S HA 0.419 4.885 4.470 -0.007 0.000 0.207 42 S C -0.228 173.567 174.600 -1.342 0.000 1.454 42 S CA -0.525 57.084 58.200 -0.985 0.000 1.211 42 S CB -0.537 62.280 63.200 -0.637 0.000 1.093 42 S HN 0.769 nan 8.310 nan 0.000 0.472 43 G N 3.078 110.809 108.800 -1.781 0.000 2.605 43 G HA2 0.402 4.357 3.960 -0.007 0.000 0.301 43 G HA3 0.402 4.357 3.960 -0.007 0.000 0.301 43 G C 0.425 174.686 174.900 -1.066 0.000 0.881 43 G CA -0.451 43.132 45.100 -2.528 0.000 1.553 43 G HN 0.850 nan 8.290 nan 0.000 0.483 44 E N 1.299 121.122 120.200 -0.628 0.000 2.744 44 E HA 0.128 4.473 4.350 -0.007 0.000 0.210 44 E C 0.742 177.293 176.600 -0.082 0.000 0.950 44 E CA 0.073 56.310 56.400 -0.273 0.000 1.282 44 E CB -0.570 28.972 29.700 -0.264 0.000 1.123 44 E HN 0.724 nan 8.360 nan 0.000 0.544 45 T N -1.634 112.946 114.554 0.043 0.000 0.541 45 T HA -0.248 4.098 4.350 -0.007 0.000 0.774 45 T C 1.256 175.980 174.700 0.040 0.000 0.992 45 T CA 2.059 64.229 62.100 0.117 0.000 4.077 45 T CB -1.429 67.520 68.868 0.135 0.000 2.303 45 T HN 1.368 nan 8.240 nan 0.000 0.398 46 G N 1.052 109.881 108.800 0.048 0.000 2.284 46 G HA2 -0.172 3.784 3.960 -0.007 0.000 0.216 46 G HA3 -0.172 3.784 3.960 -0.007 0.000 0.216 46 G C 0.155 175.066 174.900 0.019 0.000 1.009 46 G CA 0.748 45.860 45.100 0.021 0.000 0.625 46 G HN 2.289 nan 8.290 nan 0.000 0.501 47 N N 0.321 119.036 118.700 0.025 0.000 2.732 47 N HA 0.301 5.036 4.740 -0.007 0.000 0.230 47 N C 0.822 176.354 175.510 0.038 0.000 1.487 47 N CA 0.414 53.477 53.050 0.023 0.000 0.765 47 N CB 0.550 39.041 38.487 0.007 0.000 1.384 47 N HN 0.423 nan 8.380 nan 0.000 0.530 48 E N -0.408 119.825 120.200 0.055 0.000 2.253 48 E HA -0.262 4.084 4.350 -0.007 0.000 0.202 48 E C 0.144 176.778 176.600 0.057 0.000 1.014 48 E CA 1.486 57.930 56.400 0.073 0.000 0.823 48 E CB -0.099 29.639 29.700 0.062 0.000 0.736 48 E HN 0.385 nan 8.360 nan 0.000 0.478 49 D N 0.245 120.667 120.400 0.037 0.000 2.538 49 D HA 0.107 4.743 4.640 -0.007 0.000 0.234 49 D C -0.450 175.866 176.300 0.027 0.000 1.191 49 D CA 0.030 54.046 54.000 0.028 0.000 0.828 49 D CB 0.202 41.012 40.800 0.017 0.000 0.981 49 D HN 0.155 nan 8.370 nan 0.000 0.490 50 Q N 0.157 119.977 119.800 0.035 0.000 2.306 50 Q HA 0.431 4.767 4.340 -0.007 0.000 0.269 50 Q C -2.099 173.926 176.000 0.043 0.000 1.053 50 Q CA -1.883 53.938 55.803 0.030 0.000 0.879 50 Q CB 1.303 30.053 28.738 0.020 0.000 1.344 50 Q HN 0.080 nan 8.270 nan 0.000 0.464 51 P HA 0.029 nan 4.420 nan 0.000 0.272 51 P C -0.937 176.403 177.300 0.067 0.000 1.248 51 P CA -0.351 62.780 63.100 0.051 0.000 0.799 51 P CB 0.351 32.075 31.700 0.040 0.000 0.997 52 L N 0.704 121.980 121.223 0.090 0.000 2.410 52 L HA 0.150 4.486 4.340 -0.007 0.000 0.273 52 L C 0.806 177.715 176.870 0.065 0.000 1.152 52 L CA 0.056 54.961 54.840 0.109 0.000 0.855 52 L CB -0.775 41.381 42.059 0.163 0.000 1.129 52 L HN 0.278 nan 8.230 nan 0.000 0.463 53 K N 4.062 124.479 120.400 0.028 0.000 2.278 53 K HA 0.184 4.500 4.320 -0.007 0.000 0.289 53 K C 0.072 176.686 176.600 0.023 0.000 1.080 53 K CA 0.040 56.325 56.287 -0.004 0.000 0.934 53 K CB 0.476 32.938 32.500 -0.063 0.000 1.093 53 K HN 0.437 nan 8.250 nan 0.000 0.459 54 K N 1.959 122.390 120.400 0.051 0.000 2.159 54 K HA 0.412 4.727 4.320 -0.007 0.000 0.266 54 K C -0.294 176.360 176.600 0.091 0.000 0.975 54 K CA -0.732 55.612 56.287 0.094 0.000 0.865 54 K CB 1.523 34.084 32.500 0.103 0.000 1.087 54 K HN 0.318 nan 8.250 nan 0.000 0.446 55 V N -0.650 119.357 119.914 0.155 0.000 3.078 55 V HA 0.622 4.737 4.120 -0.007 0.000 0.311 55 V C -0.990 175.286 176.094 0.303 0.000 1.138 55 V CA -1.099 61.298 62.300 0.162 0.000 1.007 55 V CB 2.159 34.017 31.823 0.059 0.000 1.045 55 V HN 0.596 nan 8.190 nan 0.000 0.432 56 K N 1.532 122.084 120.400 0.254 0.000 2.482 56 K HA 0.460 4.776 4.320 -0.007 0.000 0.251 56 K C -0.192 176.576 176.600 0.279 0.000 0.936 56 K CA -0.577 55.870 56.287 0.267 0.000 0.791 56 K CB 2.886 35.477 32.500 0.152 0.000 1.213 56 K HN 0.984 nan 8.250 nan 0.000 0.428 57 K N 1.448 122.054 120.400 0.344 0.000 2.118 57 K HA 0.150 4.465 4.320 -0.007 0.000 0.214 57 K C 0.987 177.676 176.600 0.148 0.000 1.023 57 K CA 1.466 57.920 56.287 0.279 0.000 0.948 57 K CB 0.160 32.887 32.500 0.379 0.000 0.851 57 K HN 0.693 nan 8.250 nan 0.000 0.455 58 G N -0.576 108.287 108.800 0.105 0.000 4.105 58 G HA2 -0.055 3.900 3.960 -0.007 0.000 0.172 58 G HA3 -0.055 3.900 3.960 -0.007 0.000 0.172 58 G C 0.735 175.658 174.900 0.039 0.000 1.315 58 G CA -0.057 45.083 45.100 0.067 0.000 0.994 58 G HN 0.336 nan 8.290 nan 0.000 0.441 59 N N 0.203 118.917 118.700 0.022 0.000 2.270 59 N HA 0.111 4.846 4.740 -0.007 0.000 0.181 59 N C 0.779 176.268 175.510 -0.035 0.000 1.016 59 N CA 0.990 54.038 53.050 -0.003 0.000 0.870 59 N CB 0.083 38.565 38.487 -0.008 0.000 0.979 59 N HN 0.569 nan 8.380 nan 0.000 0.431 60 I N -2.612 117.910 120.570 -0.079 0.000 2.689 60 I HA 0.444 4.609 4.170 -0.007 0.000 0.299 60 I C -0.619 175.379 176.117 -0.200 0.000 1.059 60 I CA -0.801 60.382 61.300 -0.196 0.000 1.055 60 I CB 2.317 40.090 38.000 -0.378 0.000 1.243 60 I HN -0.289 nan 8.210 nan 0.000 0.425 61 T N 3.615 118.069 114.554 -0.166 0.000 2.841 61 T HA 0.441 4.786 4.350 -0.007 0.000 0.285 61 T C -0.881 173.809 174.700 -0.018 0.000 0.991 61 T CA -0.416 61.681 62.100 -0.005 0.000 0.966 61 T CB 0.873 69.799 68.868 0.097 0.000 0.962 61 T HN 0.648 nan 8.240 nan 0.000 0.438 62 W N 2.540 123.911 121.300 0.119 0.000 2.251 62 W HA 0.624 5.279 4.660 -0.008 0.000 0.329 62 W C 0.181 176.727 176.519 0.045 0.000 1.234 62 W CA -0.955 56.435 57.345 0.075 0.000 1.228 62 W CB 1.367 30.812 29.460 -0.025 0.000 1.135 62 W HN 0.981 nan 8.180 nan 0.000 0.576 63 A N 2.152 125.105 122.820 0.222 0.000 2.456 63 A HA 0.539 4.855 4.320 -0.007 0.000 0.288 63 A C -0.667 176.900 177.584 -0.028 0.000 1.042 63 A CA -0.439 51.687 52.037 0.149 0.000 0.738 63 A CB 1.389 20.555 19.000 0.277 0.000 1.266 63 A HN 0.479 nan 8.150 nan 0.000 0.407 64 S N 1.283 116.936 115.700 -0.079 0.000 2.632 64 S HA 0.980 5.446 4.470 -0.007 0.000 0.289 64 S C -0.605 173.928 174.600 -0.111 0.000 1.115 64 S CA -0.624 57.415 58.200 -0.268 0.000 0.889 64 S CB 1.499 64.480 63.200 -0.366 0.000 1.116 64 S HN 1.679 nan 8.310 nan 0.000 0.486 65 F N -0.723 119.119 119.950 -0.179 0.000 2.626 65 F HA 0.671 5.194 4.527 -0.007 0.000 0.311 65 F C -0.701 175.125 175.800 0.044 0.000 1.088 65 F CA -1.149 56.814 58.000 -0.061 0.000 0.949 65 F CB 0.828 39.799 39.000 -0.047 0.000 1.322 65 F HN 0.649 nan 8.300 nan 0.000 0.461 66 N N 0.616 119.470 118.700 0.258 0.000 2.485 66 N HA 0.752 5.488 4.740 -0.007 0.000 0.280 66 N C -1.614 174.158 175.510 0.437 0.000 1.205 66 N CA -0.971 52.257 53.050 0.296 0.000 0.959 66 N CB 2.080 40.635 38.487 0.112 0.000 1.206 66 N HN 0.420 nan 8.380 nan 0.000 0.545 67 L N 0.627 122.123 121.223 0.456 0.000 2.354 67 L HA 0.393 4.728 4.340 -0.007 0.000 0.269 67 L C 0.326 177.281 176.870 0.142 0.000 1.005 67 L CA -0.785 54.174 54.840 0.199 0.000 0.819 67 L CB 1.940 43.972 42.059 -0.044 0.000 1.311 67 L HN 0.629 nan 8.230 nan 0.000 0.423 68 S N -0.023 115.718 115.700 0.069 0.000 2.584 68 S HA 0.101 4.566 4.470 -0.007 0.000 0.270 68 S C 0.711 175.345 174.600 0.057 0.000 1.346 68 S CA -0.455 57.778 58.200 0.055 0.000 1.018 68 S CB 0.897 64.115 63.200 0.030 0.000 0.899 68 S HN 0.715 nan 8.310 nan 0.000 0.542 69 E N 0.274 120.507 120.200 0.055 0.000 2.204 69 E HA -0.205 4.141 4.350 -0.007 0.000 0.194 69 E C 2.038 178.669 176.600 0.051 0.000 0.989 69 E CA 1.011 57.446 56.400 0.057 0.000 0.824 69 E CB -0.112 29.616 29.700 0.048 0.000 0.756 69 E HN 0.823 nan 8.360 nan 0.000 0.477 70 Q N 0.833 120.656 119.800 0.040 0.000 2.083 70 Q HA -0.172 4.163 4.340 -0.007 0.000 0.198 70 Q C 1.432 177.459 176.000 0.045 0.000 0.969 70 Q CA 1.248 57.073 55.803 0.038 0.000 0.838 70 Q CB 0.207 28.960 28.738 0.024 0.000 0.900 70 Q HN 0.143 nan 8.270 nan 0.000 0.436 71 D N 0.662 121.079 120.400 0.028 0.000 2.144 71 D HA -0.152 4.484 4.640 -0.007 0.000 0.199 71 D C 1.889 178.235 176.300 0.077 0.000 0.984 71 D CA 0.608 54.620 54.000 0.020 0.000 0.834 71 D CB -0.044 40.728 40.800 -0.047 0.000 0.955 71 D HN 0.273 nan 8.370 nan 0.000 0.465 72 L N 0.791 122.043 121.223 0.049 0.000 2.044 72 L HA -0.164 4.171 4.340 -0.007 0.000 0.205 72 L C 2.054 179.003 176.870 0.131 0.000 1.075 72 L CA 1.509 56.380 54.840 0.052 0.000 0.747 72 L CB -0.282 41.791 42.059 0.024 0.000 0.903 72 L HN -0.071 nan 8.230 nan 0.000 0.435 73 D N -0.009 120.456 120.400 0.108 0.000 2.123 73 D HA -0.235 4.401 4.640 -0.007 0.000 0.196 73 D C 2.027 178.403 176.300 0.127 0.000 0.992 73 D CA 1.585 55.650 54.000 0.107 0.000 0.833 73 D CB 0.225 41.071 40.800 0.077 0.000 0.954 73 D HN 0.388 nan 8.370 nan 0.000 0.455 74 E N -1.609 118.675 120.200 0.141 0.000 2.122 74 E HA -0.080 4.265 4.350 -0.007 0.000 0.190 74 E C 1.896 178.661 176.600 0.275 0.000 0.977 74 E CA 0.238 56.735 56.400 0.162 0.000 0.820 74 E CB -0.086 29.682 29.700 0.113 0.000 0.770 74 E HN 0.456 nan 8.360 nan 0.000 0.462 75 Y N -0.639 119.754 120.300 0.156 0.000 2.130 75 Y HA -0.275 4.271 4.550 -0.007 0.000 0.287 75 Y C 2.066 178.175 175.900 0.348 0.000 1.124 75 Y CA 1.543 59.794 58.100 0.251 0.000 1.118 75 Y CB -0.031 38.489 38.460 0.100 0.000 0.994 75 Y HN 0.049 nan 8.280 nan 0.000 0.497 76 Y N 0.409 120.601 120.300 -0.180 0.000 2.314 76 Y HA 0.097 4.642 4.550 -0.007 0.000 0.294 76 Y C 1.962 177.810 175.900 -0.086 0.000 1.139 76 Y CA 1.447 59.330 58.100 -0.363 0.000 1.162 76 Y CB -0.529 37.664 38.460 -0.445 0.000 1.121 76 Y HN 0.130 nan 8.280 nan 0.000 0.529 77 N N -0.395 118.378 118.700 0.121 0.000 2.188 77 N HA -0.148 4.588 4.740 -0.007 0.000 0.184 77 N C 1.584 177.102 175.510 0.013 0.000 1.018 77 N CA 1.351 54.424 53.050 0.039 0.000 0.858 77 N CB 0.010 38.559 38.487 0.102 0.000 0.989 77 N HN 0.493 nan 8.380 nan 0.000 0.426 78 Q N -0.115 119.727 119.800 0.069 0.000 2.103 78 Q HA 0.049 4.384 4.340 -0.007 0.000 0.193 78 Q C 1.512 177.561 176.000 0.081 0.000 0.986 78 Q CA 0.571 56.421 55.803 0.078 0.000 0.834 78 Q CB -0.171 28.629 28.738 0.102 0.000 0.915 78 Q HN 0.225 nan 8.270 nan 0.000 0.483 79 F N 1.166 121.129 119.950 0.021 0.000 2.146 79 F HA -0.136 4.386 4.527 -0.007 0.000 0.298 79 F C 2.370 178.136 175.800 -0.058 0.000 1.096 79 F CA 1.229 59.216 58.000 -0.021 0.000 1.275 79 F CB 0.065 39.045 39.000 -0.032 0.000 1.008 79 F HN -0.021 nan 8.300 nan 0.000 0.480 80 S N 0.126 115.861 115.700 0.058 0.000 2.345 80 S HA -0.123 4.343 4.470 -0.007 0.000 0.219 80 S C 1.561 176.183 174.600 0.036 0.000 1.031 80 S CA 1.390 59.626 58.200 0.059 0.000 0.984 80 S CB -0.264 62.944 63.200 0.014 0.000 0.874 80 S HN 0.364 nan 8.310 nan 0.000 0.451 81 N N 0.677 119.334 118.700 -0.072 0.000 2.392 81 N HA 0.279 5.014 4.740 -0.007 0.000 0.177 81 N C 0.769 176.313 175.510 0.057 0.000 1.066 81 N CA 0.640 53.645 53.050 -0.074 0.000 0.895 81 N CB 0.238 38.546 38.487 -0.298 0.000 0.988 81 N HN 0.362 nan 8.380 nan 0.000 0.457 82 A N -0.934 121.894 122.820 0.013 0.000 2.551 82 A HA 0.384 4.699 4.320 -0.007 0.000 0.252 82 A C 1.284 178.847 177.584 -0.036 0.000 1.199 82 A CA -0.070 51.996 52.037 0.049 0.000 0.972 82 A CB 0.513 19.542 19.000 0.048 0.000 1.153 82 A HN 0.012 nan 8.150 nan 0.000 0.559 83 V N -0.714 119.082 119.914 -0.196 0.000 3.001 83 V HA 0.098 4.213 4.120 -0.007 0.000 0.228 83 V C 2.180 178.068 176.094 -0.344 0.000 1.204 83 V CA 0.769 62.871 62.300 -0.331 0.000 1.247 83 V CB -0.686 30.708 31.823 -0.714 0.000 1.093 83 V HN 0.437 nan 8.190 nan 0.000 0.504 84 L N -0.360 120.559 121.223 -0.508 0.000 2.027 84 L HA -0.156 4.179 4.340 -0.007 0.000 0.206 84 L C 2.455 179.060 176.870 -0.441 0.000 1.074 84 L CA 2.083 56.593 54.840 -0.551 0.000 0.745 84 L CB -0.510 41.206 42.059 -0.571 0.000 0.898 84 L HN 0.574 nan 8.230 nan 0.000 0.433 85 W N 2.974 124.016 121.300 -0.430 0.000 2.354 85 W HA -0.129 4.526 4.660 -0.008 0.000 0.315 85 W C -0.677 175.922 176.519 0.132 0.000 1.206 85 W CA 1.801 58.995 57.345 -0.251 0.000 1.290 85 W CB -1.453 27.906 29.460 -0.168 0.000 1.152 85 W HN 0.097 nan 8.180 nan 0.000 0.489 86 P HA -0.151 nan 4.420 nan 0.000 0.215 86 P C 1.621 178.978 177.300 0.095 0.000 1.157 86 P CA 3.045 66.305 63.100 0.266 0.000 0.863 86 P CB -0.414 31.394 31.700 0.180 0.000 0.787 87 A N -0.567 122.269 122.820 0.026 0.000 1.902 87 A HA -0.142 4.174 4.320 -0.007 0.000 0.217 87 A C 2.198 179.789 177.584 0.012 0.000 1.181 87 A CA 1.340 53.378 52.037 0.002 0.000 0.623 87 A CB -1.837 17.169 19.000 0.010 0.000 0.818 87 A HN 0.143 nan 8.150 nan 0.000 0.443 88 F N -1.451 118.306 119.950 -0.321 0.000 2.456 88 F HA -0.074 4.449 4.527 -0.008 0.000 0.298 88 F C 1.512 177.016 175.800 -0.494 0.000 1.104 88 F CA 0.659 58.387 58.000 -0.453 0.000 1.435 88 F CB -0.005 38.671 39.000 -0.540 0.000 1.078 88 F HN 0.313 nan 8.300 nan 0.000 0.546 89 H N -1.797 117.229 119.070 -0.074 0.000 2.524 89 H HA 0.149 4.700 4.556 -0.007 0.000 0.299 89 H C -0.721 174.725 175.328 0.198 0.000 1.074 89 H CA -0.205 55.848 56.048 0.008 0.000 1.115 89 H CB -0.566 29.067 29.762 -0.214 0.000 1.522 89 H HN 0.120 nan 8.280 nan 0.000 0.543 90 Y N -0.010 120.280 120.300 -0.017 0.000 3.790 90 Y HA -0.269 4.277 4.550 -0.007 0.000 0.226 90 Y C -0.047 175.838 175.900 -0.025 0.000 1.257 90 Y CA -0.029 58.049 58.100 -0.036 0.000 1.765 90 Y CB -0.962 37.462 38.460 -0.059 0.000 1.552 90 Y HN 0.330 nan 8.280 nan 0.000 0.650 91 R N 0.472 121.005 120.500 0.055 0.000 2.681 91 R HA 0.258 4.593 4.340 -0.007 0.000 0.277 91 R C 0.609 176.878 176.300 -0.051 0.000 1.563 91 R CA -0.524 55.574 56.100 -0.004 0.000 1.673 91 R CB 0.483 30.765 30.300 -0.031 0.000 1.258 91 R HN 0.171 nan 8.270 nan 0.000 0.650 92 L N 1.620 122.804 121.223 -0.065 0.000 2.131 92 L HA -0.180 4.156 4.340 -0.007 0.000 0.210 92 L C 1.999 178.826 176.870 -0.072 0.000 1.092 92 L CA 1.904 56.697 54.840 -0.079 0.000 0.759 92 L CB -0.458 41.545 42.059 -0.094 0.000 0.903 92 L HN 0.455 nan 8.230 nan 0.000 0.435 93 D N -1.591 118.765 120.400 -0.074 0.000 2.263 93 D HA -0.208 4.428 4.640 -0.007 0.000 0.208 93 D C 1.825 178.073 176.300 -0.086 0.000 0.971 93 D CA 0.751 54.707 54.000 -0.073 0.000 0.867 93 D CB -0.008 40.748 40.800 -0.074 0.000 0.929 93 D HN 0.218 nan 8.370 nan 0.000 0.492 94 L N 0.934 122.089 121.223 -0.113 0.000 2.554 94 L HA 0.160 4.496 4.340 -0.007 0.000 0.225 94 L C 0.930 177.765 176.870 -0.059 0.000 1.104 94 L CA -0.076 54.684 54.840 -0.135 0.000 0.866 94 L CB 0.123 42.005 