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 1ukp_1_C DATA FIRST_RESID 6 DATA SEQUENCE NMLLNYVPVY VMLPLGVVNV DNVFEDPDGL KEQLLQLRAA GVDGVMVDVW DATA SEQUENCE WGIIELKGPK QYDWRAYRSL LQLVQECGLT LQAIMSFHQC GGNVGDIVNI DATA SEQUENCE PIPQWVLDIG ESNHDIFYTN RSGTRNKEYL TVGVDNEPIF HGRTAIEIYS DATA SEQUENCE DYMKSFRENM SDFLESGLII DIEVGLGPAG ELRYPSYPQS QGWEFPGIGE DATA SEQUENCE FQCYDKYLKA DFKAAVARAG HPEWELPDDA GKYNDVPEST GFFKSNGTYV DATA SEQUENCE TEKGKFFLTW YSNKLLNHGD QILDEANKAF LGCKVKLAIK VSGIHWWYKV DATA SEQUENCE ENHAAELTAG YYNLNDRDGY RPIARMLSRH HAILNFTCLE MRDSEQPSDA DATA SEQUENCE KSGPQELVQQ VLSGGWREYI RVAGENALPR YDATAYNQII LNARPQGVNN DATA SEQUENCE NGPPKLSMFG VTYLRLSDDL LQKSNFNIFK KFVLKMHADQ DYCANPQKYN DATA SEQUENCE HAITPLSPSA PKIPIEVLLE ATKPTRPFPW LDETDMKVDG 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 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.503 175.510 -0.012 0.000 1.280 6 N CA 0.000 53.039 53.050 -0.018 0.000 0.885 6 N CB 0.000 38.474 38.487 -0.023 0.000 1.341 7 M N 1.767 121.361 119.600 -0.010 0.000 2.460 7 M HA 0.005 4.486 4.480 0.002 0.000 0.263 7 M C 1.518 177.833 176.300 0.024 0.000 1.071 7 M CA 0.809 56.108 55.300 -0.002 0.000 1.096 7 M CB -0.773 31.823 32.600 -0.007 0.000 1.408 7 M HN 0.604 nan 8.290 nan 0.000 0.463 8 L N 0.169 121.401 121.223 0.015 0.000 2.201 8 L HA -0.052 4.289 4.340 0.002 0.000 0.212 8 L C 1.953 178.848 176.870 0.041 0.000 1.105 8 L CA 1.331 56.181 54.840 0.016 0.000 0.775 8 L CB -0.610 41.421 42.059 -0.046 0.000 0.913 8 L HN 0.239 nan 8.230 nan 0.000 0.440 9 L N -1.044 120.196 121.223 0.029 0.000 2.478 9 L HA -0.062 4.279 4.340 0.002 0.000 0.223 9 L C 1.462 178.367 176.870 0.059 0.000 1.140 9 L CA 0.471 55.337 54.840 0.043 0.000 0.842 9 L CB -0.384 41.682 42.059 0.013 0.000 0.953 9 L HN 0.351 nan 8.230 nan 0.000 0.452 10 N N -1.084 117.645 118.700 0.049 0.000 2.236 10 N HA -0.031 4.711 4.740 0.002 0.000 0.196 10 N C 0.035 175.573 175.510 0.047 0.000 1.114 10 N CA -0.104 52.963 53.050 0.028 0.000 0.859 10 N CB 0.590 39.071 38.487 -0.010 0.000 0.982 10 N HN 0.144 nan 8.380 nan 0.000 0.493 11 Y N 2.353 122.590 120.300 -0.105 0.000 2.569 11 Y HA 0.090 4.641 4.550 0.002 0.000 0.332 11 Y C -0.293 175.438 175.900 -0.281 0.000 1.120 11 Y CA -0.070 57.899 58.100 -0.218 0.000 1.416 11 Y CB 0.408 38.666 38.460 -0.336 0.000 1.210 11 Y HN -0.296 nan 8.280 nan 0.000 0.528 12 V N 9.912 129.720 119.914 -0.176 0.000 2.384 12 V HA 0.334 4.455 4.120 0.002 0.000 0.287 12 V C -2.084 173.827 176.094 -0.304 0.000 1.020 12 V CA -2.108 60.102 62.300 -0.149 0.000 0.850 12 V CB 1.468 33.251 31.823 -0.068 0.000 0.987 12 V HN 0.729 nan 8.190 nan 0.000 0.436 13 P HA 0.130 nan 4.420 nan 0.000 0.268 13 P C -0.773 176.302 177.300 -0.375 0.000 1.205 13 P CA 0.145 63.039 63.100 -0.343 0.000 0.771 13 P CB 1.286 32.787 31.700 -0.331 0.000 0.858 14 V N 4.686 124.319 119.914 -0.468 0.000 2.448 14 V HA 0.344 4.465 4.120 0.002 0.000 0.295 14 V C -0.340 175.487 176.094 -0.446 0.000 1.025 14 V CA -0.372 61.710 62.300 -0.363 0.000 0.859 14 V CB 0.776 32.353 31.823 -0.410 0.000 0.988 14 V HN 0.426 nan 8.190 nan 0.000 0.431 15 Y N 2.694 123.097 120.300 0.172 0.000 2.549 15 Y HA 0.780 5.331 4.550 0.002 0.000 0.339 15 Y C -0.057 176.003 175.900 0.266 0.000 1.053 15 Y CA -1.112 57.102 58.100 0.190 0.000 1.105 15 Y CB 2.143 40.697 38.460 0.158 0.000 1.258 15 Y HN 0.322 nan 8.280 nan 0.000 0.478 16 V N 3.017 123.166 119.914 0.391 0.000 2.577 16 V HA 0.329 4.450 4.120 0.002 0.000 0.303 16 V C -0.329 175.918 176.094 0.254 0.000 1.042 16 V CA -1.142 61.372 62.300 0.356 0.000 0.872 16 V CB 1.715 33.727 31.823 0.314 0.000 0.998 16 V HN 0.739 nan 8.190 nan 0.000 0.423 17 M N 4.898 124.624 119.600 0.211 0.000 2.219 17 M HA 0.333 4.814 4.480 0.002 0.000 0.353 17 M C -0.209 176.167 176.300 0.127 0.000 1.304 17 M CA