42.059 -0.295 0.000 1.047 94 L HN 0.004 nan 8.230 nan 0.000 0.468 95 V N 0.051 119.940 119.914 -0.041 0.000 2.715 95 V HA 0.206 4.321 4.120 -0.007 0.000 0.299 95 V C 0.109 176.214 176.094 0.018 0.000 1.054 95 V CA -0.223 62.069 62.300 -0.014 0.000 1.077 95 V CB 1.138 32.942 31.823 -0.032 0.000 0.972 95 V HN 0.422 nan 8.190 nan 0.000 0.484 96 Q N 4.784 124.608 119.800 0.040 0.000 3.122 96 Q HA 0.415 4.751 4.340 -0.007 0.000 0.282 96 Q C -1.066 174.992 176.000 0.097 0.000 0.947 96 Q CA -0.268 55.571 55.803 0.060 0.000 0.812 96 Q CB 0.757 29.520 28.738 0.040 0.000 1.333 96 Q HN 0.877 nan 8.270 nan 0.000 0.430 97 F N 1.697 121.649 119.950 0.002 0.000 2.438 97 F HA 0.428 4.951 4.527 -0.008 0.000 0.356 97 F C -0.321 175.524 175.800 0.074 0.000 1.099 97 F CA 0.310 58.339 58.000 0.048 0.000 1.185 97 F CB 0.580 39.590 39.000 0.017 0.000 1.115 97 F HN 0.225 nan 8.300 nan 0.000 0.526 98 Q N 6.179 125.682 119.800 -0.495 0.000 2.315 98 Q HA 0.244 4.579 4.340 -0.007 0.000 0.273 98 Q C 0.573 176.218 176.000 -0.592 0.000 1.053 98 Q CA -0.886 54.723 55.803 -0.323 0.000 0.817 98 Q CB 2.528 31.208 28.738 -0.098 0.000 1.326 98 Q HN 0.771 nan 8.270 nan 0.000 0.423 99 R N 1.268 121.598 120.500 -0.283 0.000 2.091 99 R HA -0.116 4.220 4.340 -0.007 0.000 0.238 99 R C -0.943 175.347 176.300 -0.015 0.000 1.136 99 R CA 1.592 57.634 56.100 -0.096 0.000 0.959 99 R CB -0.854 29.527 30.300 0.134 0.000 0.856 99 R HN 0.431 nan 8.270 nan 0.000 0.437 100 P HA -0.124 nan 4.420 nan 0.000 0.218 100 P C 0.720 178.023 177.300 0.005 0.000 1.146 100 P CA 1.596 64.699 63.100 0.006 0.000 0.813 100 P CB -0.027 31.678 31.700 0.009 0.000 0.778 101 A N -1.425 121.389 122.820 -0.011 0.000 1.930 101 A HA -0.123 4.192 4.320 -0.007 0.000 0.215 101 A C 2.151 179.781 177.584 0.077 0.000 1.176 101 A CA 0.648 52.722 52.037 0.062 0.000 0.632 101 A CB -1.769 17.282 19.000 0.086 0.000 0.819 101 A HN 0.308 nan 8.150 nan 0.000 0.445 102 W N 1.193 122.335 121.300 -0.264 0.000 2.381 102 W HA -0.164 4.491 4.660 -0.008 0.000 0.301 102 W C 0.857 177.251 176.519 -0.207 0.000 1.205 102 W CA 1.662 58.725 57.345 -0.469 0.000 1.285 102 W CB -0.142 29.127 29.460 -0.318 0.000 1.133 102 W HN 0.365 nan 8.180 nan 0.000 0.521 103 D N 0.369 120.670 120.400 -0.165 0.000 2.097 103 D HA -0.141 4.495 4.640 -0.007 0.000 0.195 103 D C 2.387 178.557 176.300 -0.216 0.000 0.989 103 D CA 2.116 55.968 54.000 -0.248 0.000 0.827 103 D CB -1.129 39.626 40.800 -0.076 0.000 0.966 103 D HN 0.303 nan 8.370 nan 0.000 0.456 104 G N -0.251 108.497 108.800 -0.087 0.000 2.450 104 G HA2 -0.318 3.638 3.960 -0.007 0.000 0.220 104 G HA3 -0.318 3.638 3.960 -0.007 0.000 0.220 104 G C 1.589 176.489 174.900 0.000 0.000 1.130 104 G CA 0.645 45.730 45.100 -0.025 0.000 0.760 104 G HN 0.267 nan 8.290 nan 0.000 0.557 105 Y N 1.082 121.290 120.300 -0.152 0.000 2.145 105 Y HA -0.040 4.505 4.550 -0.007 0.000 0.286 105 Y C 2.577 178.325 175.900 -0.254 0.000 1.145 105 Y CA 1.374 59.410 58.100 -0.106 0.000 1.148 105 Y CB -0.222 38.032 38.460 -0.343 0.000 0.981 105 Y HN 0.121 nan 8.280 nan 0.000 0.507 106 L N -0.404 120.552 121.223 -0.445 0.000 2.109 106 L HA -0.163 4.173 4.340 -0.007 0.000 0.207 106 L C 2.672 179.350 176.870 -0.320 0.000 1.086 106 L CA 1.513 56.062 54.840 -0.485 0.000 0.760 106 L CB -0.545 41.154 42.059 -0.600 0.000 0.910 106 L HN 0.122 nan 8.230 nan 0.000 0.437 107 R N -0.020 120.326 120.500 -0.257 0.000 2.075 107 R HA -0.154 4.182 4.340 -0.007 0.000 0.232 107 R C 2.306 178.482 176.300 -0.208 0.000 1.126 107 R CA 1.506 57.491 56.100 -0.190 0.000 0.963 107 R CB -0.204 30.011 30.300 -0.141 0.000 0.858 107 R HN 0.218 nan 8.270 nan 0.000 0.435 108 V N 1.214 120.968 119.914 -0.267 0.000 2.379 108 V HA -0.159 3.956 4.120 -0.007 0.000 0.245 108 V C 1.617 177.501 176.094 -0.350 0.000 1.044 108 V CA 1.773 63.844 62.300 -0.382 0.000 1.036 108 V CB -0.433 30.984 31.823 -0.676 0.000 0.664 108 V HN 0.441 nan 8.190 nan 0.000 0.453 109 N N 0.415 118.924 118.700 -0.317 0.000 2.205 109 N HA -0.154 4.582 4.740 -0.007 0.000 0.186 109 N C 1.821 177.320 175.510 -0.019 0.000 1.015 109 N CA 1.606 54.591 53.050 -0.108 0.000 0.862 109 N CB -0.144 38.259 38.487 -0.141 0.000 0.986 109 N HN 0.609 nan 8.380 nan 0.000 0.429 110 A N 1.447 124.193 122.820 -0.123 0.000 1.929 110 A HA -0.001 4.315 4.320 -0.007 0.000 0.216 110 A C 2.350 179.873 177.584 -0.102 0.000 1.176 110 A CA 0.496 52.465 52.037 -0.113 0.000 0.628 110 A CB -0.512 18.411 19.000 -0.128 0.000 0.816 110 A HN 0.137 nan 8.150 nan 0.000 0.444 111 L N -0.983 120.164 121.223 -0.127 0.000 1.989 111 L HA -0.220 4.115 4.340 -0.007 0.000 0.211 111 L C 2.536 179.329 176.870 -0.129 0.000 1.071 111 L CA 1.399 56.157 54.840 -0.136 0.000 0.749 111 L CB -0.637 41.315 42.059 -0.177 0.000 0.890 111 L HN 0.329 nan 8.230 nan 0.000 0.431 112 L N -0.155 120.999 121.223 -0.116 0.000 2.079 112 L HA -0.192 4.143 4.340 -0.007 0.000 0.210 112 L C 2.707 179.701 176.870 0.207 0.000 1.081 112 L CA 2.007 56.847 54.840 -0.001 0.000 0.752 112 L CB -1.015 41.098 42.059 0.090 0.000 0.896 112 L HN 0.203 nan 8.230 nan 0.000 0.433 113 A N -1.243 121.686 122.820 0.182 0.000 1.929 113 A HA -0.175 4.141 4.320 -0.007 0.000 0.216 113 A C 2.043 179.548 177.584 -0.132 0.000 1.176 113 A CA 1.559 53.535 52.037 -0.103 0.000 0.628 113 A CB -0.491 18.295 19.000 -0.357 0.000 0.816 113 A HN 0.393 nan 8.150 nan 0.000 0.444 114 D N -0.021 120.321 120.400 -0.097 0.000 2.117 114 D HA -0.114 4.521 4.640 -0.007 0.000 0.197 114 D C 1.718 177.976 176.300 -0.071 0.000 0.987 114 D CA 1.299 55.247 54.000 -0.087 0.000 0.829 114 D CB -0.155 40.601 40.800 -0.074 0.000 0.961 114 D HN 0.487 nan 8.370 nan 0.000 0.460 115 K N 0.099 120.467 120.400 -0.053 0.000 2.365 115 K HA 0.096 4.411 4.320 -0.007 0.000 0.197 115 K C 1.992 178.550 176.600 -0.070 0.000 1.042 115 K CA 0.004 56.296 56.287 0.008 0.000 0.987 115 K CB 0.465 33.014 32.500 0.081 0.000 0.779 115 K HN 0.110 nan 8.250 nan 0.000 0.484 116 L N 0.900 121.957 121.223 -0.278 0.000 2.354 116 L HA 0.010 4.346 4.340 -0.007 0.000 0.212 116 L C 1.923 178.651 176.870 -0.236 0.000 1.091 116 L CA 0.193 54.719 54.840 -0.522 0.000 0.828 116 L CB 0.025 41.740 42.059 -0.574 0.000 0.973 116 L HN 0.214 nan 8.230 nan 0.000 0.461 117 L N 1.470 122.595 121.223 -0.164 0.000 1.978 117 L HA -0.183 4.152 4.340 -0.007 0.000 0.218 117 L C -0.295 176.529 176.870 -0.076 0.000 1.075 117 L CA 2.526 57.296 54.840 -0.116 0.000 0.767 117 L CB -2.157 39.839 42.059 -0.104 0.000 0.890 117 L HN 0.173 nan 8.230 nan 0.000 0.434 118 P HA -0.122 nan 4.420 nan 0.000 0.218 118 P C 1.903 179.197 177.300 -0.010 0.000 1.149 118 P CA 0.696 63.782 63.100 -0.023 0.000 0.817 118 P CB 0.039 31.736 31.700 -0.006 0.000 0.785 119 L N -1.571 119.644 121.223 -0.014 0.000 2.275 119 L HA -0.009 4.327 4.340 -0.007 0.000 0.215 119 L C 1.254 178.127 176.870 0.006 0.000 1.119 119 L CA 0.876 55.724 54.840 0.013 0.000 0.790 119 L CB -1.555 40.523 42.059 0.031 0.000 0.919 119 L HN 0.034 nan 8.230 nan 0.000 0.443 120 L N -0.154 121.058 121.223 -0.019 0.000 2.452 120 L HA 0.110 4.445 4.340 -0.007 0.000 0.267 120 L C 0.246 177.115 176.870 -0.002 0.000 1.188 120 L CA 0.059 54.894 54.840 -0.008 0.000 0.821 120 L CB 0.438 42.481 42.059 -0.025 0.000 1.102 120 L HN 0.192 nan 8.230 nan 0.000 0.470 121 Q N 0.385 120.189 119.800 0.007 0.000 2.458 121 Q HA 0.212 4.548 4.340 -0.007 0.000 0.282 121 Q C -0.167 175.836 176.000 0.005 0.000 1.106 121 Q CA -0.913 54.893 55.803 0.006 0.000 0.814 121 Q CB 2.166 30.911 28.738 0.012 0.000 1.425 121 Q HN 0.440 nan 8.270 nan 0.000 0.437 122 D N 0.746 121.147 120.400 0.001 0.000 2.084 122 D HA -0.161 4.475 4.640 -0.007 0.000 0.194 122 D C 0.823 177.125 176.300 0.003 0.000 0.990 122 D CA 1.617 55.617 54.000 -0.001 0.000 0.826 122 D CB 0.162 40.960 40.800 -0.003 0.000 0.971 122 D HN 0.578 nan 8.370 nan 0.000 0.453 123 D N 0.590 120.994 120.400 0.005 0.000 2.328 123 D HA -0.042 4.593 4.640 -0.007 0.000 0.226 123 D C -0.478 175.829 176.300 0.012 0.000 1.066 123 D CA -0.203 53.800 54.000 0.006 0.000 0.861 123 D CB -0.085 40.718 40.800 0.004 0.000 0.912 123 D HN -0.051 nan 8.370 nan 0.000 0.521 124 D N -0.131 120.280 120.400 0.019 0.000 2.429 124 D HA 0.012 4.648 4.640 -0.007 0.000 0.233 124 D C 0.053 176.375 176.300 0.036 0.000 1.202 124 D CA 0.466 54.485 54.000 0.032 0.000 0.879 124 D CB 0.542 41.367 40.800 0.042 0.000 1.212 124 D HN 0.074 nan 8.370 nan 0.000 0.465 125 I N 1.027 121.629 120.570 0.052 0.000 2.530 125 I HA 0.387 4.553 4.170 -0.007 0.000 0.297 125 I C -0.284 175.911 176.117 0.130 0.000 1.011 125 I CA -0.426 60.915 61.300 0.068 0.000 1.107 125 I CB 1.580 39.601 38.000 0.035 0.000 1.285 125 I HN 0.200 nan 8.210 nan 0.000 0.436 126 I N 4.696 125.375 120.570 0.182 0.000 2.498 126 I HA 0.329 4.495 4.170 -0.007 0.000 0.290 126 I C -1.572 174.795 176.117 0.417 0.000 1.032 126 I CA -0.507 60.959 61.300 0.277 0.000 1.073 126 I CB 1.920 40.070 38.000 0.250 0.000 1.251 126 I HN 0.506 nan 8.210 nan 0.000 0.426 127 W N 8.388 129.822 121.300 0.223 0.000 2.463 127 W HA 0.552 5.207 4.660 -0.008 0.000 0.316 127 W C -1.684 174.954 176.519 0.199 0.000 1.004 127 W CA -1.070 56.391 57.345 0.194 0.000 1.309 127 W CB 0.999 30.519 29.460 0.101 0.000 1.288 127 W HN 0.123 nan 8.180 nan 0.000 0.423 128 I N 5.942 126.802 120.570 0.483 0.000 2.437 128 I HA 0.264 4.430 4.170 -0.007 0.000 0.298 128 I C 0.175 176.284 176.117 -0.014 0.000 0.984 128 I CA -0.818 60.705 61.300 0.372 0.000 1.214 128 I CB 1.191 39.623 38.000 0.721 0.000 1.365 128 I HN 0.314 nan 8.210 nan 0.000 0.469 129 H N 4.353 123.496 119.070 0.122 0.000 2.587 129 H HA 0.351 4.902 4.556 -0.008 0.000 0.325 129 H C -0.677 174.757 175.328 0.176 0.000 1.012 129 H CA -0.298 55.783 56.048 0.055 0.000 1.213 129 H CB 1.669 31.448 29.762 0.028 0.000 1.431 129 H HN 0.587 nan 8.280 nan 0.000 0.492 130 D N 0.711 121.195 120.400 0.141 0.000 10.696 130 D HA -0.232 4.403 4.640 -0.007 0.000 0.353 130 D C 0.881 177.488 176.300 0.512 0.000 3.125 130 D CA 0.614 54.822 54.000 0.346 0.000 2.612 130 D CB -0.294 40.707 40.800 0.336 0.000 1.223 130 D HN 0.683 nan 8.370 nan 0.000 0.947 131 Y N 0.288 120.824 120.300 0.394 0.000 2.465 131 Y HA -0.082 4.464 4.550 -0.007 0.000 0.289 131 Y C 2.010 178.101 175.900 0.318 0.000 1.150 131 Y CA 2.136 60.406 58.100 0.284 0.000 1.293 131 Y CB -0.941 37.475 38.460 -0.073 0.000 0.977 131 Y HN 0.503 nan 8.280 nan 0.000 0.556 132 H N 0.455 119.488 119.070 -0.062 0.000 2.521 132 H HA 0.096 4.647 4.556 -0.008 0.000 0.286 132 H C 0.709 176.275 175.328 0.397 0.000 1.034 132 H CA 1.531 57.703 56.048 0.206 0.000 1.278 132 H CB -0.123 29.666 29.762 0.045 0.000 1.386 132 H HN 0.420 nan 8.280 nan 0.000 0.567 133 L N 0.337 121.860 121.223 0.500 0.000 3.288 133 L HA 0.173 4.508 4.340 -0.007 0.000 0.293 133 L C 0.759 177.908 176.870 0.465 0.000 1.294 133 L CA -0.082 55.010 54.840 0.421 0.000 1.006 133 L CB 0.448 42.724 42.059 0.363 0.000 1.407 133 L HN 0.195 nan 8.230 nan 0.000 0.592 134 L N 0.936 122.433 121.223 0.456 0.000 2.021 134 L HA -0.168 4.167 4.340 -0.007 0.000 0.215 134 L C -0.468 176.594 176.870 0.320 0.000 1.074 134 L CA 1.690 56.714 54.840 0.307 0.000 0.760 134 L CB -1.436 40.929 42.059 0.510 0.000 0.889 134 L HN 0.349 nan 8.230 nan 0.000 0.433 135 P HA -0.074 nan 4.420 nan 0.000 0.249 135 P C 1.166 178.556 177.300 0.149 0.000 1.229 135 P CA 0.481 63.679 63.100 0.163 0.000 0.788 135 P CB -0.030 31.676 31.700 0.011 0.000 1.072 136 F N 1.576 121.574 119.950 0.080 0.000 2.206 136 F HA 0.004 4.527 4.527 -0.007 0.000 0.298 136 F C 2.226 177.991 175.800 -0.059 0.000 1.090 136 F CA 1.166 59.198 58.000 0.053 0.000 1.323 136 F CB -0.674 38.444 39.000 0.196 0.000 1.028 136 F HN -0.065 nan 8.300 nan 0.000 0.492 137 A N -0.641 122.019 122.820 -0.267 0.000 1.898 137 A HA -0.243 4.073 4.320 -0.007 0.000 0.216 137 A C 2.351 179.715 177.584 -0.367 0.000 1.181 137 A CA 1.707 53.401 52.037 -0.571 0.000 0.620 137 A CB -1.401 16.739 19.000 -1.434 0.000 0.819 137 A HN 0.594 nan 8.150 nan 0.000 0.442 138 H N 0.047 118.927 119.070 -0.316 0.000 2.319 138 H HA -0.138 4.414 4.556 -0.007 0.000 0.297 138 H C 1.714 176.912 175.328 -0.217 0.000 1.097 138 H CA 1.997 57.923 56.048 -0.202 0.000 1.285 138 H CB 0.046 29.738 29.762 -0.117 0.000 1.368 138 H HN 0.421 nan 8.280 nan 0.000 0.495 139 E N 0.559 120.701 120.200 -0.097 0.000 2.152 139 E HA -0.073 4.273 4.350 -0.007 0.000 0.192 139 E C 2.786 179.203 176.600 -0.305 0.000 0.983 139 E CA 0.254 56.550 56.400 -0.174 0.000 0.818 139 E CB -0.117 29.446 29.700 -0.229 0.000 0.758 139 E HN 0.517 nan 8.360 nan 0.000 0.467 140 L N 0.607 121.580 121.223 -0.416 0.000 2.044 140 L HA -0.122 4.214 4.340 -0.007 0.000 0.205 140 L C 2.428 179.146 176.870 -0.253 0.000 1.075 140 L CA 0.834 55.455 54.840 -0.364 0.000 0.747 140 L CB -0.319 41.504 42.059 -0.393 0.000 0.903 140 L HN -0.005 nan 8.230 nan 0.000 0.435 141 R N 0.617 120.961 120.500 -0.259 0.000 2.127 141 R HA -0.160 4.175 4.340 -0.007 0.000 0.238 141 R C 2.086 178.258 176.300 -0.213 0.000 1.134 141 R CA 1.152 57.119 56.100 -0.223 0.000 0.975 141 R CB -0.589 29.561 30.300 -0.249 0.000 0.865 141 R HN 0.343 nan 8.270 nan 0.000 0.447 142 K N 0.309 120.563 120.400 -0.243 0.000 2.211 142 K HA -0.038 4.277 4.320 -0.007 0.000 0.203 142 K C 1.741 178.260 176.600 -0.135 0.000 1.050 142 K CA 0.969 57.145 56.287 -0.184 0.000 0.945 142 K CB 0.067 32.473 32.500 -0.155 0.000 0.732 142 K HN 0.030 nan 8.250 nan 0.000 0.451 143 R N -1.022 119.391 120.500 -0.145 0.000 2.334 143 R HA 0.094 4.430 4.340 -0.007 0.000 0.220 143 R C 0.618 176.855 176.300 -0.105 0.000 0.917 143 R CA 0.521 56.548 56.100 -0.121 0.000 1.073 143 R CB 0.793 31.009 30.300 -0.141 0.000 1.056 143 R HN 0.319 nan 8.270 nan 0.000 0.506 144 G N 0.823 109.559 108.800 -0.107 0.000 2.157 144 G HA2 -0.263 3.692 3.960 -0.007 0.000 0.239 144 G HA3 -0.263 3.692 3.960 -0.007 0.000 0.239 144 G C 0.054 174.907 174.900 -0.079 0.000 0.982 144 G CA 0.137 45.187 45.100 -0.084 0.000 0.650 144 G HN 0.295 nan 8.290 nan 0.000 0.527 145 V N 0.047 119.903 119.914 -0.096 0.000 2.427 145 V HA 0.591 4.706 4.120 -0.007 0.000 0.268 145 V C 0.988 177.041 176.094 -0.068 0.000 1.046 145 V CA 0.085 62.337 62.300 -0.079 0.000 0.970 145 V CB 0.972 32.740 31.823 -0.091 0.000 1.001 145 V HN 0.160 nan 8.190 nan 0.000 0.476 146 N N 4.763 123.437 118.700 -0.044 0.000 2.398 146 N HA 0.085 4.821 4.740 -0.007 0.000 0.188 146 N C 0.587 176.091 175.510 -0.011 0.000 1.122 146 N CA 0.230 53.262 53.050 -0.029 0.000 0.866 146 N CB -0.277 38.197 38.487 -0.021 0.000 0.970 146 N HN 0.760 nan 8.380 nan 0.000 0.462 147 N N 1.214 119.909 118.700 -0.007 0.000 2.344 147 N HA 0.012 4.747 4.740 -0.007 0.000 0.236 147 N C -0.015 175.516 175.510 0.034 0.000 1.279 147 N CA 0.182 53.240 53.050 0.014 0.000 0.882 147 N CB 0.706 39.208 38.487 0.025 0.000 1.110 147 N HN -0.020 nan 8.380 nan 0.000 0.436 148 R N 1.596 122.118 120.500 0.037 0.000 2.446 148 R HA 0.162 4.497 4.340 -0.007 0.000 0.325 148 R C -0.281 176.078 176.300 0.098 0.000 0.997 148 R CA 0.499 56.627 56.100 0.047 0.000 1.010 148 R CB -0.143 30.164 30.300 0.012 0.000 0.946 148 R HN 0.393 nan 8.270 nan 0.000 0.422 149 I N 1.838 122.498 120.570 0.150 0.000 2.406 149 I HA 0.411 4.576 4.170 -0.007 0.000 0.290 149 I C 0.677 177.023 176.117 0.382 0.000 0.999 149 I CA -0.805 60.663 61.300 0.280 0.000 1.124 149 I CB 2.115 40.278 38.000 0.273 0.000 1.289 149 I HN 0.595 nan 8.210 nan 0.000 0.441 150 G N 4.645 113.692 108.800 0.412 0.000 2.454 150 G HA2 0.695 4.650 3.960 -0.007 0.000 0.329 150 G HA3 0.695 4.650 3.960 -0.007 0.000 0.329 150 G C -1.810 173.439 174.900 0.581 0.000 1.177 150 G CA -0.376 44.971 45.100 0.412 0.000 0.951 150 G HN 0.404 nan 8.290 nan 0.000 0.485 151 F N 0.603 120.649 119.950 0.160 0.000 2.540 151 F HA 0.758 5.281 4.527 -0.007 0.000 0.317 151 F C -1.695 174.146 175.800 0.068 0.000 1.104 151 F CA -1.941 55.954 58.000 -0.175 0.000 0.913 151 F CB 2.174 40.539 39.000 -1.057 0.000 1.170 151 F HN 0.373 nan 8.300 nan 0.000 0.450 152 F N 7.268 126.679 119.950 -0.898 0.000 2.507 152 F HA 0.545 5.067 4.527 -0.008 0.000 0.325 152 F C -1.780 173.457 175.800 -0.938 0.000 1.116 152 F CA -0.853 56.705 58.000 -0.736 0.000 0.930 152 F CB 1.265 39.992 39.000 -0.455 0.000 1.146 152 F HN 0.423 nan 8.300 nan 0.000 0.447 153 L N 7.136 127.552 121.223 -1.344 0.000 2.265 153 L HA 0.294 4.630 4.340 -0.007 0.000 0.289 153 L C 0.525 177.062 176.870 -0.555 0.000 1.033 153 L CA -0.307 54.176 54.840 -0.595 0.000 0.814 153 L CB 0.929 42.899 42.059 -0.148 0.000 1.203 153 L HN 0.823 nan 8.230 nan 0.000 0.423 154 H N 5.370 124.446 119.070 0.010 0.000 2.535 154 H HA 0.081 4.632 4.556 -0.008 0.000 0.273 154 H C 0.515 175.978 175.328 0.224 0.000 0.983 154 H CA 0.545 56.740 56.048 0.244 0.000 1.238 154 H CB 0.772 30.765 29.762 0.384 0.000 1.412 154 H HN 0.584 nan 8.280 nan 0.000 0.562 155 I N -1.290 119.456 120.570 0.294 0.000 3.076 155 I HA 0.482 4.647 4.170 -0.007 0.000 0.313 155 I C -2.705 173.474 176.117 0.103 0.000 1.053 155 I CA -2.836 58.545 61.300 0.135 0.000 1.048 155 I CB 1.267 39.226 38.000 -0.067 0.000 1.264 155 I HN -0.327 nan 8.210 nan 0.000 0.498 156 P HA 0.122 nan 4.420 nan 0.000 0.269 156 P C -1.322 176.010 177.300 0.052 0.000 1.215 156 P CA 0.265 63.393 63.100 0.046 0.000 0.780 156 P CB 0.231 31.927 31.700 -0.007 0.000 0.898 157 F N 4.051 123.987 119.950 -0.023 0.000 2.415 157 F HA 0.418 4.940 4.527 -0.008 0.000 0.348 157 F C -2.027 173.610 175.800 -0.271 0.000 1.119 157 F CA -2.451 55.402 58.000 -0.245 0.000 1.069 157 F CB 1.275 40.241 39.000 -0.056 0.000 1.124 157 F HN 0.212 nan 8.300 nan 0.000 0.472 158 P HA 0.145 nan 4.420 nan 0.000 0.277 158 P C -0.676 176.560 177.300 -0.107 0.000 1.240 158 P CA -0.315 62.532 63.100 -0.421 0.000 0.798 158 P CB 0.939 32.184 31.700 -0.758 0.000 0.979 159 T N -0.025 114.524 114.554 -0.009 0.000 2.795 159 T HA 0.091 4.437 4.350 -0.007 0.000 0.314 159 T C -1.695 173.007 174.700 0.004 0.000 1.069 159 T CA -1.095 61.029 62.100 0.040 0.000 1.071 159 T CB -0.836 68.085 68.868 0.088 0.000 0.988 159 T HN 0.229 nan 8.240 nan 0.000 0.543 160 P HA -0.146 nan 4.420 nan 0.000 0.216 160 P C 1.661 178.944 177.300 -0.028 0.000 1.154 160 P CA 1.045 64.165 63.100 0.034 0.000 0.865 160 P CB 0.029 31.731 31.700 0.004 0.000 0.789 161 E N -1.280 118.894 120.200 -0.044 0.000 2.204 161 E HA -0.141 4.204 4.350 -0.007 0.000 0.195 161 E C 1.804 178.337 176.600 -0.112 0.000 0.990 161 E CA 1.014 57.371 56.400 -0.072 0.000 0.821 161 E CB -0.475 29.200 29.700 -0.043 0.000 0.750 161 E HN 0.290 nan 8.360 nan 0.000 0.477 162 I N -0.602 119.884 120.570 -0.139 0.000 2.512 162 I HA -0.106 4.059 4.170 -0.007 0.000 0.247 162 I C 2.014 178.013 176.117 -0.196 0.000 1.094 162 I CA 0.354 61.521 61.300 -0.222 0.000 1.427 162 I CB -0.633 37.101 38.000 -0.443 0.000 1.149 162 I HN -0.022 nan 8.210 nan 0.000 0.438 163 F N 1.978 121.749 119.950 -0.298 0.000 2.171 163 F HA -0.215 4.307 4.527 -0.008 0.000 0.300 163 F C 2.075 177.742 175.800 -0.221 0.000 1.090 163 F CA 1.521 59.374 58.000 -0.245 0.000 1.293 163 F CB -0.330 38.566 39.000 -0.172 0.000 1.013 163 F HN 0.115 nan 8.300 nan 0.000 0.486 164 N N 0.494 119.028 118.700 -0.278 0.000 2.512 164 N HA -0.014 4.721 4.740 -0.007 0.000 0.183 164 N C 1.829 176.962 175.510 -0.628 0.000 1.073 164 N CA 0.889 53.506 53.050 -0.722 0.000 0.911 164 N CB -0.496 37.635 38.487 -0.594 0.000 0.964 164 N HN 0.395 nan 8.380 nan 0.000 0.447 165 A N 0.270 122.851 122.820 -0.398 0.000 2.015 165 A HA -0.019 4.297 4.320 -0.007 0.000 0.219 165 A C 0.607 177.991 177.584 -0.333 0.000 1.163 165 A CA 0.354 52.203 52.037 -0.313 0.000 0.646 165 A CB -0.292 18.570 19.000 -0.231 0.000 0.806 165 A HN 0.109 nan 8.150 nan 0.000 0.448 166 L N 0.295 121.283 121.223 -0.391 0.000 2.559 166 L HA 0.122 4.457 4.340 -0.007 0.000 0.274 166 L C -1.440 175.217 176.870 -0.356 0.000 1.205 166 L CA -1.226 53.389 54.840 -0.375 0.000 0.907 166 L CB 0.220 42.033 42.059 -0.410 0.000 1.153 166 L HN 0.065 nan 8.230 nan 0.000 0.490 167 P HA -0.102 nan 4.420 nan 0.000 0.223 167 P C 0.976 178.023 177.300 -0.421 0.000 1.144 167 P CA 1.002 63.761 63.100 -0.568 0.000 0.783 167 P CB 0.312 31.334 31.700 -1.131 0.000 0.771 168 T N -2.117 112.162 114.554 -0.459 0.000 3.296 168 T HA 0.117 4.463 4.350 -0.007 0.000 0.285 168 T C 1.079 175.602 174.700 -0.296 0.000 1.014 168 T CA -0.642 61.146 62.100 -0.520 0.000 0.920 168 T CB -0.790 67.344 68.868 -1.225 0.000 1.143 168 T HN 0.078 nan 8.240 nan 0.000 0.522 169 Y N 1.031 121.151 120.300 -0.300 0.000 2.207 169 Y HA -0.113 4.432 4.550 -0.007 0.000 0.287 169 Y C 1.903 177.894 175.900 0.151 0.000 1.156 169 Y CA 1.756 59.721 58.100 -0.225 0.000 1.182 169 Y CB -0.453 37.737 38.460 -0.449 0.000 0.979 169 Y HN 0.288 nan 8.280 nan 0.000 0.521 170 D N -0.333 119.496 120.400 -0.951 0.000 2.144 170 D HA -0.149 4.487 4.640 -0.007 0.000 0.200 170 D C 1.673 177.885 176.300 -0.146 0.000 0.978 170 D CA 1.739 55.373 54.000 -0.608 0.000 0.833 170 D CB -1.013 39.375 40.800 -0.687 0.000 0.961 170 D HN 0.451 nan 8.370 nan 0.000 0.470 171 T N 0.699 115.196 114.554 -0.094 0.000 2.777 171 T HA -0.041 4.305 4.350 -0.007 0.000 0.266 171 T C 1.820 176.639 174.700 0.199 0.000 1.040 171 T CA 0.338 62.468 62.100 0.049 0.000 1.141 171 T CB -0.190 68.781 68.868 0.172 0.000 0.868 171 T HN 0.002 nan 8.240 nan 0.000 0.444 172 L N 0.828 122.247 121.223 0.325 0.000 2.079 172 L HA -0.009 4.327 4.340 -0.007 0.000 0.210 172 L C 2.160 179.334 176.870 0.507 0.000 1.081 172 L CA 1.345 56.489 54.840 0.507 0.000 0.752 172 L CB -1.144 41.303 42.059 0.647 0.000 0.896 172 L HN 0.210 nan 8.230 nan 0.000 0.433 173 L N -0.725 120.801 121.223 0.504 0.000 2.056 173 L HA -0.154 4.181 4.340 -0.007 0.000 0.207 173 L C 2.505 179.622 176.870 0.411 0.000 1.078 173 L CA 1.431 56.581 54.840 0.516 0.000 0.749 173 L CB -0.923 41.446 42.059 0.517 0.000 0.901 173 L HN 0.355 nan 8.230 nan 0.000 0.433 174 E N -0.957 119.351 120.200 0.180 0.000 2.085 174 E HA -0.269 4.077 4.350 -0.007 0.000 0.194 174 E C 2.104 178.760 176.600 0.093 0.000 0.994 174 E CA 1.306 57.635 56.400 -0.118 0.000 0.801 174 E CB -0.096 29.359 29.700 -0.409 0.000 0.743 174 E HN 0.592 nan 8.360 nan 0.000 0.453 175 Q N 0.155 120.045 119.800 0.149 0.000 2.230 175 Q HA -0.060 4.276 4.340 -0.007 0.000 0.202 175 Q C 2.220 178.339 176.000 0.199 0.000 0.963 175 Q CA 0.653 56.568 55.803 0.187 0.000 0.866 175 Q CB 0.079 28.894 28.738 0.129 0.000 0.931 175 Q HN 0.293 nan 8.270 nan 0.000 0.452 176 L N -0.501 120.881 121.223 0.264 0.000 2.217 176 L HA -0.139 4.196 4.340 -0.007 0.000 0.211 176 L C 1.933 178.919 176.870 0.193 0.000 1.107 176 L CA 0.378 55.380 54.840 0.270 0.000 0.783 176 L CB -0.093 42.117 42.059 0.251 0.000 0.919 176 L HN 0.324 nan 8.230 nan 0.000 0.442 177 C N -0.223 119.164 119.300 0.146 0.000 2.511 177 C HA -0.058 4.398 4.460 -0.007 0.000 0.277 177 C C 1.918 176.983 174.990 0.125 0.000 1.451 177 C CA 0.023 59.033 59.018 -0.012 0.000 1.735 177 C CB -1.103 26.747 27.740 0.182 0.000 1.704 177 C HN 0.476 nan 8.230 nan 0.000 0.571 178 D N -0.600 119.853 120.400 0.088 0.000 2.317 178 D HA 0.027 4.663 4.640 -0.007 0.000 0.211 178 D C 0.485 176.760 176.300 -0.041 0.000 0.966 178 D CA 0.521 54.518 54.000 -0.004 0.000 0.876 178 D CB -0.109 40.625 40.800 -0.110 0.000 0.927 178 D HN 0.449 nan 8.370 nan 0.000 0.519 179 Y N 1.394 121.744 120.300 0.085 0.000 2.480 179 Y HA -0.013 4.533 4.550 -0.007 0.000 0.338 179 Y C 1.741 177.745 175.900 0.173 0.000 1.220 179 Y CA 0.139 58.314 58.100 0.124 0.000 1.430 179 Y CB 0.622 39.157 38.460 0.126 0.000 1.311 179 Y HN -0.134 nan 8.280 nan 0.000 0.575 180 D N 1.014 121.609 120.400 0.324 0.000 2.213 180 D HA -0.009 4.626 4.640 -0.007 0.000 0.205 180 D C -0.269 176.193 176.300 0.270 0.000 0.961 180 D CA 1.071 55.227 54.000 0.261 0.000 0.853 180 D CB 0.382 41.273 40.800 0.150 0.000 0.967 180 D HN 0.203 nan 8.370 nan 0.000 0.496 181 L N 1.152 122.524 121.223 0.248 0.000 2.438 181 L HA 0.315 4.651 4.340 -0.007 0.000 0.270 181 L C -1.870 175.119 176.870 0.199 0.000 0.972 181 L CA -0.577 54.359 54.840 0.160 0.000 0.831 181 L CB 2.063 44.053 42.059 -0.115 0.000 1.273 181 L HN -0.291 nan 8.230 nan 0.000 0.405 182 L N 4.805 126.163 121.223 0.226 0.000 2.325 182 L HA 0.721 5.056 4.340 -0.007 0.000 0.281 182 L C 0.401 177.337 176.870 0.110 0.000 1.004 182 L CA -0.296 54.589 54.840 0.075 0.000 0.823 182 L CB 1.057 43.089 42.059 -0.045 0.000 1.236 182 L HN 0.793 nan 8.230 nan 0.000 0.415 183 G N 2.730 111.567 108.800 0.063 0.000 2.379 183 G HA2 0.703 4.659 3.960 -0.007 0.000 0.327 183 G HA3 0.703 4.659 3.960 -0.007 0.000 0.327 183 G C -1.245 173.471 174.900 -0.306 0.000 1.145 183 G CA -0.167 45.200 45.100 0.444 0.000 0.905 183 G HN 0.292 nan 8.290 nan 0.000 0.466 184 F N -0.546 119.544 119.950 0.234 0.000 2.620 184 F HA 0.379 4.901 4.527 -0.008 0.000 0.320 184 F C 1.385 177.299 175.800 0.191 0.000 1.069 184 F CA -0.955 57.019 58.000 -0.044 0.000 0.953 184 F CB 2.264 41.288 39.000 0.039 0.000 1.322 184 F HN 0.298 nan 8.300 nan 0.000 0.479 185 Q N 0.075 120.058 119.800 0.305 0.000 2.123 185 Q HA 0.003 4.339 4.340 -0.007 0.000 0.199 185 Q C 0.614 176.805 176.000 0.319 0.000 0.966 185 Q CA 1.406 57.448 55.803 0.399 0.000 0.845 185 Q CB -0.003 28.908 28.738 0.289 0.000 0.907 185 Q HN 0.809 nan 8.270 nan 0.000 0.439 186 T N -3.630 111.075 114.554 0.252 0.000 2.883 186 T HA 0.324 4.669 4.350 -0.007 0.000 0.296 186 T C 0.619 175.387 174.700 0.114 0.000 1.117 186 T CA -0.653 61.547 62.100 0.167 0.000 1.006 186 T CB 2.298 71.242 68.868 0.126 0.000 1.191 186 T HN -0.118 nan 8.240 nan 0.000 0.508 187 E N 1.135 121.377 120.200 0.070 0.000 2.085 187 E HA -0.158 4.188 4.350 -0.007 0.000 0.194 187 E C 1.638 178.227 176.600 -0.019 0.000 0.994 187 E CA 1.870 58.284 56.400 0.022 0.000 0.801 187 E CB -0.393 29.319 29.700 0.020 0.000 0.743 187 E HN 0.617 nan 8.360 nan 0.000 0.453 188 N N 1.004 119.706 118.700 0.005 0.000 2.289 188 N HA -0.131 4.604 4.740 -0.007 0.000 0.184 188 N C 1.049 176.542 175.510 -0.030 0.000 1.016 188 N CA 1.345 54.392 53.050 -0.005 0.000 0.872 188 N CB -0.264 38.239 38.487 0.026 0.000 0.973 188 N HN 0.326 nan 8.380 nan 0.000 0.433 189 D N 0.373 120.761 120.400 -0.021 0.000 2.103 189 D HA -0.097 4.539 4.640 -0.007 0.000 0.199 189 D C 1.974 177.984 176.300 -0.483 0.000 0.978 189 D CA 0.546 54.515 54.000 -0.052 0.000 0.829 189 D CB -0.070 40.816 40.800 0.145 0.000 0.981 189 D HN 0.273 nan 8.370 nan 0.000 0.464 190 R N 0.339 120.478 120.500 -0.603 0.000 2.083 190 R HA -0.149 4.187 4.340 -0.007 0.000 0.237 190 R C 2.167 178.175 176.300 -0.487 0.000 1.137 190 R CA 0.914 56.467 56.100 -0.912 0.000 0.951 190 R CB -0.221 29.882 30.300 -0.328 0.000 0.851 190 R HN 0.045 nan 8.270 nan 0.000 0.434 191 L N 0.611 121.677 121.223 -0.262 0.000 2.046 191 L HA -0.094 4.242 4.340 -0.007 0.000 0.208 191 L C 2.499 179.251 176.870 -0.195 0.000 1.077 191 L CA 2.029 56.763 54.840 -0.176 0.000 0.747 191 L CB -1.164 40.837 42.059 -0.096 0.000 0.896 191 L HN 0.295 nan 8.230 nan 0.000 0.432 192 A N -1.138 121.576 122.820 -0.176 0.000 1.902 192 A HA -0.273 4.043 4.320 -0.007 0.000 0.217 192 A C 2.284 179.712 177.584 -0.261 0.000 1.181 192 A CA 1.649 53.619 52.037 -0.112 0.000 0.623 192 A CB -0.976 18.052 19.000 0.047 0.000 0.818 192 A HN 0.405 nan 8.150 nan 0.000 0.443 193 F N 0.429 119.930 119.950 -0.749 0.000 2.095 193 F HA -0.167 4.356 4.527 -0.008 0.000 0.298 193 F C 1.728 177.197 175.800 -0.552 0.000 1.104 193 F CA 1.546 58.873 58.000 -1.122 0.000 1.232 193 F CB -0.319 37.862 39.000 -1.365 0.000 0.987 193 F HN 0.128 nan 8.300 nan 0.000 0.475 194 L N 0.687 121.531 121.223 -0.631 0.000 2.083 194 L HA -0.199 4.136 4.340 -0.007 0.000 0.209 194 L C 2.130 178.754 176.870 -0.410 0.000 1.083 194 L CA 1.889 56.390 54.840 -0.564 0.000 0.752 194 L CB -1.619 40.235 42.059 -0.342 0.000 0.899 194 L HN 0.238 nan 8.230 nan 0.000 0.433 195 D N -1.389 118.831 120.400 -0.300 0.000 2.123 195 D HA -0.143 4.492 4.640 -0.007 0.000 0.200 195 D C 2.299 178.498 176.300 -0.169 0.000 0.976 195 D CA 1.024 54.911 54.000 -0.187 0.000 0.831 195 D CB 0.058 40.785 40.800 -0.123 0.000 0.974 195 D HN 0.303 nan 8.370 nan 0.000 0.469 196 C N 0.034 119.213 119.300 -0.200 0.000 2.413 196 C HA -0.091 4.365 4.460 -0.007 0.000 0.276 196 C C 2.676 177.609 174.990 -0.095 0.000 1.236 196 C CA 0.293 59.259 59.018 -0.087 0.000 1.735 196 C CB -1.106 26.570 27.740 -0.107 0.000 2.031 196 C HN 0.388 nan 8.230 nan 0.000 0.474 197 L N 0.755 121.777 121.223 -0.334 0.000 2.046 197 L HA -0.079 4.257 4.340 -0.007 0.000 0.208 197 L C 2.573 179.310 176.870 -0.222 0.000 1.077 197 L CA 1.846 56.499 54.840 -0.312 0.000 0.747 197 L CB -0.766 40.943 42.059 -0.583 0.000 0.896 197 L HN 0.210 nan 8.230 nan 0.000 0.432 198 S N -0.577 114.994 115.700 -0.215 0.000 2.447 198 S HA -0.107 4.358 4.470 -0.007 0.000 0.233 198 S C 1.770 176.318 174.600 -0.087 0.000 1.006 198 S CA 0.794 58.901 58.200 -0.155 0.000 0.957 198 S CB -0.371 62.744 63.200 -0.142 0.000 0.773 198 S HN 0.517 nan 8.310 nan 0.000 0.507 199 N N 1.031 119.705 118.700 -0.043 0.000 2.300 199 N HA 0.093 4.828 4.740 -0.007 0.000 0.179 199 N C 1.598 177.149 175.510 0.068 0.000 1.016 199 N CA 0.534 53.593 53.050 0.016 0.000 0.876 199 N CB -0.113 38.398 38.487 0.040 0.000 0.979 199 N HN 0.356 nan 8.380 nan 0.000 0.432 200 L N -0.611 120.670 121.223 0.097 0.000 2.127 200 L HA 0.035 4.370 4.340 -0.007 0.000 0.203 200 L C 0.617 177.530 176.870 0.072 0.000 1.080 200 L CA 0.923 55.860 54.840 0.162 0.000 0.768 200 L CB 0.256 42.475 42.059 0.265 0.000 0.924 200 L HN 0.041 nan 8.230 nan 0.000 0.444 201 T N -1.682 112.816 114.554 -0.092 0.000 2.802 201 T HA 0.248 4.594 4.350 -0.007 0.000 0.311 201 T C -1.023 173.510 174.700 -0.278 0.000 1.405 201 T CA -0.713 61.244 62.100 -0.238 0.000 1.016 201 T CB 1.703 70.183 68.868 -0.647 0.000 1.352 201 T HN 0.142 nan 8.240 nan 0.000 0.498 202 R N 1.764 122.115 120.500 -0.248 0.000 2.442 202 R HA 0.582 4.917 4.340 -0.007 0.000 0.291 202 R C -0.513 175.649 176.300 -0.230 0.000 1.069 202 R CA -0.301 55.687 56.100 -0.187 0.000 1.022 202 R CB 0.335 30.563 30.300 -0.121 0.000 0.976 202 R HN 0.433 nan 8.270 nan 0.000 0.443 203 V N 2.951 122.761 119.914 -0.173 0.000 2.540 203 V HA 0.527 4.642 4.120 -0.007 0.000 0.302 203 V C -0.896 175.149 176.094 -0.082 0.000 1.035 203 V CA -0.365 61.852 62.300 -0.138 0.000 0.873 203 V CB 2.209 33.946 31.823 -0.143 0.000 0.992 203 V HN 0.874 nan 8.190 nan 0.000 0.428 204 T N 5.015 119.533 114.554 -0.061 0.000 2.767 204 T HA 0.562 4.907 4.350 -0.007 0.000 0.284 204 T C -0.025 174.660 174.700 -0.025 0.000 0.973 204 T CA -0.125 61.948 62.100 -0.044 0.000 0.996 204 T CB 1.110 69.949 68.868 -0.047 0.000 0.927 204 T HN 0.917 nan 8.240 nan 0.000 0.456 205 T N 3.221 117.770 114.554 -0.008 0.000 2.885 205 T HA 0.519 4.864 4.350 -0.007 0.000 0.285 205 T C 0.860 175.529 174.700 -0.051 0.000 1.019 205 T CA -0.910 61.192 62.100 0.003 0.000 1.010 205 T CB 1.898 70.815 68.868 0.082 0.000 1.022 205 T HN 0.499 nan 8.240 nan 0.000 0.466 206 R N 0.378 120.820 120.500 -0.096 0.000 2.580 206 R HA 0.210 4.546 4.340 -0.007 0.000 0.285 206 R C -0.033 176.216 176.300 -0.086 0.000 0.947 206 R CA -0.077 55.973 56.100 -0.083 0.000 1.102 206 R CB 0.867 31.118 30.300 -0.082 0.000 1.696 206 R HN 0.476 nan 8.270 nan 0.000 0.506 207 S N 0.091 115.723 115.700 -0.115 0.000 2.701 207 S HA 0.340 4.805 4.470 -0.007 0.000 0.228 207 S C 0.358 174.905 174.600 -0.089 0.000 0.948 207 S CA 0.328 58.471 58.200 -0.096 0.000 1.129 207 S CB 1.412 64.549 63.200 -0.106 0.000 1.352 207 S HN 0.395 nan 8.310 nan 0.000 0.446 208 A N 2.089 124.872 122.820 -0.063 0.000 2.630 208 A HA -0.329 3.986 4.320 -0.007 0.000 0.234 208 A C 1.082 178.648 177.584 -0.030 0.000 0.442 208 A CA 2.376 54.394 52.037 -0.031 0.000 1.108 208 A CB -1.192 17.796 19.000 -0.021 0.000 1.405 208 A HN 0.546 nan 8.150 nan 0.000 0.690 209 K N -1.421 118.897 120.400 -0.137 0.000 2.734 209 K HA 0.396 4.711 4.320 -0.007 0.000 0.200 209 K C -0.217 176.048 176.600 -0.558 0.000 1.120 209 K CA 0.681 56.851 56.287 -0.195 0.000 1.067 209 K CB 1.052 33.541 32.500 -0.018 0.000 0.771 209 K HN 0.414 nan 8.250 nan 0.000 0.481 210 S N 1.492 116.751 115.700 -0.735 0.000 2.552 210 S HA 0.406 4.872 4.470 -0.007 0.000 0.314 210 S C -1.026 173.090 174.600 -0.807 0.000 1.099 210 S CA -0.564 57.229 58.200 -0.677 0.000 1.070 210 S CB 0.564 63.575 63.200 -0.316 0.000 0.998 210 S HN 0.256 nan 8.310 nan 0.000 0.474 211 H N 1.873 120.683 119.070 -0.434 0.000 2.894 211 H HA 0.598 5.149 4.556 -0.007 0.000 0.368 211 H C -0.698 174.264 175.328 -0.610 0.000 1.181 211 H CA -0.687 55.011 56.048 -0.583 0.000 1.146 211 H CB 1.742 30.979 29.762 -0.875 0.000 1.839 211 H HN 0.486 nan 8.280 nan 0.000 0.557 212 T N 0.696 115.119 114.554 -0.219 0.000 2.909 212 T HA 0.706 5.051 4.350 -0.007 0.000 0.299 212 T C -0.950 173.770 174.700 0.033 0.000 1.073 212 T CA -0.683 61.380 62.100 -0.062 0.000 0.999 212 T CB 1.993 70.845 68.868 -0.027 0.000 1.098 212 T HN 0.788 nan 8.240 nan 0.000 0.477 213 A N 1.698 124.617 122.820 0.165 0.000 2.512 213 A HA 0.565 4.880 4.320 -0.007 0.000 0.294 213 A C -0.755 176.935 177.584 0.177 0.000 1.054 213 A CA -0.760 51.267 52.037 -0.016 0.000 0.756 213 A CB 0.620 19.581 19.000 -0.065 0.000 1.293 213 A HN 0.913 nan 8.150 nan 0.000 0.395 214 W N 1.894 123.263 121.300 0.115 0.000 5.538 214 W HA -0.261 4.395 4.660 -0.008 0.000 0.377 214 W C 1.301 177.873 176.519 0.088 0.000 1.406 214 W CA 1.678 59.077 57.345 0.091 0.000 0.940 214 W CB -1.802 27.713 29.460 0.093 0.000 2.536 214 W HN 2.530 nan 8.180 nan 0.000 1.504 215 G N -0.615 108.322 108.800 0.230 0.000 2.189 215 G HA2 -0.367 3.588 3.960 -0.007 0.000 0.267 215 G HA3 -0.367 3.588 3.960 -0.007 0.000 0.267 215 G C 0.512 175.525 174.900 0.188 0.000 0.975 215 G CA 0.947 46.149 45.100 0.169 0.000 0.644 215 G HN 0.311 nan 8.290 nan 0.000 0.537 216 K N 0.963 121.531 120.400 0.280 0.000 2.258 216 K HA 0.655 4.971 4.320 -0.007 0.000 0.284 216 K C 0.488 177.297 176.600 0.348 0.000 1.051 216 K CA 0.249 56.716 56.287 0.300 0.000 0.923 216 K CB 1.560 34.281 32.500 0.367 0.000 1.046 216 K HN 0.461 nan 8.250 nan 0.000 0.474 217 A N 3.723 126.696 122.820 0.254 0.000 2.310 217 A HA 0.729 5.044 4.320 -0.007 0.000 0.299 217 A C -0.580 177.206 177.584 0.336 0.000 1.147 217 A CA -0.458 51.686 52.037 0.179 0.000 0.818 217 A CB -0.139 18.908 19.000 0.079 0.000 1.096 217 A HN 0.718 nan 8.150 nan 0.000 0.495 218 F N -0.378 119.670 119.950 0.163 0.000 2.773 218 F HA 0.785 5.307 4.527 -0.008 0.000 0.314 218 F C -0.799 175.117 175.800 0.193 0.000 1.160 218 F CA -1.179 56.939 58.000 0.196 0.000 0.920 218 F CB 1.269 40.438 39.000 0.281 0.000 1.323 218 F HN 0.521 nan 8.300 nan 0.000 0.457 219 R N 0.697 121.423 120.500 0.376 0.000 2.750 219 R HA 0.727 5.063 4.340 -0.007 0.000 0.281 219 R C -1.181 175.395 176.300 0.459 0.000 0.972 219 R CA -0.780 55.455 56.100 0.225 0.000 0.912 219 R CB 2.477 32.821 30.300 0.074 0.000 1.187 219 R HN 0.971 nan 8.270 nan 0.000 0.464 220 T N -1.399 113.434 114.554 0.465 0.000 2.924 220 T HA 0.698 5.044 4.350 -0.007 0.000 0.291 220 T C -0.572 174.328 174.700 0.333 0.000 1.045 220 T CA -0.790 61.621 62.100 0.517 0.000 1.015 220 T CB 2.472 71.728 68.868 0.647 0.000 1.103 220 T HN 0.538 nan 8.240 nan 0.000 0.496 221 E N 0.123 120.531 120.200 0.347 0.000 2.409 221 E HA 0.520 4.865 4.350 -0.007 0.000 0.280 221 E C -2.078 174.563 176.600 0.069 0.000 1.079 221 E CA -0.756 55.693 56.400 0.081 0.000 0.840 221 E CB 1.779 31.425 29.700 -0.089 0.000 1.309 221 E HN 0.643 nan 8.360 nan 0.000 0.447 222 V N 3.219 123.020 119.914 -0.188 0.000 2.417 222 V HA 0.505 4.620 4.120 -0.007 0.000 0.291 222 V C -1.031 174.936 176.094 -0.212 0.000 1.024 222 V CA -0.456 61.853 62.300 0.015 0.000 0.861 222 V CB 0.886 32.749 31.823 0.067 0.000 0.985 222 V HN 0.592 nan 8.190 nan 0.000 0.436 223 Y N 5.792 126.390 120.300 0.496 0.000 2.681 223 Y HA 0.398 4.943 4.550 -0.008 0.000 0.347 223 Y C -2.517 173.785 175.900 0.669 0.000 1.029 223 Y CA -2.888 55.512 58.100 0.499 0.000 1.279 223 Y CB 1.497 40.149 38.460 0.320 0.000 1.096 223 Y HN 0.472 nan 8.280 nan 0.000 0.580 224 P HA 0.083 nan 4.420 nan 0.000 0.275 224 P C 0.404 177.833 177.300 0.216 0.000 1.276 224 P CA 0.128 63.460 63.100 0.387 0.000 0.782 224 P CB 0.891 32.746 31.700 0.258 0.000 0.851 225 I N 2.639 123.161 120.570 -0.079 0.000 2.872 225 I HA 0.238 4.403 4.170 -0.007 0.000 0.291 225 I C 0.891 176.838 176.117 -0.283 0.000 1.216 225 I CA 0.880 61.742 61.300 -0.729 0.000 1.424 225 I CB 0.439 37.920 38.000 -0.866 0.000 1.351 225 I HN 0.442 nan 8.210 nan 0.000 0.592 226 G N 6.268 114.896 108.800 -0.286 0.000 3.222 226 G HA2 0.622 4.577 3.960 -0.007 0.000 0.263 226 G HA3 0.622 4.577 3.960 -0.007 0.000 0.263 226 G C -1.532 173.338 174.900 -0.050 0.000 1.312 226 G CA -0.571 44.491 45.100 -0.063 0.000 0.934 226 G HN 0.498 nan 8.290 nan 0.000 0.577 227 I N -0.912 119.669 120.570 0.018 0.000 3.067 227 I HA 0.412 4.578 4.170 -0.007 0.000 0.312 227 I C -0.354 175.797 176.117 0.057 0.000 1.073 227 I CA -0.854 60.467 61.300 0.036 0.000 1.016 227 I CB 2.500 40.528 38.000 0.047 0.000 1.227 227 I HN 0.450 nan 8.210 nan 0.000 0.456 228 E N 4.484 124.720 120.200 0.060 0.000 2.079 228 E HA 0.266 4.611 4.350 -0.007 0.000 0.252 228 E C -1.921 174.715 176.600 0.060 0.000 0.992 228 E CA -1.623 54.816 56.400 0.065 0.000 0.829 228 E CB 0.891 30.630 29.700 0.065 0.000 1.158 228 E HN 0.281 nan 8.360 nan 0.000 0.435 229 P HA -0.135 nan 4.420 nan 0.000 0.217 229 P C 0.796 178.125 177.300 0.049 0.000 1.151 229 P CA 1.027 64.157 63.100 0.050 0.000 0.828 229 P CB 0.345 32.069 31.700 0.040 0.000 0.788 230 K N -0.263 120.165 120.400 0.046 0.000 2.057 230 K HA -0.192 4.123 4.320 -0.007 0.000 0.207 230 K C 2.185 178.811 176.600 0.042 0.000 1.049 230 K CA 1.437 57.749 56.287 0.041 0.000 0.931 230 K CB -0.343 32.181 32.500 0.039 0.000 0.714 230 K HN 0.045 nan 8.250 nan 0.000 0.440 231 E N 0.931 121.159 120.200 0.047 0.000 2.106 231 E HA -0.135 4.210 4.350 -0.007 0.000 0.192 231 E C 1.726 178.354 176.600 0.048 0.000 0.984 231 E CA 0.851 57.278 56.400 0.046 0.000 0.806 231 E CB 0.027 29.757 29.700 0.050 0.000 0.750 231 E HN 0.066 nan 8.360 nan 0.000 0.458 232 I N 0.941 121.545 120.570 0.057 0.000 2.179 232 I HA -0.200 3.965 4.170 -0.007 0.000 0.242 232 I C 2.315 178.464 176.117 0.054 0.000 1.088 232 I CA 1.478 62.818 61.300 0.067 0.000 1.357 232 I CB -1.697 36.355 38.000 0.087 0.000 1.051 232 I HN 0.168 nan 8.210 nan 0.000 0.409 233 A N 0.347 123.195 122.820 0.048 0.000 1.940 233 A HA -0.270 4.046 4.320 -0.007 0.000 0.219 233 A C 2.468 180.067 177.584 0.026 0.000 1.176 233 A CA 2.037 54.095 52.037 0.036 0.000 0.631 233 A CB -0.642 18.380 19.000 0.037 0.000 0.814 233 A HN 0.430 nan 8.150 nan 0.000 0.446 234 K N -0.527 119.889 120.400 0.027 0.000 2.026 234 K HA -0.206 4.109 4.320 -0.007 0.000 0.208 234 K C 2.237 178.846 176.600 0.016 0.000 1.048 234 K CA 1.761 58.060 56.287 0.020 0.000 0.929 234 K CB -0.213 32.300 32.500 0.023 0.000 0.713 234 K HN 0.670 nan 8.250 nan 0.000 0.439 235 Q N -0.275 119.537 119.800 0.020 0.000 2.079 235 Q HA -0.078 4.257 4.340 -0.007 0.000 0.200 235 Q C 2.147 178.149 176.000 0.004 0.000 0.974 235 Q CA 1.287 57.097 55.803 0.012 0.000 0.840 235 Q CB -0.124 28.624 28.738 0.017 0.000 0.898 235 Q HN 0.389 nan 8.270 nan 0.000 0.430 236 A N 1.189 124.015 122.820 0.010 0.000 1.940 236 A HA -0.129 4.186 4.320 -0.007 0.000 0.219 236 A C 2.205 179.787 177.584 -0.003 0.000 1.176 236 A CA 1.710 53.748 52.037 0.002 0.000 0.631 236 A CB -0.628 18.380 19.000 0.014 0.000 0.814 236 A HN 0.387 nan 8.150 nan 0.000 0.446 237 A N -0.480 122.340 122.820 -0.001 0.000 2.169 237 A HA 0.442 4.757 4.320 -0.007 0.000 0.212 237 A C 1.485 179.065 177.584 -0.006 0.000 1.153 237 A CA 0.755 52.790 52.037 -0.004 0.000 0.756 237 A CB -0.943 18.057 19.000 -0.001 0.000 0.813 237 A HN 0.741 nan 8.150 nan 0.000 0.471 238 G N 0.316 109.112 108.800 -0.005 0.000 2.636 238 G HA2 0.420 4.375 3.960 -0.007 0.000 0.246 238 G HA3 0.420 4.375 3.960 -0.007 0.000 0.246 238 G C -2.655 172.237 174.900 -0.013 0.000 1.216 238 G CA -0.893 44.203 45.100 -0.008 0.000 0.854 238 G HN 0.155 nan 8.290 nan 0.000 0.572 239 P HA 0.085 nan 4.420 nan 0.000 0.263 239 P C 0.166 177.451 177.300 -0.026 0.000 1.195 239 P CA -0.043 63.044 63.100 -0.022 0.000 0.762 239 P CB 0.480 32.168 31.700 -0.019 0.000 0.799 240 L N 6.222 127.422 121.223 -0.038 0.000 2.485 240 L HA 0.132 4.468 4.340 -0.007 0.000 0.275 240 L C -1.639 175.208 176.870 -0.039 0.000 1.207 240 L CA -1.452 53.361 54.840 -0.046 0.000 0.855 240 L CB -0.379 41.629 42.059 -0.084 0.000 1.114 240 L HN 0.299 nan 8.230 nan 0.000 0.485 241 P HA 0.132 nan 4.420 nan 0.000 0.271 241 P C -2.093 175.188 177.300 -0.032 0.000 1.218 241 P CA -1.270 61.816 63.100 -0.024 0.000 0.780 241 P CB 0.156 31.848 31.700 -0.012 0.000 0.901 242 P HA -0.253 nan 4.420 nan 0.000 0.219 242 P C 1.106 178.384 177.300 -0.036 0.000 1.158 242 P CA 1.977 65.058 63.100 -0.031 0.000 0.895 242 P CB -0.116 31.571 31.700 -0.022 0.000 0.792 243 K N -1.445 118.939 120.400 -0.026 0.000 2.365 243 K HA 0.032 4.348 4.320 -0.007 0.000 0.199 243 K C 1.755 178.329 176.600 -0.044 0.000 1.045 243 K CA 0.797 57.071 56.287 -0.021 0.000 0.962 243 K CB -0.626 31.875 32.500 0.001 0.000 0.759 243 K HN 0.214 nan 8.250 nan 0.000 0.469 244 L N -0.036 121.148 121.223 -0.065 0.000 2.249 244 L HA 0.134 4.469 4.340 -0.007 0.000 0.207 244 L C 2.327 179.067 176.870 -0.217 0.000 1.090 244 L CA 1.046 55.804 54.840 -0.136 0.000 0.802 244 L CB -1.708 40.289 42.059 -0.104 0.000 0.947 244 L HN -0.018 nan 8.230 nan 0.000 0.453 245 A N -0.348 122.383 122.820 -0.147 0.000 1.902 245 A HA -0.265 4.050 4.320 -0.007 0.000 0.217 245 A C 2.332 179.845 177.584 -0.120 0.000 1.181 245 A CA 1.727 53.682 52.037 -0.136 0.000 0.623 245 A CB -0.504 18.444 19.000 -0.087 0.000 0.818 245 A HN 0.464 nan 8.150 nan 0.000 0.443 246 Q N -1.110 118.638 119.800 -0.088 0.000 2.050 246 Q HA -0.189 4.146 4.340 -0.007 0.000 0.202 246 Q C 2.045 178.001 176.000 -0.073 0.000 0.980 246 Q CA 1.746 57.513 55.803 -0.062 0.000 0.840 246 Q CB -0.244 28.473 28.738 -0.035 0.000 0.898 246 Q HN 0.578 nan 8.270 nan 0.000 0.424 247 L N 1.119 122.283 121.223 -0.097 0.000 2.083 247 L HA -0.173 4.163 4.340 -0.007 0.000 0.209 247 L C 2.192 178.973 176.870 -0.148 0.000 1.083 247 L CA 1.868 56.649 54.840 -0.099 0.000 0.752 247 L CB -0.429 41.571 42.059 -0.098 0.000 0.899 247 L HN 0.085 nan 8.230 nan 0.000 0.433 248 K N -0.610 119.636 120.400 -0.257 0.000 2.057 248 K HA -0.103 4.212 4.320 -0.007 0.000 0.206 248 K C 1.874 178.406 176.600 -0.115 0.000 1.050 248 K CA 1.213 57.338 56.287 -0.270 0.000 0.935 248 K CB -0.185 32.088 32.500 -0.378 0.000 0.715 248 K HN 0.435 nan 8.250 nan 0.000 0.439 249 A N 0.785 123.550 122.820 -0.093 0.000 2.168 249 A HA -0.082 4.233 4.320 -0.007 0.000 0.215 249 A C 1.550 179.119 177.584 -0.025 0.000 1.152 249 A CA 1.030 53.037 52.037 -0.049 0.000 0.716 249 A CB -0.174 18.799 19.000 -0.045 0.000 0.794 249 A HN 0.421 nan 8.150 nan 0.000 0.465 250 E N -0.568 119.617 120.200 -0.024 0.000 2.250 250 E HA 0.121 4.467 4.350 -0.007 0.000 0.192 250 E C 0.412 177.024 176.600 0.020 0.000 0.986 250 E CA 0.257 56.659 56.400 0.003 0.000 0.849 250 E CB 0.045 29.751 29.700 0.010 0.000 0.797 250 E HN 0.527 nan 8.360 nan 0.000 0.482 251 L N 1.216 122.448 121.223 0.014 0.000 2.978 251 L HA 0.205 4.540 4.340 -0.007 0.000 0.239 251 L C 1.263 178.156 176.870 0.038 0.000 1.293 251 L CA -0.092 54.772 54.840 0.040 0.000 1.085 251 L CB 0.061 42.155 42.059 0.057 0.000 1.432 251 L HN -0.006 nan 8.230 nan 0.000 0.512 252 K N 0.614 121.027 120.400 0.023 0.000 2.044 252 K HA -0.129 4.187 4.320 -0.007 0.000 0.210 252 K C 1.154 177.772 176.600 0.029 0.000 1.049 252 K CA 1.414 57.713 56.287 0.020 0.000 0.927 252 K CB 0.098 32.605 32.500 0.011 0.000 0.713 252 K HN 0.426 nan 8.250 nan 0.000 0.443 253 N N 0.103 118.821 118.700 0.030 0.000 2.280 253 N HA 0.031 4.767 4.740 -0.007 0.000 0.192 253 N C -0.692 174.842 175.510 0.039 0.000 1.109 253 N CA 0.217 53.284 53.050 0.029 0.000 0.855 253 N CB 0.924 39.421 38.487 0.017 0.000 0.974 253 N HN -0.106 nan 8.380 nan 0.000 0.482 254 V N 1.968 121.916 119.914 0.057 0.000 2.347 254 V HA 0.212 4.328 4.120 -0.007 0.000 0.280 254 V C 0.233 176.382 176.094 0.091 0.000 1.021 254 V CA -0.788 61.561 62.300 0.081 0.000 0.847 254 V CB 1.710 33.600 31.823 0.111 0.000 0.990 254 V HN 0.033 nan 8.190 nan 0.000 0.444 255 Q N 3.383 123.236 119.800 0.088 0.000 2.299 255 Q HA 0.365 4.701 4.340 -0.007 0.000 0.246 255 Q C -0.568 175.484 176.000 0.087 0.000 0.935 255 Q CA -0.353 55.497 55.803 0.078 0.000 0.887 255 Q CB 1.098 29.867 28.738 0.051 0.000 1.223 255 Q HN 0.609 nan 8.270 nan 0.000 0.439 256 N N 2.256 120.997 118.700 0.068 0.000 2.417 256 N HA 0.404 5.140 4.740 -0.007 0.000 0.274 256 N C -0.994 174.550 175.510 0.057 0.000 0.987 256 N CA -0.274 52.809 53.050 0.055 0.000 0.912 256 N CB 1.363 39.855 38.487 0.007 0.000 1.177 256 N HN 0.422 nan 8.380 nan 0.000 0.490 257 I N 2.316 122.933 120.570 0.078 0.000 2.359 257 I HA 0.375 4.540 4.170 -0.007 0.000 0.294 257 I C -0.634 175.606 176.117 0.206 0.000 0.987 257 I CA -0.656 60.686 61.300 0.069 0.000 1.225 257 I CB 0.906 38.883 38.000 -0.039 0.000 1.366 257 I HN 0.320 nan 8.210 nan 0.000 0.466 258 F N 4.782 124.733 119.950 0.001 0.000 2.556 258 F HA 0.634 5.156 4.527 -0.008 0.000 0.314 258 F C -0.596 175.245 175.800 0.069 0.000 1.106 258 F CA -0.191 57.835 58.000 0.042 0.000 0.911 258 F CB 1.901 40.919 39.000 0.029 0.000 1.190 258 F HN 0.334 nan 8.300 nan 0.000 0.448 259 S N 3.661 119.016 115.700 -0.576 0.000 2.541 259 S HA 0.763 5.228 4.470 -0.007 0.000 0.280 259 S C -1.642 172.624 174.600 -0.557 0.000 1.112 259 S CA -0.754 57.253 58.200 -0.322 0.000 0.925 259 S CB 1.982 65.178 63.200 -0.007 0.000 1.067 259 S HN 0.666 nan 8.310 nan 0.000 0.479 260 V N 3.210 123.023 119.914 -0.169 0.000 2.841 260 V HA 0.904 5.020 4.120 -0.007 0.000 0.310 260 V C -1.862 174.269 176.094 0.062 0.000 1.090 260 V CA -0.272 61.986 62.300 -0.071 0.000 0.930 260 V CB 1.659 33.506 31.823 0.040 0.000 1.014 260 V HN 1.057 nan 8.190 nan 0.000 0.425 261 E N 4.768 125.006 120.200 0.064 0.000 2.403 261 E HA 0.329 4.675 4.350 -0.007 0.000 0.280 261 E C -1.318 175.340 176.600 0.096 0.000 1.101 261 E CA -1.103 55.355 56.400 0.096 0.000 0.856 261 E CB 1.276 31.026 29.700 0.083 0.000 1.303 261 E HN 0.680 nan 8.360 nan 0.000 0.441 262 R N 0.510 121.072 120.500 0.104 0.000 2.638 262 R HA 0.065 4.400 4.340 -0.007 0.000 0.268 262 R C 0.197 176.543 176.300 0.077 0.000 1.006 262 R CA -0.013 56.141 56.100 0.089 0.000 1.088 262 R CB 0.194 30.539 30.300 0.074 0.000 0.950 262 R HN 0.430 nan 8.270 nan 0.000 0.419 263 L N 3.958 125.234 121.223 0.089 0.000 2.385 263 L HA 0.094 4.430 4.340 -0.007 0.000 0.285 263 L C -0.500 176.423 176.870 0.087 0.000 1.125 263 L CA 0.407 55.297 54.840 0.082 0.000 0.890 263 L CB 0.004 42.128 42.059 0.107 0.000 1.251 263 L HN 0.538 nan 8.230 nan 0.000 0.445 264 D N 2.227 122.598 120.400 -0.049 0.000 2.857 264 D HA 0.059 4.694 4.640 -0.007 0.000 0.227 264 D C 0.395 176.480 176.300 -0.357 0.000 1.192 264 D CA -0.457 53.363 54.000 -0.300 0.000 0.857 264 D CB 1.371 42.089 40.800 -0.137 0.000 1.645 264 D HN 0.437 nan 8.370 nan 0.000 0.482 265 Y N 1.268 121.359 120.300 -0.349 0.000 2.333 265 Y HA -0.100 4.446 4.550 -0.008 0.000 0.290 265 Y C 2.148 177.981 175.900 -0.112 0.000 1.144 265 Y CA 1.105 59.080 58.100 -0.209 0.000 1.228 265 Y CB -0.734 37.595 38.460 -0.217 0.000 0.985 265 Y HN 0.244 nan 8.280 nan 0.000 0.542 266 S N 0.169 115.773 115.700 -0.160 0.000 2.440 266 S HA -0.164 4.301 4.470 -0.007 0.000 0.238 266 S C 1.599 176.175 174.600 -0.039 0.000 1.010 266 S CA 0.942 59.092 58.200 -0.084 0.000 0.972 266 S CB -0.290 62.719 63.200 -0.318 0.000 0.774 266 S HN 0.414 nan 8.310 nan 0.000 0.501 267 K N 0.872 121.244 120.400 -0.047 0.000 2.400 267 K HA 0.205 4.521 4.320 -0.007 0.000 0.194 267 K C 1.423 178.004 176.600 -0.032 0.000 1.033 267 K CA 0.648 56.924 56.287 -0.019 0.000 1.021 267 K CB -0.851 31.644 32.500 -0.008 0.000 0.808 267 K HN 0.613 nan 8.250 nan 0.000 0.505 268 G N 2.253 111.023 108.800 -0.050 0.000 2.246 268 G HA2 -0.228 3.728 3.960 -0.007 0.000 0.273 268 G HA3 -0.228 3.728 3.960 -0.007 0.000 0.273 268 G C 0.617 175.470 174.900 -0.078 0.000 1.055 268 G CA 0.061 45.114 45.100 -0.077 0.000 0.851 268 G HN 0.129 nan 8.290 nan 0.000 0.500 269 L N 0.260 121.421 121.223 -0.104 0.000 2.056 269 L HA 0.062 4.398 4.340 -0.007 0.000 0.207 269 L C 0.652 177.340 176.870 -0.303 0.000 1.078 269 L CA 2.273 57.013 54.840 -0.167 0.000 0.749 269 L CB -1.721 40.206 42.059 -0.221 0.000 0.901 269 L HN 0.199 nan 8.230 nan 0.000 0.433 270 P HA -0.151 nan 4.420 nan 0.000 0.215 270 P C 1.358 178.620 177.300 -0.062 0.000 1.153 270 P CA 1.145 64.095 63.100 -0.249 0.000 0.853 270 P CB 0.149 31.754 31.700 -0.160 0.000 0.788 271 E N -0.949 119.222 120.200 -0.049 0.000 2.150 271 E HA -0.150 4.195 4.350 -0.007 0.000 0.193 271 E C 2.161 178.784 176.600 0.038 0.000 0.985 271 E CA 0.882 57.274 56.400 -0.014 0.000 0.814 271 E CB -0.478 29.171 29.700 -0.085 0.000 0.752 271 E HN 0.067 nan 8.360 nan 0.000 0.466 272 R N -0.614 119.922 120.500 0.060 0.000 2.075 272 R HA -0.087 4.249 4.340 -0.007 0.000 0.232 272 R C 1.677 178.160 176.300 0.306 0.000 1.126 272 R CA 1.084 57.261 56.100 0.127 0.000 0.963 272 R CB -0.216 30.186 30.300 0.170 0.000 0.858 272 R HN 0.113 nan 8.270 nan 0.000 0.435 273 F N 0.113 120.130 119.950 0.113 0.000 2.126 273 F HA -0.171 4.352 4.527 -0.007 0.000 0.299 273 F C 1.929 177.816 175.800 0.145 0.000 1.096 273 F CA 0.820 58.933 58.000 0.189 0.000 1.255 273 F CB -0.740 38.334 39.000 0.123 0.000 0.997 273 F HN 0.040 nan 8.300 nan 0.000 0.479 274 L N -0.136 121.251 121.223 0.274 0.000 2.083 274 L HA -0.135 4.201 4.340 -0.007 0.000 0.209 274 L C 2.571 179.514 176.870 0.122 0.000 1.083 274 L CA 1.716 56.656 54.840 0.166 0.000 0.752 274 L CB -1.891 40.235 42.059 0.113 0.000 0.899 274 L HN 0.113 nan 8.230 nan 0.000 0.433 275 A N -1.699 121.184 122.820 0.106 0.000 1.898 275 A HA -0.274 4.041 4.320 -0.007 0.000 0.216 275 A C 2.290 179.910 177.584 0.061 0.000 1.181 275 A CA 1.390 53.461 52.037 0.057 0.000 0.620 275 A CB -0.888 18.117 19.000 0.008 0.000 0.819 275 A HN 0.434 nan 8.150 nan 0.000 0.442 276 Y N 0.704 120.957 120.300 -0.079 0.000 2.181 276 Y HA -0.188 4.358 4.550 -0.007 0.000 0.288 276 Y C 2.319 178.174 175.900 -0.076 0.000 1.146 276 Y CA 1.951 59.981 58.100 -0.117 0.000 1.164 276 Y CB -0.466 37.922 38.460 -0.120 0.000 0.982 276 Y HN 0.566 nan 8.280 nan 0.000 0.515 277 E N -0.139 120.029 120.200 -0.053 0.000 2.097 277 E HA -0.252 4.093 4.350 -0.007 0.000 0.196 277 E C 2.188 178.697 176.600 -0.152 0.000 1.000 277 E CA 1.378 57.684 56.400 -0.156 0.000 0.804 277 E CB -0.340 29.401 29.700 0.068 0.000 0.740 277 E HN 0.511 nan 8.360 nan 0.000 0.454 278 A N 0.796 123.602 122.820 -0.024 0.000 1.968 278 A HA -0.101 4.214 4.320 -0.007 0.000 0.217 278 A C 2.111 179.743 177.584 0.079 0.000 1.169 278 A CA 1.071 53.133 52.037 0.042 0.000 0.638 278 A CB -0.551 18.496 19.000 0.078 0.000 0.812 278 A HN 0.397 nan 8.150 nan 0.000 0.446 279 L N -0.737 120.491 121.223 0.008 0.000 2.017 279 L HA -0.127 4.209 4.340 -0.007 0.000 0.208 279 L C 2.071 178.995 176.870 0.090 0.000 1.073 279 L CA 1.681 56.553 54.840 0.054 0.000 0.745 279 L CB -0.460 41.529 42.059 -0.117 0.000 0.894 279 L HN 0.244 nan 8.230 nan 0.000 0.432 280 L N -0.362 120.729 121.223 -0.220 0.000 2.093 280 L HA -0.145 4.191 4.340 -0.007 0.000 0.208 280 L C 2.579 179.448 176.870 -0.001 0.000 1.085 280 L CA 1.666 56.365 54.840 -0.234 0.000 0.755 280 L CB -1.331 40.140 42.059 -0.981 0.000 0.904 280 L HN 0.432 nan 8.230 nan 0.000 0.435 281 E N 0.115 120.279 120.200 -0.060 0.000 2.072 281 E HA -0.159 4.187 4.350 -0.007 0.000 0.190 281 E C 1.960 178.625 176.600 0.108 0.000 0.982 281 E CA 1.536 58.022 56.400 0.144 0.000 0.803 281 E CB 0.078 29.874 29.700 0.160 0.000 0.755 281 E HN 0.354 nan 8.360 nan 0.000 0.453 282 K N -1.335 119.111 120.400 0.075 0.000 2.354 282 K HA 0.088 4.404 4.320 -0.007 0.000 0.194 282 K C -0.236 176.155 176.600 -0.348 0.000 1.038 282 K CA 0.076 56.287 56.287 -0.126 0.000 1.052 282 K CB 0.535 32.922 32.500 -0.189 0.000 0.861 282 K HN 0.141 nan 8.250 nan 0.000 0.535 283 Y N 1.002 121.308 120.300 0.010 0.000 2.562 283 Y HA 0.193 4.737 4.550 -0.009 0.000 0.363 283 Y C -1.910 173.933 175.900 -0.096 0.000 0.991 283 Y CA -2.116 55.974 58.100 -0.016 0.000 1.121 283 Y CB 0.827 39.361 38.460 0.123 0.000 1.159 283 Y HN -0.014 nan 8.280 nan 0.000 0.651 284 P HA -0.185 nan 4.420 nan 0.000 0.225 284 P C 0.579 177.623 177.300 -0.428 0.000 1.148 284 P CA 1.218 63.978 63.100 -0.567 0.000 0.779 284 P CB 0.474 31.906 31.700 -0.447 0.000 0.780 285 Q N -0.571 119.064 119.800 -0.275 0.000 2.217 285 Q HA -0.198 4.137 4.340 -0.007 0.000 0.209 285 Q C 1.924 177.783 176.000 -0.233 0.000 0.988 285 Q CA 1.466 57.103 55.803 -0.275 0.000 0.878 285 Q CB -1.299 27.226 28.738 -0.354 0.000 0.909 285 Q HN 0.535 nan 8.270 nan 0.000 0.424 286 H N -0.666 118.406 119.070 0.004 0.000 2.548 286 H HA 0.109 4.663 4.556 -0.004 0.000 0.265 286 H C -0.128 175.207 175.328 0.011 0.000 0.969 286 H CA 0.063 56.135 56.048 0.041 0.000 1.155 286 H CB -0.128 29.695 29.762 0.102 0.000 1.394 286 H HN 0.471 nan 8.280 nan 0.000 0.570 287 H N 0.073 119.074 119.070 -0.116 0.000 2.964 287 H HA 0.094 4.648 4.556 -0.005 0.000 0.328 287 H C 1.242 176.069 175.328 -0.835 0.000 1.030 287 H CA 0.435 56.200 56.048 -0.472 0.000 1.445 287 H CB 0.706 30.345 29.762 -0.205 0.000 1.449 287 H HN 0.512 nan 8.280 nan 0.000 0.581 288 G N 2.884 110.568 108.800 -1.860 0.000 2.179 288 G HA2 -0.329 3.627 3.960 -0.007 0.000 0.260 288 G HA3 -0.329 3.627 3.960 -0.007 0.000 0.260 288 G C 0.879 175.342 174.900 -0.727 0.000 0.977 288 G CA 0.569 44.757 45.100 -1.522 0.000 0.641 288 G HN 0.644 nan 8.290 nan 0.000 0.533 289 K N -0.314 119.847 120.400 -0.399 0.000 2.477 289 K HA 0.444 4.760 4.320 -0.007 0.000 0.208 289 K C 0.867 177.511 176.600 0.072 0.000 1.117 289 K CA 0.533 56.771 56.287 -0.082 0.000 1.039 289 K CB 0.881 33.368 32.500 -0.021 0.000 0.937 289 K HN 0.710 nan 8.250 nan 0.000 0.570 290 I N -1.936 118.743 120.570 0.182 0.000 3.174 290 I HA 0.627 4.793 4.170 -0.007 0.000 0.313 290 I C -1.450 174.960 176.117 0.487 0.000 1.155 290 I CA -1.473 59.993 61.300 0.276 0.000 0.977 290 I CB 2.329 40.459 38.000 0.216 0.000 1.248 290 I HN -0.175 nan 8.210 nan 0.000 0.453 291 R N 2.169 122.867 120.500 0.331 0.000 2.594 291 R HA 0.437 4.773 4.340 -0.007 0.000 0.265 291 R C -2.461 173.900 176.300 0.102 0.000 1.070 291 R CA -0.619 55.644 56.100 0.272 0.000 0.909 291 R CB 1.490 31.875 30.300 0.143 0.000 1.243 291 R HN 0.729 nan 8.270 nan 0.000 0.455 292 Y N 2.441 122.572 120.300 -0.282 0.000 2.328 292 Y HA 0.572 5.117 4.550 -0.008 0.000 0.337 292 Y C -1.344 174.375 175.900 -0.302 0.000 0.966 292 Y CA -0.657 57.136 58.100 -0.512 0.000 1.136 292 Y CB 2.122 39.776 38.460 -1.344 0.000 1.170 292 Y HN 0.675 nan 8.280 nan 0.000 0.470 293 T N 6.953 121.332 114.554 -0.292 0.000 2.786 293 T HA 0.276 4.622 4.350 -0.007 0.000 0.283 293 T C -1.069 173.283 174.700 -0.580 0.000 0.992 293 T CA -0.550 61.356 62.100 -0.323 0.000 0.954 293 T CB 0.996 69.865 68.868 0.002 0.000 0.934 293 T HN 0.571 nan 8.240 nan 0.000 0.440 294 Q N 3.752 123.200 119.800 -0.586 0.000 2.348 294 Q HA 0.543 4.878 4.340 -0.007 0.000 0.265 294 Q C -1.246 174.636 176.000 -0.197 0.000 0.998 294 Q CA -0.429 55.148 55.803 -0.377 0.000 0.831 294 Q CB 0.549 29.209 28.738 -0.131 0.000 1.251 294 Q HN 0.653 nan 8.270 nan 0.000 0.456 295 I N 2.931 123.334 120.570 -0.279 0.000 2.336 295 I HA 0.720 4.885 4.170 -0.007 0.000 0.292 295 I C -0.466 175.637 176.117 -0.023 0.000 0.991 295 I CA -0.937 60.274 61.300 -0.148 0.000 1.227 295 I CB 1.686 39.549 38.000 -0.229 0.000 1.366 295 I HN 0.778 nan 8.210 nan 0.000 0.466 296 A N 8.386 131.231 122.820 0.042 0.000 3.124 296 A HA 0.477 4.792 4.320 -0.007 0.000 0.295 296 A C -2.776 174.865 177.584 0.095 0.000 1.199 296 A CA -1.012 51.085 52.037 0.100 0.000 0.845 296 A CB 0.266 19.377 19.000 0.186 0.000 1.381 296 A HN 0.370 nan 8.150 nan 0.000 0.537 297 P HA 0.185 nan 4.420 nan 0.000 0.271 297 P C 0.134 177.478 177.300 0.073 0.000 1.218 297 P CA 0.505 63.666 63.100 0.102 0.000 0.780 297 P CB 0.593 32.401 31.700 0.180 0.000 0.901 298 T N 1.944 116.523 114.554 0.042 0.000 2.829 298 T HA 0.120 4.465 4.350 -0.007 0.000 0.293 298 T C 0.582 175.276 174.700 -0.010 0.000 0.970 298 T CA 0.739 62.855 62.100 0.025 0.000 1.168 298 T CB -0.377 68.492 68.868 0.002 0.000 0.911 298 T HN 0.328 nan 8.240 nan 0.000 0.535 299 S N 3.217 118.911 115.700 -0.009 0.000 2.454 299 S HA 0.410 4.875 4.470 -0.007 0.000 0.306 299 S C 0.234 174.644 174.600 -0.316 0.000 1.100 299 S CA -0.957 57.177 58.200 -0.110 0.000 1.087 299 S CB 0.293 63.456 63.200 -0.062 0.000 1.019 299 S HN 0.756 nan 8.310 nan 0.000 0.480 300 R N 2.402 122.680 120.500 -0.369 0.000 3.225 300 R HA -0.174 4.161 4.340 -0.007 0.000 0.245 300 R C 1.105 177.155 176.300 -0.418 0.000 0.928 300 R CA 0.660 56.458 56.100 -0.503 0.000 0.632 300 R CB -2.089 27.635 30.300 -0.959 0.000 1.038 300 R HN 0.751 nan 8.270 nan 0.000 0.461 301 G N 0.024 108.715 108.800 -0.182 0.000 2.776 301 G HA2 -0.157 3.799 3.960 -0.007 0.000 0.209 301 G HA3 -0.157 3.799 3.960 -0.007 0.000 0.209 301 G C 0.608 175.492 174.900 -0.026 0.000 1.145 301 G CA 0.430 45.494 45.100 -0.061 0.000 0.791 301 G HN 0.361 nan 8.290 nan 0.000 0.530 302 D N -0.345 120.022 120.400 -0.055 0.000 2.348 302 D HA 0.011 4.647 4.640 -0.007 0.000 0.216 302 D C 1.272 177.578 176.300 0.010 0.000 0.970 302 D CA 0.449 54.441 54.000 -0.014 0.000 0.889 302 D CB 0.264 41.057 40.800 -0.012 0.000 0.912 302 D HN 0.313 nan 8.370 nan 0.000 0.524 303 V N -0.505 119.414 119.914 0.010 0.000 2.628 303 V HA 0.283 4.398 4.120 -0.007 0.000 0.306 303 V C 1.004 177.198 176.094 0.168 0.000 1.045 303 V CA -0.732 61.616 62.300 0.080 0.000 0.905 303 V CB 2.316 34.183 31.823 0.073 0.000 0.997 303 V HN -0.309 nan 8.190 nan 0.000 0.436 304 Q N 5.140 125.023 119.800 0.138 0.000 2.077 304 Q HA -0.088 4.247 4.340 -0.007 0.000 0.206 304 Q C 2.010 178.099 176.000 0.148 0.000 0.989 304 Q CA 3.068 58.946 55.803 0.125 0.000 0.853 304 Q CB -0.738 28.048 28.738 0.079 0.000 0.907 304 Q HN 1.147 nan 8.270 nan 0.000 0.418 305 A N -0.965 121.954 122.820 0.166 0.000 1.940 305 A HA -0.201 4.114 4.320 -0.007 0.000 0.219 305 A C 1.854 179.536 177.584 0.163 0.000 1.176 305 A CA 1.690 53.794 52.037 0.112 0.000 0.631 305 A CB -0.901 18.124 19.000 0.042 0.000 0.814 305 A HN 0.547 nan 8.150 nan 0.000 0.446 306 Y N -0.208 120.179 120.300 0.145 0.000 2.286 306 Y HA -0.119 4.427 4.550 -0.007 0.000 0.293 306 Y C 2.703 178.636 175.900 0.055 0.000 1.124 306 Y CA 1.543 59.701 58.100 0.096 0.000 1.178 306 Y CB -0.417 38.062 38.460 0.032 0.000 1.010 306 Y HN 0.402 nan 8.280 nan 0.000 0.536 307 Q N -0.097 119.836 119.800 0.223 0.000 2.167 307 Q HA -0.179 4.157 4.340 -0.007 0.000 0.202 307 Q C 1.399 177.521 176.000 0.204 0.000 0.970 307 Q CA 1.436 57.335 55.803 0.159 0.000 0.855 307 Q CB -0.106 28.744 28.738 0.187 0.000 0.911 307 Q HN 0.432 nan 8.270 nan 0.000 0.438 308 D N 0.684 121.188 120.400 0.174 0.000 2.144 308 D HA -0.142 4.493 4.640 -0.007 0.000 0.199 308 D C 1.845 178.199 176.300 0.089 0.000 0.984 308 D CA 0.879 54.963 54.000 0.140 0.000 0.834 308 D CB -0.088 40.754 40.800 0.070 0.000 0.955 308 D HN 0.313 nan 8.370 nan 0.000 0.465 309 I N -0.131 120.468 120.570 0.049 0.000 2.353 309 I HA -0.100 4.066 4.170 -0.007 0.000 0.248 309 I C 2.217 178.307 176.117 -0.045 0.000 1.119 309 I CA 1.052 62.343 61.300 -0.016 0.000 1.417 309 I CB -0.051 37.925 38.000 -0.040 0.000 1.078 309 I HN -0.209 nan 8.210 nan 0.000 0.421 310 R N -0.130 120.356 120.500 -0.024 0.000 2.096 310 R HA -0.259 4.076 4.340 -0.007 0.000 0.240 310 R C 2.361 178.602 176.300 -0.098 0.000 1.139 310 R CA 2.446 58.507 56.100 -0.065 0.000 0.952 310 R CB -0.613 29.622 30.300 -0.109 0.000 0.854 310 R HN 0.558 nan 8.270 nan 0.000 0.436 311 H N -0.654 118.422 119.070 0.011 0.000 2.423 311 H HA -0.050 4.501 4.556 -0.008 0.000 0.297 311 H C 2.214 177.521 175.328 -0.034 0.000 1.075 311 H CA 1.239 57.289 56.048 0.004 0.000 1.342 311 H CB 0.176 29.946 29.762 0.013 0.000 1.395 311 H HN 0.205 nan 8.280 nan 0.000 0.530 312 Q N 0.116 119.945 119.800 0.049 0.000 2.167 312 Q HA -0.104 4.231 4.340 -0.007 0.000 0.202 312 Q C 2.022 177.949 176.000 -0.120 0.000 0.970 312 Q CA 0.781 56.567 55.803 -0.028 0.000 0.855 312 Q CB -0.003 28.704 28.738 -0.053 0.000 0.911 312 Q HN 0.364 nan 8.270 nan 0.000 0.438 313 L N 0.878 121.957 121.223 -0.242 0.000 2.072 313 L HA -0.106 4.229 4.340 -0.007 0.000 0.205 313 L C 2.076 178.734 176.870 -0.352 0.000 1.079 313 L CA 1.531 56.083 54.840 -0.481 0.000 0.752 313 L CB -0.656 40.957 42.059 -0.745 0.000 0.906 313 L HN 0.188 nan 8.230 nan 0.000 0.436 314 E N -0.702 119.367 120.200 -0.217 0.000 2.038 314 E HA -0.258 4.087 4.350 -0.007 0.000 0.195 314 E C 2.005 178.617 176.600 0.020 0.000 1.000 314 E CA 1.309 57.690 56.400 -0.031 0.000 0.803 314 E CB -0.258 29.494 29.700 0.086 0.000 0.750 314 E HN 0.473 nan 8.360 nan 0.000 0.448 315 N N 0.546 119.263 118.700 0.028 0.000 2.069 315 N HA -0.204 4.531 4.740 -0.007 0.000 0.191 315 N C 1.661 177.206 175.510 0.058 0.000 1.031 315 N CA 1.072 54.148 53.050 0.044 0.000 0.852 315 N CB 0.143 38.654 38.487 0.039 0.000 1.018 315 N HN 0.132 nan 8.380 nan 0.000 0.423 316 E N 0.633 120.878 120.200 0.076 0.000 2.152 316 E HA -0.064 4.282 4.350 -0.007 0.000 0.192 316 E C 1.895 178.616 176.600 0.202 0.000 0.983 316 E CA 0.624 57.126 56.400 0.170 0.000 0.818 316 E CB -0.279 29.565 29.700 0.239 0.000 0.758 316 E HN 0.440 nan 8.360 nan 0.000 0.467 317 A N 1.160 124.084 122.820 0.174 0.000 1.902 317 A HA -0.081 4.235 4.320 -0.007 0.000 0.217 317 A C 2.480 180.082 177.584 0.031 0.000 1.181 317 A CA 1.909 53.977 52.037 0.051 0.000 0.623 317 A CB -1.049 17.985 19.000 0.057 0.000 0.818 317 A HN 0.332 nan 8.150 nan 0.000 0.443 318 G N -0.735 108.092 108.800 0.046 0.000 2.421 318 G HA2 -0.241 3.715 3.960 -0.007 0.000 0.216 318 G HA3 -0.241 3.715 3.960 -0.007 0.000 0.216 318 G C 1.759 176.675 174.900 0.026 0.000 1.171 318 G CA 1.035 46.151 45.100 0.028 0.000 0.775 318 G HN 0.555 nan 8.290 nan 0.000 0.543 319 R N 0.016 120.543 120.500 0.046 0.000 2.070 319 R HA 0.030 4.366 4.340 -0.007 0.000 0.233 319 R C 2.601 178.935 176.300 0.056 0.000 1.137 319 R CA 1.321 57.448 56.100 0.046 0.000 0.945 319 R CB -0.347 29.990 30.300 0.063 0.000 0.845 319 R HN 0.413 nan 8.270 nan 0.000 0.430 320 I N 1.296 121.923 120.570 0.095 0.000 2.179 320 I HA -0.289 3.877 4.170 -0.007 0.000 0.242 320 I C 1.880 178.066 176.117 0.116 0.000 1.088 320 I CA 1.123 62.516 61.300 0.154 0.000 1.357 320 I CB -0.431 37.659 38.000 0.150 0.000 1.051 320 I HN 0.251 nan 8.210 nan 0.000 0.409 321 N N 1.155 119.869 118.700 0.023 0.000 2.166 321 N HA -0.120 4.616 4.740 -0.007 0.000 0.186 321 N C 1.907 177.396 175.510 -0.035 0.000 1.019 321 N CA 1.604 54.629 53.050 -0.041 0.000 0.856 321 N CB -0.680 37.757 38.487 -0.083 0.000 0.993 321 N HN 0.430 nan 8.380 nan 0.000 0.426 322 G N 0.774 109.560 108.800 -0.022 0.000 2.432 322 G HA2 -0.245 3.710 3.960 -0.007 0.000 0.219 322 G HA3 -0.245 3.710 3.960 -0.007 0.000 0.219 322 G C 1.653 176.514 174.900 -0.064 0.000 1.135 322 G CA 0.697 45.778 45.100 -0.032 0.000 0.767 322 G HN 0.323 nan 8.290 nan 0.000 0.550 323 K N -1.074 119.263 120.400 -0.105 0.000 2.067 323 K HA 0.080 4.396 4.320 -0.007 0.000 0.203 323 K C 1.720 178.083 176.600 -0.396 0.000 1.048 323 K CA 0.575 56.690 56.287 -0.287 0.000 0.954 323 K CB -0.023 32.225 32.500 -0.420 0.000 0.737 323 K HN 0.383 nan 8.250 nan 0.000 0.444 324 Y N -0.031 120.244 120.300 -0.042 0.000 2.458 324 Y HA 0.285 4.830 4.550 -0.009 0.000 0.254 324 Y C 1.083 176.948 175.900 -0.058 0.000 1.120 324 Y CA -0.169 57.895 58.100 -0.060 0.000 1.282 324 Y CB 0.457 38.831 38.460 -0.143 0.000 1.109 324 Y HN 0.026 nan 8.280 nan 0.000 0.526 325 G N 0.443 109.248 108.800 0.009 0.000 2.606 325 G HA2 0.439 4.395 3.960 -0.007 0.000 0.252 325 G HA3 0.439 4.395 3.960 -0.007 0.000 0.252 325 G C -0.447 174.519 174.900 0.110 0.000 1.206 325 G CA -0.309 44.769 45.100 -0.037 0.000 0.861 325 G HN 0.207 nan 8.290 nan 0.000 0.561 326 Q N -0.695 119.210 119.800 0.175 0.000 2.587 326 Q HA 0.358 4.693 4.340 -0.007 0.000 0.293 326 Q C 1.224 177.314 176.000 0.149 0.000 1.083 326 Q CA -1.008 54.915 55.803 0.200 0.000 0.792 326 Q CB 2.142 31.064 28.738 0.307 0.000 1.484 326 Q HN 0.348 nan 8.270 nan 0.000 0.446 327 L N -0.052 121.245 121.223 0.124 0.000 2.127 327 L HA -0.100 4.235 4.340 -0.007 0.000 0.211 327 L C 1.399 178.339 176.870 0.117 0.000 1.089 327 L CA 1.659 56.556 54.840 0.095 0.000 0.757 327 L CB -0.174 41.932 42.059 0.078 0.000 0.899 327 L HN 0.874 nan 8.230 nan 0.000 0.434 328 G N -2.714 106.187 108.800 0.168 0.000 3.651 328 G HA2 0.086 4.042 3.960 -0.007 0.000 0.279 328 G HA3 0.086 4.042 3.960 -0.007 0.000 0.279 328 G C -0.966 174.123 174.900 0.314 0.000 1.024 328 G CA -0.256 44.958 45.100 0.190 0.000 0.813 328 G HN 0.211 nan 8.290 nan 0.000 0.518 329 W N 1.357 122.709 121.300 0.087 0.000 3.216 329 W HA 0.544 5.203 4.660 -0.002 0.000 0.335 329 W C -1.215 175.377 176.519 0.121 0.000 1.077 329 W CA -0.826 56.587 57.345 0.112 0.000 1.252 329 W CB 1.234 30.756 29.460 0.103 0.000 1.312 329 W HN -0.116 nan 8.180 nan 0.000 0.446 330 T N 8.485 122.845 114.554 -0.323 0.000 2.753 330 T HA 0.219 4.564 4.350 -0.007 0.000 0.297 330 T C -1.706 172.599 174.700 -0.658 0.000 0.981 330 T CA -1.066 60.793 62.100 -0.401 0.000 0.956 330 T CB 1.630 70.392 68.868 -0.177 0.000 0.936 330 T HN 0.210 nan 8.240 nan 0.000 0.463 331 P HA 0.060 nan 4.420 nan 0.000 0.219 331 P C 0.167 177.479 177.300 0.019 0.000 1.150 331 P CA 0.485 63.207 63.100 -0.630 0.000 0.814 331 P CB 0.476 31.823 31.700 -0.589 0.000 0.787 332 L N -0.854 120.357 121.223 -0.019 0.000 2.376 332 L HA 0.436 4.772 4.340 -0.007 0.000 0.275 332 L C -1.264 175.593 176.870 -0.020 0.000 0.987 332 L CA -1.074 53.715 54.840 -0.086 0.000 0.828 332 L CB 1.259 43.208 42.059 -0.185 0.000 1.249 332 L HN -0.248 nan 8.230 nan 0.000 0.409 333 Y N 4.643 124.778 120.300 -0.276 0.000 2.342 333 Y HA 0.305 4.850 4.550 -0.008 0.000 0.338 333 Y C -0.700 175.099 175.900 -0.168 0.000 0.965 333 Y CA -0.490 57.513 58.100 -0.163 0.000 1.159 333 Y CB 1.117 39.513 38.460 -0.107 0.000 1.157 333 Y HN 0.432 nan 8.280 nan 0.000 0.486 334 Y N 4.811 125.042 120.300 -0.114 0.000 2.328 334 Y HA 0.695 5.240 4.550 -0.008 0.000 0.337 334 Y C -1.774 174.127 175.900 0.002 0.000 0.966 334 Y CA -1.574 56.486 58.100 -0.066 0.000 1.136 334 Y CB 0.751 39.222 38.460 0.018 0.000 1.170 334 Y HN 0.503 nan 8.280 nan 0.000 0.470 335 L N 7.220 128.170 121.223 -0.455 0.000 2.372 335 L HA 0.376 4.711 4.340 -0.007 0.000 0.274 335 L C -0.215 176.377 176.870 -0.464 0.000 0.988 335 L CA -0.527 54.091 54.840 -0.370 0.000 0.833 335 L CB 1.714 43.771 42.059 -0.004 0.000 1.236 335 L HN 0.743 nan 8.230 nan 0.000 0.410 336 N N 4.173 122.559 118.700 -0.524 0.000 3.234 336 N HA 0.257 4.992 4.740 -0.007 0.000 0.272 336 N C -0.981 174.471 175.510 -0.096 0.000 1.254 336 N CA -0.207 52.663 53.050 -0.299 0.000 1.087 336 N CB 0.523 38.846 38.487 -0.274 0.000 1.356 336 N HN 0.689 nan 8.380 nan 0.000 0.511 337 Q N 0.761 120.562 119.800 0.002 0.000 2.391 337 Q HA 0.128 4.463 4.340 -0.007 0.000 0.279 337 Q C -1.667 174.427 176.000 0.157 0.000 1.028 337 Q CA -0.819 55.008 55.803 0.040 0.000 0.836 337 Q CB 2.017 30.757 28.738 0.004 0.000 1.414 337 Q HN 0.454 nan 8.270 nan 0.000 0.397 338 H N 0.984 120.044 119.070 -0.018 0.000 2.580 338 H HA 0.490 5.041 4.556 -0.007 0.000 0.322 338 H C -1.526 173.761 175.328 -0.068 0.000 1.082 338 H CA 0.118 56.185 56.048 0.032 0.000 1.383 338 H CB 0.402 30.154 29.762 -0.017 0.000 1.450 338 H HN 0.343 nan 8.280 nan 0.000 0.505 339 F N 2.345 121.970 119.950 -0.541 0.000 2.522 339 F HA 0.177 4.700 4.527 -0.007 0.000 0.324 339 F C 0.498 175.971 175.800 -0.545 0.000 1.077 339 F CA -0.864 56.905 58.000 -0.386 0.000 0.944 339 F CB 1.235 40.116 39.000 -0.198 0.000 1.175 339 F HN 0.546 nan 8.300 nan 0.000 0.468 340 D N 2.138 122.455 120.400 -0.138 0.000 2.443 340 D HA 0.017 4.653 4.640 -0.007 0.000 0.239 340 D C 1.363 177.632 176.300 -0.052 0.000 1.136 340 D CA 0.258 54.206 54.000 -0.088 0.000 0.879 340 D CB 0.874 41.655 40.800 -0.033 0.000 1.195 340 D HN 0.580 nan 8.370 nan 0.000 0.443 341 R N 2.856 123.342 120.500 -0.025 0.000 2.117 341 R HA -0.181 4.155 4.340 -0.007 0.000 0.243 341 R C 1.800 178.078 176.300 -0.037 0.000 1.143 341 R CA 1.464 57.557 56.100 -0.012 0.000 0.968 341 R CB 0.175 30.499 30.300 0.039 0.000 0.863 341 R HN 0.476 nan 8.270 nan 0.000 0.444 342 K N 0.072 120.460 120.400 -0.020 0.000 2.025 342 K HA -0.162 4.153 4.320 -0.007 0.000 0.207 342 K C 2.058 178.630 176.600 -0.046 0.000 1.049 342 K CA 1.079 57.352 56.287 -0.022 0.000 0.933 342 K CB -0.267 32.229 32.500 -0.008 0.000 0.714 342 K HN 0.084 nan 8.250 nan 0.000 0.438 343 L N 1.579 122.781 121.223 -0.034 0.000 2.083 343 L HA -0.113 4.222 4.340 -0.007 0.000 0.209 343 L C 1.898 178.690 176.870 -0.129 0.000 1.083 343 L CA 1.404 56.226 54.840 -0.031 0.000 0.752 343 L CB -0.286 41.807 42.059 0.057 0.000 0.899 343 L HN 0.120 nan 8.230 nan 0.000 0.433 344 L N -1.456 119.650 121.223 -0.195 0.000 2.083 344 L HA -0.227 4.109 4.340 -0.007 0.000 0.209 344 L C 2.446 178.899 176.870 -0.694 0.000 1.083 344 L CA 0.933 55.496 54.840 -0.462 0.000 0.752 344 L CB -0.459 41.337 42.059 -0.437 0.000 0.899 344 L HN 0.310 nan 8.230 nan 0.000 0.433 345 M N -0.362 119.019 119.600 -0.366 0.000 2.117 345 M HA -0.212 4.264 4.480 -0.007 0.000 0.262 345 M C 2.142 178.369 176.300 -0.122 0.000 1.065 345 M CA 1.689 56.885 55.300 -0.173 0.000 1.114 345 M CB -1.062 31.529 32.600 -0.016 0.000 1.361 345 M HN 0.140 nan 8.290 nan 0.000 0.408 346 K N 0.136 120.465 120.400 -0.119 0.000 2.097 346 K HA -0.053 4.262 4.320 -0.007 0.000 0.206 346 K C 1.995 178.558 176.600 -0.062 0.000 1.049 346 K CA 1.093 57.347 56.287 -0.056 0.000 0.933 346 K CB -0.273 32.212 32.500 -0.026 0.000 0.717 346 K HN 0.287 nan 8.250 nan 0.000 0.442 347 I N 0.224 120.647 120.570 -0.245 0.000 2.252 347 I HA -0.240 3.926 4.170 -0.007 0.000 0.245 347 I C 1.840 177.579 176.117 -0.630 0.000 1.102 347 I CA 0.939 61.940 61.300 -0.498 0.000 1.385 347 I CB -0.279 37.212 38.000 -0.847 0.000 1.064 347 I HN -0.009 nan 8.210 nan 0.000 0.414 348 F N 1.169 120.853 119.950 -0.443 0.000 2.091 348 F HA -0.247 4.275 4.527 -0.008 0.000 0.299 348 F C 2.722 178.296 175.800 -0.376 0.000 1.103 348 F CA 1.483 59.311 58.000 -0.286 0.000 1.228 348 F CB -1.124 37.782 39.000 -0.156 0.000 0.984 348 F HN 0.028 nan 8.300 nan 0.000 0.477 349 R N -0.442 120.010 120.500 -0.081 0.000 2.075 349 R HA -0.222 4.113 4.340 -0.007 0.000 0.232 349 R C 2.405 178.667 176.300 -0.063 0.000 1.126 349 R CA 1.853 57.891 56.100 -0.103 0.000 0.963 349 R CB -0.671 29.605 30.300 -0.040 0.000 0.858 349 R HN 0.442 nan 8.270 nan 0.000 0.435 350 Y N 0.590 120.826 120.300 -0.107 0.000 2.457 350 Y HA 0.157 4.702 4.550 -0.008 0.000 0.292 350 Y C 0.739 176.602 175.900 -0.062 0.000 1.125 350 Y CA -0.049 57.997 58.100 -0.090 0.000 1.254 350 Y CB -0.445 37.954 38.460 -0.103 0.000 1.012 350 Y HN -0.021 nan 8.280 nan 0.000 0.555 351 S N 0.763 116.143 115.700 -0.533 0.000 2.584 351 S HA 0.018 4.484 4.470 -0.007 0.000 0.270 351 S C 0.537 175.127 174.600 -0.016 0.000 1.346 351 S CA -0.021 57.991 58.200 -0.313 0.000 1.018 351 S CB 0.801 63.897 63.200 -0.174 0.000 0.899 351 S HN 0.497 nan 8.310 nan 0.000 0.542 352 D N 0.372 120.796 120.400 0.040 0.000 2.355 352 D HA 0.187 4.822 4.640 -0.007 0.000 0.206 352 D C -0.139 176.229 176.300 0.114 0.000 1.010 352 D CA 0.650 54.692 54.000 0.071 0.000 0.875 352 D CB 0.537 41.364 40.800 0.045 0.000 0.966 352 D HN 0.355 nan 8.370 nan 0.000 0.512 353 V N 0.259 120.239 119.914 0.109 0.000 2.808 353 V HA 0.556 4.671 4.120 -0.007 0.000 0.308 353 V C -0.028 175.981 176.094 -0.141 0.000 1.099 353 V CA -1.118 61.188 62.300 0.009 0.000 0.920 353 V CB 2.183 33.972 31.823 -0.057 0.000 1.014 353 V HN 0.037 nan 8.190 nan 0.000 0.425 354 G N 3.476 111.919 108.800 -0.595 0.000 2.370 354 G HA2 0.621 4.577 3.960 -0.007 0.000 0.317 354 G HA3 0.621 4.577 3.960 -0.007 0.000 0.317 354 G C -0.990 173.587 174.900 -0.539 0.000 1.162 354 G CA -0.420 44.049 45.100 -1.052 0.000 0.922 354 G HN 0.621 nan 8.290 nan 0.000 0.454 355 L N 3.983 125.011 121.223 -0.325 0.000 2.283 355 L HA 0.458 4.793 4.340 -0.007 0.000 0.281 355 L C -0.759 176.009 176.870 -0.169 0.000 1.033 355 L CA -0.639 54.062 54.840 -0.232 0.000 0.848 355 L CB 1.366 43.279 42.059 -0.244 0.000 1.226 355 L HN 0.204 nan 8.230 nan 0.000 0.429 356 V N 3.178 122.997 119.914 -0.158 0.000 2.276 356 V HA 0.232 4.348 4.120 -0.007 0.000 0.268 356 V C 0.379 176.437 176.094 -0.060 0.000 1.032 356 V CA -0.326 61.918 62.300 -0.095 0.000 0.810 356 V CB 1.164 32.926 31.823 -0.100 0.000 1.060 356 V HN 0.809 nan 8.190 nan 0.000 0.446 357 T N 1.497 116.026 114.554 -0.042 0.000 3.514 357 T HA 0.363 4.709 4.350 -0.007 0.000 0.259 357 T C -2.271 172.425 174.700 -0.007 0.000 1.466 357 T CA -1.653 60.430 62.100 -0.028 0.000 1.562 357 T CB 0.788 69.626 68.868 -0.051 0.000 0.924 357 T HN 0.388 nan 8.240 nan 0.000 0.678 358 P HA 0.169 nan 4.420 nan 0.000 0.270 358 P C 0.554 177.881 177.300 0.045 0.000 1.223 358 P CA -0.573 62.544 63.100 0.028 0.000 0.785 358 P CB 1.036 32.771 31.700 0.058 0.000 0.923 359 L N 0.645 121.861 121.223 -0.012 0.000 2.179 359 L HA 0.112 4.448 4.340 -0.007 0.000 0.208 359 L C 1.284 178.128 176.870 -0.043 0.000 1.096 359 L CA 1.544 56.334 54.840 -0.083 0.000 0.779 359 L CB -1.200 40.790 42.059 -0.116 0.000 0.922 359 L HN 0.503 nan 8.230 nan 0.000 0.443 360 R N -0.967 119.566 120.500 0.054 0.000 2.536 360 R HA 0.431 4.767 4.340 -0.007 0.000 0.269 360 R C -1.774 174.636 176.300 0.183 0.000 1.113 360 R CA -0.292 55.877 56.100 0.115 0.000 0.948 360 R CB 1.368 31.733 30.300 0.108 0.000 1.237 360 R HN -0.201 nan 8.270 nan 0.000 0.441 361 D N 1.667 122.176 120.400 0.182 0.000 2.966 361 D HA 0.265 4.900 4.640 -0.007 0.000 0.222 361 D C 0.845 177.246 176.300 0.169 0.000 1.292 361 D CA -0.010 54.101 54.000 0.185 0.000 0.907 361 D CB 2.017 42.907 40.800 0.149 0.000 1.621 361 D HN 0.556 nan 8.370 nan 0.000 0.557 362 G N 2.317 111.226 108.800 0.182 0.000 2.556 362 G HA2 -0.267 3.688 3.960 -0.007 0.000 0.220 362 G HA3 -0.267 3.688 3.960 -0.007 0.000 0.220 362 G C 0.995 176.005 174.900 0.183 0.000 1.156 362 G CA 1.963 47.169 45.100 0.177 0.000 0.766 362 G HN 0.456 nan 8.290 nan 0.000 0.583 363 M N -2.537 117.172 119.600 0.181 0.000 1.808 363 M HA 0.289 4.765 4.480 -0.007 0.000 0.178 363 M C -0.295 176.080 176.300 0.125 0.000 1.561 363 M CA 0.367 55.758 55.300 0.152 0.000 0.862 363 M CB 0.311 33.004 32.600 0.156 0.000 1.567 363 M HN 0.178 nan 8.290 nan 0.000 0.599 364 N N 1.368 120.150 118.700 0.136 0.000 2.438 364 N HA -0.119 4.616 4.740 -0.007 0.000 0.279 364 N C -0.084 175.482 175.510 0.093 0.000 1.343 364 N CA 0.566 53.685 53.050 0.116 0.000 0.632 364 N CB -0.874 37.668 38.487 0.091 0.000 0.902 364 N HN 0.559 nan 8.380 nan 0.000 0.518 365 L N 2.162 123.447 121.223 0.104 0.000 2.201 365 L HA -0.099 4.237 4.340 -0.007 0.000 0.212 365 L C 2.341 179.271 176.870 0.100 0.000 1.105 365 L CA 0.914 55.808 54.840 0.090 0.000 0.775 365 L CB -0.160 41.955 42.059 0.094 0.000 0.913 365 L HN 0.379 nan 8.230 nan 0.000 0.440 366 V N 0.502 120.487 119.914 0.118 0.000 2.332 366 V HA -0.341 3.774 4.120 -0.007 0.000 0.248 366 V C 2.823 178.909 176.094 -0.015 0.000 1.055 366 V CA 1.903 64.272 62.300 0.116 0.000 1.038 366 V CB -0.838 31.076 31.823 0.153 0.000 0.651 366 V HN 0.510 nan 8.190 nan 0.000 0.450 367 A N -0.293 122.526 122.820 -0.002 0.000 1.908 367 A HA -0.256 4.060 4.320 -0.007 0.000 0.218 367 A C 2.303 179.895 177.584 0.013 0.000 1.181 367 A CA 2.067 54.091 52.037 -0.021 0.000 0.627 367 A CB -0.398 18.598 19.000 -0.006 0.000 0.818 367 A HN 0.572 nan 8.150 nan 0.000 0.445 368 K N -0.589 119.828 120.400 0.029 0.000 2.103 368 K HA -0.086 4.229 4.320 -0.007 0.000 0.204 368 K C 1.939 178.563 176.600 0.041 0.000 1.052 368 K CA 1.307 57.614 56.287 0.034 0.000 0.945 368 K CB -0.156 32.366 32.500 0.038 0.000 0.722 368 K HN 0.608 nan 8.250 nan 0.000 0.443 369 E N 0.248 120.484 120.200 0.060 0.000 2.077 369 E HA -0.219 4.127 4.350 -0.007 0.000 0.193 369 E C 1.858 178.468 176.600 0.016 0.000 0.989 369 E CA 1.191 57.659 56.400 0.113 0.000 0.800 369 E CB -0.173 29.692 29.700 0.275 0.000 0.746 369 E HN 0.297 nan 8.360 nan 0.000 0.452 370 Y N 1.040 121.120 120.300 -0.367 0.000 2.128 370 Y HA -0.261 4.284 4.550 -0.008 0.000 0.284 370 Y C 2.329 178.143 175.900 -0.144 0.000 1.154 370 Y CA 1.673 59.432 58.100 -0.569 0.000 1.149 370 Y CB -0.243 37.829 38.460 -0.646 0.000 0.976 370 Y HN 0.002 nan 8.280 nan 0.000 0.505 371 V N 0.027 119.957 119.914 0.025 0.000 2.427 371 V HA -0.115 4.001 4.120 -0.007 0.000 0.248 371 V C 2.191 178.337 176.094 0.087 0.000 1.051 371 V CA 1.866 64.203 62.300 0.062 0.000 1.048 371 V CB -1.330 30.516 31.823 0.038 0.000 0.666 371 V HN 0.437 nan 8.190 nan 0.000 0.456 372 A N 0.462 123.307 122.820 0.042 0.000 1.972 372 A HA 0.122 4.438 4.320 -0.007 0.000 0.219 372 A C 2.416 180.044 177.584 0.073 0.000 1.169 372 A CA 2.057 54.133 52.037 0.066 0.000 0.635 372 A CB -0.966 18.070 19.000 0.059 0.000 0.810 372 A HN 1.098 nan 8.150 nan 0.000 0.446 373 A N -1.281 121.558 122.820 0.032 0.000 2.119 373 A HA 0.118 4.433 4.320 -0.007 0.000 0.216 373 A C 1.024 178.569 177.584 -0.065 0.000 1.152 373 A CA 0.165 52.211 52.037 0.015 0.000 0.708 373 A CB -0.134 18.922 19.000 0.093 0.000 0.805 373 A HN 0.470 nan 8.150 nan 0.000 0.460 374 Q N 1.174 120.901 119.800 -0.122 0.000 2.364 374 Q HA 0.084 4.419 4.340 -0.007 0.000 0.267 374 Q C -0.558 175.322 176.000 -0.201 0.000 0.999 374 Q CA -0.136 55.522 55.803 -0.241 0.000 0.886 374 Q CB 0.358 28.846 28.738 -0.417 0.000 1.243 374 Q HN 0.387 nan 8.270 nan 0.000 0.415 375 D N 3.815 124.104 120.400 -0.185 0.000 2.389 375 D HA -0.004 4.631 4.640 -0.007 0.000 0.263 375 D C -1.504 174.655 176.300 -0.234 0.000 1.255 375 D CA -1.523 52.389 54.000 -0.146 0.000 0.914 375 D CB 0.819 41.561 40.800 -0.098 0.000 1.116 375 D HN 0.203 nan 8.370 nan 0.000 0.502 376 P HA -0.091 nan 4.420 nan 0.000 0.223 376 P C 0.831 178.071 177.300 -0.101 0.000 1.151 376 P CA 0.623 63.617 63.100 -0.176 0.000 0.787 376 P CB 0.198 31.917 31.700 0.032 0.000 0.788 377 A N -0.578 122.199 122.820 -0.073 0.000 2.067 377 A HA -0.045 4.271 4.320 -0.007 0.000 0.217 377 A C 1.366 178.916 177.584 -0.056 0.000 1.156 377 A CA 0.985 52.994 52.037 -0.047 0.000 0.683 377 A CB -0.733 18.249 19.000 -0.029 0.000 0.808 377 A HN 0.192 nan 8.150 nan 0.000 0.455 378 N N -0.530 118.117 118.700 -0.089 0.000 2.700 378 N HA 0.226 4.962 4.740 -0.007 0.000 0.242 378 N C -3.377 172.063 175.510 -0.116 0.000 1.541 378 N CA -1.515 51.489 53.050 -0.076 0.000 0.764 378 N CB 1.136 39.595 38.487 -0.045 0.000 1.319 378 N HN 0.044 nan 8.380 nan 0.000 0.518 379 P HA 0.357 nan 4.420 nan 0.000 0.286 379 P C 0.620 177.866 177.300 -0.090 0.000 1.261 379 P CA -0.116 62.838 63.100 -0.243 0.000 0.821 379 P CB 1.129 32.541 31.700 -0.481 0.000 1.013 380 G N 0.780 109.545 108.800 -0.059 0.000 2.653 380 G HA2 0.424 4.380 3.960 -0.007 0.000 0.265 380 G HA3 0.424 4.380 3.960 -0.007 0.000 0.265 380 G C -0.768 174.247 174.900 0.192 0.000 1.237 380 G CA -0.449 44.707 45.100 0.094 0.000 0.946 380 G HN 0.376 nan 8.290 nan 0.000 0.522 381 V N 0.372 120.409 119.914 0.205 0.000 2.513 381 V HA 0.348 4.463 4.120 -0.007 0.000 0.299 381 V C -0.344 175.795 176.094 0.076 0.000 1.035 381 V CA -0.752 61.629 62.300 0.135 0.000 0.889 381 V CB 1.510 33.360 31.823 0.045 0.000 0.988 381 V HN 0.591 nan 8.190 nan 0.000 0.440 382 L N 6.211 127.466 121.223 0.053 0.000 2.260 382 L HA 0.536 4.871 4.340 -0.007 0.000 0.289 382 L C -0.288 176.522 176.870 -0.100 0.000 1.057 382 L CA 0.260 55.041 54.840 -0.097 0.000 0.811 382 L CB 1.357 43.410 42.059 -0.010 0.000 1.184 382 L HN 0.460 nan 8.230 nan 0.000 0.429 383 V N 6.790 126.610 119.914 -0.157 0.000 2.364 383 V HA 0.437 4.553 4.120 -0.007 0.000 0.272 383 V C -0.242 175.777 176.094 -0.124 0.000 1.036 383 V CA -0.468 61.757 62.300 -0.125 0.000 0.880 383 V CB 1.207 32.947 31.823 -0.137 0.000 0.991 383 V HN 0.662 nan 8.190 nan 0.000 0.460 384 L N 4.752 125.921 121.223 -0.090 0.000 2.401 384 L HA 0.671 5.007 4.340 -0.007 0.000 0.266 384 L C 0.102 176.931 176.870 -0.068 0.000 0.991 384 L CA 0.109 54.904 54.840 -0.075 0.000 0.818 384 L CB 2.357 44.380 42.059 -0.060 0.000 1.321 384 L HN 0.616 nan 8.230 nan 0.000 0.413 385 S N 2.410 118.080 115.700 -0.050 0.000 2.565 385 S HA 0.172 4.637 4.470 -0.007 0.000 0.276 385 S C 0.947 175.484 174.600 -0.105 0.000 1.326 385 S CA 0.285 58.455 58.200 -0.050 0.000 1.045 385 S CB 0.810 64.030 63.200 0.033 0.000 0.918 385 S HN 0.821 nan 8.310 nan 0.000 0.505 386 Q N 3.068 122.715 119.800 -0.254 0.000 2.364 386 Q HA -0.066 4.269 4.340 -0.007 0.000 0.207 386 Q C 0.359 176.110 176.000 -0.414 0.000 0.970 386 Q CA 1.410 56.994 55.803 -0.365 0.000 0.888 386 Q CB -0.405 28.026 28.738 -0.511 0.000 0.951 386 Q HN 0.803 nan 8.270 nan 0.000 0.469 387 F N 1.254 121.200 119.950 -0.006 0.000 2.765 387 F HA 0.376 4.898 4.527 -0.007 0.000 0.302 387 F C 0.952 176.755 175.800 0.004 0.000 1.111 387 F CA -0.369 57.625 58.000 -0.010 0.000 1.359 387 F CB 0.105 39.100 39.000 -0.009 0.000 1.097 387 F HN 0.054 nan 8.300 nan 0.000 0.577 388 A N 0.225 123.114 122.820 0.115 0.000 2.331 388 A HA 0.544 4.860 4.320 -0.007 0.000 0.283 388 A C 1.708 179.339 177.584 0.079 0.000 1.142 388 A CA 0.151 52.246 52.037 0.097 0.000 0.812 388 A CB 0.337 19.375 19.000 0.063 0.000 1.074 388 A HN 0.392 nan 8.150 nan 0.000 0.497 389 G N 1.422 110.283 108.800 0.102 0.000 2.470 389 G HA2 0.014 3.969 3.960 -0.007 0.000 0.220 389 G HA3 0.014 3.969 3.960 -0.007 0.000 0.220 389 G C 1.351 176.302 174.900 0.084 0.000 1.121 389 G CA 1.243 46.404 45.100 0.102 0.000 0.766 389 G HN 1.196 nan 8.290 nan 0.000 0.553 390 A N 0.878 123.742 122.820 0.072 0.000 2.121 390 A HA 0.375 4.690 4.320 -0.007 0.000 0.218 390 A C 2.666 180.269 177.584 0.032 0.000 1.154 390 A CA 1.727 53.797 52.037 0.055 0.000 0.679 390 A CB -0.416 18.612 19.000 0.046 0.000 0.795 390 A HN 0.673 nan 8.150 nan 0.000 0.458 391 A N 0.381 123.212 122.820 0.018 0.000 2.067 391 A HA -0.144 4.171 4.320 -0.007 0.000 0.219 391 A C 1.789 179.372 177.584 -0.002 0.000 1.158 391 A CA 1.351 53.383 52.037 -0.008 0.000 0.661 391 A CB -0.508 18.468 19.000 -0.040 0.000 0.801 391 A HN 0.571 nan 8.150 nan 0.000 0.452 392 N N 0.426 119.137 118.700 0.018 0.000 2.309 392 N HA -0.149 4.587 4.740 -0.007 0.000 0.182 392 N C 1.622 177.147 175.510 0.026 0.000 1.018 392 N CA 1.622 54.686 53.050 0.022 0.000 0.876 392 N CB -0.146 38.367 38.487 0.042 0.000 0.972 392 N HN 0.901 nan 8.380 nan 0.000 0.434 393 E N 0.105 120.324 120.200 0.032 0.000 2.340 393 E HA 0.058 4.404 4.350 -0.007 0.000 0.198 393 E C 0.514 177.122 176.600 0.014 0.000 0.961 393 E CA 0.032 56.449 56.400 0.030 0.000 0.905 393 E CB -0.049 29.679 29.700 0.047 0.000 0.884 393 E HN 0.156 nan 8.360 nan 0.000 0.491 394 L N 2.704 123.932 121.223 0.008 0.000 2.536 394 L HA 0.219 4.555 4.340 -0.007 0.000 0.242 394 L C 0.945 177.809 176.870 -0.009 0.000 1.280 394 L CA -0.198 54.641 54.840 -0.002 0.000 1.221 394 L CB 0.322 42.380 42.059 -0.001 0.000 1.449 394 L HN 0.089 nan 8.230 nan 0.000 0.405 395 T N -0.995 113.554 114.554 -0.008 0.000 2.995 395 T HA -0.080 4.266 4.350 -0.007 0.000 0.269 395 T C 1.735 176.427 174.700 -0.012 0.000 1.091 395 T CA 1.177 63.270 62.100 -0.011 0.000 1.128 395 T CB 0.198 69.062 68.868 -0.007 0.000 0.891 395 T HN 0.417 nan 8.240 nan 0.000 0.492 396 S N 1.151 116.846 115.700 -0.010 0.000 2.631 396 S HA 0.472 4.938 4.470 -0.007 0.000 0.217 396 S C 0.856 175.455 174.600 -0.002 0.000 0.958 396 S CA -0.367 57.830 58.200 -0.005 0.000 0.920 396 S CB 0.009 63.207 63.200 -0.003 0.000 0.776 396 S HN 0.577 nan 8.310 nan 0.000 0.517 397 A N 1.398 124.213 122.820 -0.008 0.000 2.346 397 A HA 0.473 4.789 4.320 -0.007 0.000 0.252 397 A C -0.099 177.472 177.584 -0.023 0.000 1.089 397 A CA -0.322 51.707 52.037 -0.013 0.000 0.797 397 A CB 0.022 19.008 19.000 -0.023 0.000 1.047 397 A HN 0.242 nan 8.150 nan 0.000 0.494 398 L N 2.410 123.615 121.223 -0.031 0.000 2.363 398 L HA 0.181 4.517 4.340 -0.007 0.000 0.286 398 L C -0.063 176.777 176.870 -0.051 0.000 1.106 398 L CA -0.027 54.789 54.840 -0.039 0.000 0.859 398 L CB -0.366 41.667 42.059 -0.043 0.000 1.223 398 L HN 0.364 nan 8.230 nan 0.000 0.446 399 I N 4.878 125.417 120.570 -0.051 0.000 2.441 399 I HA 0.379 4.544 4.170 -0.007 0.000 0.287 399 I C 0.413 176.488 176.117 -0.071 0.000 1.049 399 I CA -0.271 60.989 61.300 -0.067 0.000 1.381 399 I CB 1.296 39.253 38.000 -0.072 0.000 1.409 399 I HN 0.308 nan 8.210 nan 0.000 0.523 400 V N 3.122 122.987 119.914 -0.082 0.000 3.078 400 V HA 0.560 4.675 4.120 -0.007 0.000 0.311 400 V C -0.510 175.538 176.094 -0.076 0.000 1.138 400 V CA -1.074 61.187 62.300 -0.065 0.000 1.007 400 V CB 2.119 33.912 31.823 -0.050 0.000 1.045 400 V HN 0.789 nan 8.190 nan 0.000 0.432 401 N N 2.925 121.609 118.700 -0.025 0.000 2.462 401 N HA 0.467 5.203 4.740 -0.007 0.000 0.242 401 N C -1.743 173.820 175.510 0.088 0.000 1.010 401 N CA -1.906 51.178 53.050 0.056 0.000 0.939 401 N CB 2.000 40.555 38.487 0.114 0.000 1.127 401 N HN 0.614 nan 8.380 nan 0.000 0.509 402 P HA -0.134 nan 4.420 nan 0.000 0.225 402 P C 0.230 177.443 177.300 -0.145 0.000 1.148 402 P CA 1.067 64.123 63.100 -0.074 0.000 0.779 402 P CB -0.052 31.566 31.700 -0.137 0.000 0.780 403 Y N -0.210 120.162 120.300 0.119 0.000 2.616 403 Y HA -0.013 4.532 4.550 -0.008 0.000 0.296 403 Y C 1.083 177.020 175.900 0.061 0.000 1.154 403 Y CA 0.440 58.586 58.100 0.077 0.000 1.325 403 Y CB -0.337 38.170 38.460 0.078 0.000 1.007 403 Y HN -0.054 nan 8.280 nan 0.000 0.542 404 D N 0.468 120.966 120.400 0.163 0.000 2.479 404 D HA 0.076 4.711 4.640 -0.007 0.000 0.247 404 D C 1.202 177.544 176.300 0.071 0.000 1.119 404 D CA -0.395 53.671 54.000 0.110 0.000 0.922 404 D CB 0.376 41.235 40.800 0.098 0.000 1.014 404 D HN 0.259 nan 8.370 nan 0.000 0.510 405 R N 2.042 122.582 120.500 0.067 0.000 2.127 405 R HA -0.142 4.194 4.340 -0.007 0.000 0.238 405 R C 0.193 176.526 176.300 0.056 0.000 1.134 405 R CA 0.972 57.102 56.100 0.052 0.000 0.975 405 R CB -0.145 30.190 30.300 0.059 0.000 0.865 405 R HN 0.155 nan 8.270 nan 0.000 0.447 406 D N 1.032 121.474 120.400 0.070 0.000 2.178 406 D HA -0.146 4.490 4.640 -0.007 0.000 0.202 406 D C 1.795 178.143 176.300 0.080 0.000 0.974 406 D CA 1.173 55.227 54.000 0.090 0.000 0.841 406 D CB -0.154 40.699 40.800 0.088 0.000 0.953 406 D HN 0.539 nan 8.370 nan 0.000 0.478 407 E N 0.566 120.800 120.200 0.057 0.000 2.072 407 E HA -0.121 4.224 4.350 -0.007 0.000 0.191 407 E C 1.994 178.601 176.600 0.010 0.000 0.985 407 E CA 0.655 57.077 56.400 0.038 0.000 0.801 407 E CB 0.239 29.959 29.700 0.033 0.000 0.750 407 E HN -0.013 nan 8.360 nan 0.000 0.452 408 V N 1.437 121.353 119.914 0.003 0.000 2.343 408 V HA -0.268 3.847 4.120 -0.007 0.000 0.247 408 V C 2.520 178.582 176.094 -0.053 0.000 1.051 408 V CA 1.821 64.102 62.300 -0.031 0.000 1.036 408 V CB -0.859 30.943 31.823 -0.035 0.000 0.654 408 V HN 0.437 nan 8.190 nan 0.000 0.451 409 A N 0.089 122.894 122.820 -0.026 0.000 1.902 409 A HA -0.122 4.194 4.320 -0.007 0.000 0.217 409 A C 2.416 179.892 177.584 -0.181 0.000 1.181 409 A CA 2.113 54.108 52.037 -0.071 0.000 0.623 409 A CB -0.776 18.252 19.000 0.047 0.000 0.818 409 A HN 0.583 nan 8.150 nan 0.000 0.443 410 A N -0.303 122.483 122.820 -0.056 0.000 1.969 410 A HA 0.206 4.522 4.320 -0.007 0.000 0.218 410 A C 2.448 179.975 177.584 -0.096 0.000 1.169 410 A CA 1.884 53.891 52.037 -0.050 0.000 0.635 410 A CB -0.851 18.199 19.000 0.084 0.000 0.810 410 A HN 1.008 nan 8.150 nan 0.000 0.445 411 A N -0.228 122.544 122.820 -0.080 0.000 1.898 411 A HA -0.000 4.315 4.320 -0.007 0.000 0.216 411 A C 2.149 179.663 177.584 -0.116 0.000 1.181 411 A CA 1.389 53.378 52.037 -0.080 0.000 0.620 411 A CB -0.538 18.420 19.000 -0.070 0.000 0.819 411 A HN 0.461 nan 8.150 nan 0.000 0.442 412 L N -0.629 120.499 121.223 -0.158 0.000 2.046 412 L HA -0.204 4.131 4.340 -0.007 0.000 0.208 412 L C 2.425 179.156 176.870 -0.230 0.000 1.077 412 L CA 1.844 56.572 54.840 -0.186 0.000 0.747 412 L CB -0.554 41.391 42.059 -0.190 0.000 0.896 412 L HN 0.518 nan 8.230 nan 0.000 0.432 413 D N 0.041 120.250 120.400 -0.317 0.000 2.104 413 D HA -0.262 4.374 4.640 -0.007 0.000 0.194 413 D C 2.321 178.567 176.300 -0.091 0.000 0.994 413 D CA 1.323 55.162 54.000 -0.267 0.000 0.830 413 D CB 0.035 40.528 40.800 -0.512 0.000 0.959 413 D HN 0.054 nan 8.370 nan 0.000 0.452 414 R N -0.136 120.317 120.500 -0.079 0.000 2.081 414 R HA -0.117 4.218 4.340 -0.007 0.000 0.235 414 R C 2.176 178.460 176.300 -0.025 0.000 1.131 414 R CA 1.448 57.532 56.100 -0.026 0.000 0.960 414 R CB -0.387 29.901 30.300 -0.021 0.000 0.856 414 R HN 0.226 nan 8.270 nan 0.000 0.436 415 A N 1.197 123.986 122.820 -0.051 0.000 1.902 415 A HA -0.130 4.186 4.320 -0.007 0.000 0.217 415 A C 2.186 179.751 177.584 -0.031 0.000 1.181 415 A CA 1.300 53.313 52.037 -0.040 0.000 0.623 415 A CB -0.582 18.381 19.000 -0.062 0.000 0.818 415 A HN 0.374 nan 8.150 nan 0.000 0.443 416 L N -0.074 121.112 121.223 -0.062 0.000 2.353 416 L HA -0.103 4.232 4.340 -0.007 0.000 0.220 416 L C 2.053 178.939 176.870 0.026 0.000 1.133 416 L CA 1.530 56.342 54.840 -0.047 0.000 0.798 416 L CB -0.344 41.614 42.059 -0.170 0.000 0.922 416 L HN 0.660 nan 8.230 nan 0.000 0.445 417 T N -4.958 109.618 114.554 0.036 0.000 3.084 417 T HA 0.211 4.556 4.350 -0.007 0.000 0.270 417 T C 0.422 175.142 174.700 0.034 0.000 1.008 417 T CA -0.349 61.784 62.100 0.054 0.000 0.900 417 T CB 0.099 69.011 68.868 0.074 0.000 1.084 417 T HN 0.024 nan 8.240 nan 0.000 0.538 418 M N 3.927 123.541 119.600 0.023 0.000 2.200 418 M HA 0.358 4.834 4.480 -0.007 0.000 0.355 418 M C 0.461 176.773 176.300 0.020 0.000 1.283 418 M CA -0.404 54.908 55.300 0.019 0.000 1.124 418 M CB 0.704 33.314 32.600 0.016 0.000 1.625 418 M HN 0.422 nan 8.290 nan 0.000 0.463 419 S N 4.313 120.024 115.700 0.019 0.000 2.563 419 S HA -0.021 4.444 4.470 -0.007 0.000 0.284 419 S C 0.935 175.544 174.600 0.015 0.000 1.331 419 S CA -0.717 57.493 58.200 0.016 0.000 1.047 419 S CB 0.746 63.955 63.200 0.015 0.000 0.859 419 S HN 0.866 nan 8.310 nan 0.000 0.514 420 L N 3.074 124.305 121.223 0.012 0.000 2.021 420 L HA -0.105 4.230 4.340 -0.007 0.000 0.215 420 L C 2.689 179.566 176.870 0.012 0.000 1.074 420 L CA 2.641 57.486 54.840 0.009 0.000 0.760 420 L CB -1.730 40.332 42.059 0.005 0.000 0.889 420 L HN 0.989 nan 8.230 nan 0.000 0.433 421 A N -0.994 121.833 122.820 0.013 0.000 1.884 421 A HA -0.337 3.979 4.320 -0.007 0.000 0.219 421 A C 2.360 179.956 177.584 0.020 0.000 1.197 421 A CA 2.225 54.271 52.037 0.015 0.000 0.637 421 A CB -0.908 18.100 19.000 0.013 0.000 0.827 421 A HN 0.644 nan 8.150 nan 0.000 0.450 422 E N -0.679 119.533 120.200 0.020 0.000 2.072 422 E HA -0.192 4.153 4.350 -0.007 0.000 0.191 422 E C 2.323 178.943 176.600 0.033 0.000 0.985 422 E CA 0.911 57.325 56.400 0.023 0.000 0.801 422 E CB -0.087 29.625 29.700 0.020 0.000 0.750 422 E HN 0.592 nan 8.360 nan 0.000 0.452 423 R N 0.114 120.633 120.500 0.032 0.000 2.105 423 R HA -0.153 4.183 4.340 -0.007 0.000 0.239 423 R C 2.303 178.641 176.300 0.064 0.000 1.135 423 R CA 1.135 57.261 56.100 0.043 0.000 0.967 423 R CB -0.209 30.106 30.300 0.026 0.000 0.861 423 R HN 0.256 nan 8.270 nan 0.000 0.442 424 I N 0.258 120.857 120.570 0.047 0.000 2.163 424 I HA -0.222 3.944 4.170 -0.007 0.000 0.240 424 I C 2.509 178.679 176.117 0.087 0.000 1.081 424 I CA 1.274 62.613 61.300 0.064 0.000 1.353 424 I CB -1.440 36.583 38.000 0.037 0.000 1.054 424 I HN 0.098 nan 8.210 nan 0.000 0.407 425 S N 0.491 116.225 115.700 0.056 0.000 2.365 425 S HA -0.215 4.250 4.470 -0.007 0.000 0.225 425 S C 2.252 176.879 174.600 0.046 0.000 1.039 425 S CA 1.543 59.769 58.200 0.043 0.000 1.033 425 S CB -0.071 63.147 63.200 0.029 0.000 0.887 425 S HN 0.356 nan 8.310 nan 0.000 0.447 426 R N -0.435 120.098 120.500 0.055 0.000 2.062 426 R HA -0.044 4.292 4.340 -0.007 0.000 0.229 426 R C 2.571 178.905 176.300 0.058 0.000 1.128 426 R CA 1.437 57.566 56.100 0.048 0.000 0.960 426 R CB -0.682 29.648 30.300 0.050 0.000 0.855 426 R HN 0.598 nan 8.270 nan 0.000 0.432 427 H N 0.669 119.747 119.070 0.013 0.000 2.319 427 H HA -0.086 4.465 4.556 -0.007 0.000 0.299 427 H C 1.731 177.063 175.328 0.006 0.000 1.092 427 H CA 1.960 58.015 56.048 0.011 0.000 1.302 427 H CB 0.069 29.834 29.762 0.004 0.000 1.373 427 H HN 0.244 nan 8.280 nan 0.000 0.497 428 A N 0.760 123.600 122.820 0.032 0.000 1.972 428 A HA -0.185 4.131 4.320 -0.007 0.000 0.219 428 A C 2.423 179.965 177.584 -0.071 0.000 1.169 428 A CA 1.680 53.706 52.037 -0.019 0.000 0.635 428 A CB -0.567 18.468 19.000 0.058 0.000 0.810 428 A HN 0.704 nan 8.150 nan 0.000 0.446 429 E N -0.475 119.697 120.200 -0.047 0.000 2.047 429 E HA -0.168 4.177 4.350 -0.007 0.000 0.191 429 E C 2.022 178.583 176.600 -0.066 0.000 0.987 429 E CA 1.381 57.757 56.400 -0.041 0.000 0.799 429 E CB -0.220 29.469 29.700 -0.017 0.000 0.752 429 E HN 0.644 nan 8.360 nan 0.000 0.449 430 M N 0.136 119.678 119.600 -0.096 0.000 2.175 430 M HA -0.111 4.364 4.480 -0.007 0.000 0.264 430 M C 2.359 178.577 176.300 -0.137 0.000 1.063 430 M CA 0.739 55.979 55.300 -0.099 0.000 1.119 430 M CB -0.136 32.410 32.600 -0.091 0.000 1.377 430 M HN 0.230 nan 8.290 nan 0.000 0.415 431 L N 0.801 121.877 121.223 -0.245 0.000 2.056 431 L HA -0.188 4.147 4.340 -0.007 0.000 0.207 431 L C 1.835 178.644 176.870 -0.102 0.000 1.078 431 L CA 2.104 56.811 54.840 -0.223 0.000 0.749 431 L CB -0.689 41.173 42.059 -0.328 0.000 0.901 431 L HN 0.231 nan 8.230 nan 0.000 0.433 432 D N -1.223 119.128 120.400 -0.082 0.000 2.117 432 D HA -0.179 4.457 4.640 -0.007 0.000 0.197 432 D C 2.083 178.363 176.300 -0.033 0.000 0.987 432 D CA 1.501 55.475 54.000 -0.044 0.000 0.829 432 D CB 0.021 40.801 40.800 -0.033 0.000 0.961 432 D HN 0.207 nan 8.370 nan 0.000 0.460 433 V N 1.475 121.370 119.914 -0.033 0.000 2.358 433 V HA -0.192 3.923 4.120 -0.007 0.000 0.246 433 V C 2.489 178.583 176.094 0.000 0.000 1.047 433 V CA 1.673 63.965 62.300 -0.013 0.000 1.035 433 V CB -0.691 31.128 31.823 -0.007 0.000 0.658 433 V HN 0.474 nan 8.190 nan 0.000 0.452 434 I N -1.885 118.680 120.570 -0.008 0.000 2.761 434 I HA -0.048 4.117 4.170 -0.007 0.000 0.261 434 I C 2.115 178.244 176.117 0.020 0.000 1.198 434 I CA 1.151 62.459 61.300 0.013 0.000 1.482 434 I CB -0.309 37.695 38.000 0.006 0.000 1.100 434 I HN 0.087 nan 8.210 nan 0.000 0.445 435 V N 1.936 121.851 119.914 0.001 0.000 2.407 435 V HA -0.140 3.976 4.120 -0.007 0.000 0.245 435 V C 2.608 178.699 176.094 -0.004 0.000 1.041 435 V CA 1.722 64.025 62.300 0.005 0.000 1.040 435 V CB -0.616 31.205 31.823 -0.004 0.000 0.671 435 V HN 0.409 nan 8.190 nan 0.000 0.455 436 K N 0.275 120.660 120.400 -0.025 0.000 2.167 436 K HA -0.048 4.267 4.320 -0.007 0.000 0.203 436 K C 0.952 177.478 176.600 -0.125 0.000 1.052 436 K CA 0.903 57.141 56.287 -0.081 0.000 0.956 436 K CB -0.100 32.354 32.500 -0.077 0.000 0.735 436 K HN 0.349 nan 8.250 nan 0.000 0.451 437 N N 2.282 120.985 118.700 0.006 0.000 3.114 437 N HA -0.016 4.720 4.740 -0.007 0.000 0.289 437 N C -1.289 174.333 175.510 0.187 0.000 1.519 437 N CA -0.404 52.740 53.050 0.156 0.000 1.026 437 N CB 0.136 38.748 38.487 0.208 0.000 1.306 437 N HN 0.081 nan 8.380 nan 0.000 0.495 438 D N -0.064 120.444 120.400 0.180 0.000 2.423 438 D HA 0.003 4.639 4.640 -0.007 0.000 0.255 438 D C 1.368 177.805 176.300 0.229 0.000 1.174 438 D CA -0.641 53.456 54.000 0.162 0.000 1.008 438 D CB 0.714 41.583 40.800 0.115 0.000 1.101 438 D HN 0.135 nan 8.370 nan 0.000 0.516 439 I N 0.599 121.272 120.570 0.172 0.000 2.361 439 I HA -0.213 3.952 4.170 -0.007 0.000 0.251 439 I C 1.702 177.994 176.117 0.292 0.000 1.133 439 I CA 1.384 62.807 61.300 0.205 0.000 1.413 439 I CB -0.842 37.222 38.000 0.106 0.000 1.073 439 I HN 0.501 nan 8.210 nan 0.000 0.424 440 N N -0.042 118.789 118.700 0.219 0.000 2.084 440 N HA -0.311 4.424 4.740 -0.007 0.000 0.190 440 N C 2.143 177.785 175.510 0.220 0.000 1.030 440 N CA 1.989 55.155 53.050 0.194 0.000 0.849 440 N CB -0.365 38.210 38.487 0.147 0.000 1.012 440 N HN 0.547 nan 8.380 nan 0.000 0.423 441 H N -1.258 117.904 119.070 0.153 0.000 2.352 441 H HA -0.140 4.412 4.556 -0.007 0.000 0.299 441 H C 1.714 177.168 175.328 0.210 0.000 1.097 441 H CA 2.348 58.488 56.048 0.153 0.000 1.311 441 H CB -0.692 29.156 29.762 0.143 0.000 1.377 441 H HN 0.494 nan 8.280 nan 0.000 0.504 442 W N 1.778 123.115 121.300 0.061 0.000 2.332 442 W HA -0.276 4.379 4.660 -0.007 0.000 0.321 442 W C 2.585 179.088 176.519 -0.025 0.000 1.219 442 W CA 2.543 59.901 57.345 0.022 0.000 1.277 442 W CB -0.509 28.977 29.460 0.043 0.000 1.161 442 W HN 0.517 nan 8.180 nan 0.000 0.476 443 Q N -0.031 119.796 119.800 0.044 0.000 2.119 443 Q HA -0.162 4.173 4.340 -0.007 0.000 0.201 443 Q C 1.794 177.640 176.000 -0.255 0.000 0.972 443 Q CA 2.231 57.911 55.803 -0.204 0.000 0.847 443 Q CB -1.132 27.706 28.738 0.166 0.000 0.903 443 Q HN 0.455 nan 8.270 nan 0.000 0.433 444 E N 0.076 120.204 120.200 -0.119 0.000 2.153 444 E HA -0.138 4.207 4.350 -0.007 0.000 0.194 444 E C 1.936 178.422 176.600 -0.190 0.000 0.988 444 E CA 1.175 57.502 56.400 -0.121 0.000 0.811 444 E CB -0.181 29.500 29.700 -0.032 0.000 0.746 444 E HN 0.451 nan 8.360 nan 0.000 0.466 445 C N 0.097 119.254 119.300 -0.239 0.000 2.446 445 C HA -0.094 4.361 4.460 -0.007 0.000 0.277 445 C C 2.356 177.236 174.990 -0.184 0.000 1.275 445 C CA 0.266 59.187 59.018 -0.161 0.000 1.727 445 C CB -0.847 26.840 27.740 -0.088 0.000 2.010 445 C HN 0.435 nan 8.230 nan 0.000 0.486 446 F N 1.139 120.674 119.950 -0.690 0.000 2.163 446 F HA -0.016 4.506 4.527 -0.007 0.000 0.297 446 F C 2.170 177.462 175.800 -0.847 0.000 1.094 446 F CA 1.516 58.831 58.000 -1.141 0.000 1.290 446 F CB -0.169 37.760 39.000 -1.785 0.000 1.017 446 F HN 0.052 nan 8.300 nan 0.000 0.483 447 I N -0.516 119.741 120.570 -0.522 0.000 2.252 447 I HA -0.242 3.923 4.170 -0.007 0.000 0.245 447 I C 2.663 178.603 176.117 -0.296 0.000 1.102 447 I CA 1.540 62.599 61.300 -0.402 0.000 1.385 447 I CB -1.536 36.300 38.000 -0.273 0.000 1.064 447 I HN 0.240 nan 8.210 nan 0.000 0.414 448 S N 0.807 116.367 115.700 -0.233 0.000 2.382 448 S HA -0.203 4.263 4.470 -0.007 0.000 0.228 448 S C 1.642 176.138 174.600 -0.172 0.000 1.027 448 S CA 1.663 59.768 58.200 -0.159 0.000 0.991 448 S CB -0.166 62.970 63.200 -0.107 0.000 0.823 448 S HN 0.339 nan 8.310 nan 0.000 0.469 449 D N 0.841 121.106 120.400 -0.225 0.000 2.144 449 D HA -0.029 4.607 4.640 -0.007 0.000 0.200 449 D C 1.809 177.947 176.300 -0.270 0.000 0.978 449 D CA 0.712 54.588 54.000 -0.207 0.000 0.833 449 D CB -0.426 40.275 40.800 -0.166 0.000 0.961 449 D HN 0.367 nan 8.370 nan 0.000 0.470 450 L N 0.919 121.896 121.223 -0.409 0.000 2.156 450 L HA -0.031 4.304 4.340 -0.007 0.000 0.208 450 L C 1.801 178.556 176.870 -0.192 0.000 1.095 450 L CA 1.636 56.259 54.840 -0.363 0.000 0.770 450 L CB -0.232 41.541 42.059 -0.477 0.000 0.914 450 L HN -0.163 nan 8.230 nan 0.000 0.439 451 K N -1.095 119.204 120.400 -0.168 0.000 2.155 451 K HA -0.130 4.185 4.320 -0.007 0.000 0.203 451 K C 2.086 178.638 176.600 -0.080 0.000 1.052 451 K CA 1.122 57.347 56.287 -0.103 0.000 0.948 451 K CB -0.046 32.399 32.500 -0.091 0.000 0.728 451 K HN 0.431 nan 8.250 nan 0.000 0.448 452 Q N 0.413 120.160 119.800 -0.089 0.000 2.226 452 Q HA -0.053 4.282 4.340 -0.007 0.000 0.204 452 Q C 0.085 176.053 176.000 -0.054 0.000 0.975 452 Q CA 0.600 56.364 55.803 -0.066 0.000 0.866 452 Q CB 0.028 28.724 28.738 -0.069 0.000 0.915 452 Q HN 0.295 nan 8.270 nan 0.000 0.440 453 I N 2.001 122.535 120.570 -0.059 0.000 2.533 453 I HA -0.031 4.134 4.170 -0.007 0.000 0.284 453 I C 0.212 176.315 176.117 -0.024 0.000 1.109 453 I CA -0.551 60.727 61.300 -0.037 0.000 1.412 453 I CB 0.740 38.722 38.000 -0.029 0.000 1.396 453 I HN -0.083 nan 8.210 nan 0.000 0.543 454 V N 6.723 126.627 119.914 -0.017 0.000 2.485 454 V HA 0.247 4.363 4.120 -0.007 0.000 0.287 454 V C -1.937 174.157 176.094 0.000 0.000 1.022 454 V CA -1.338 60.956 62.300 -0.010 0.000 1.067 454 V CB -0.281 31.536 31.823 -0.010 0.000 0.967 454 V HN 0.581 nan 8.190 nan 0.000 0.479 455 P HA 0.295 nan 4.420 nan 0.000 0.277 455 P C 0.064 177.369 177.300 0.008 0.000 1.240 455 P CA -0.633 62.472 63.100 0.008 0.000 0.798 455 P CB 0.810 32.512 31.700 0.004 0.000 0.979 456 R N 0.000 120.508 120.500 0.013 0.000 2.786 456 R HA 0.000 4.336 4.340 -0.007 0.000 0.208 456 R CA 0.000 56.106 56.100 0.011 0.000 0.921 456 R CB 0.000 30.309 30.300 0.015 0.000 0.687 456 R HN 0.000 nan 8.270 nan 0.000 0.535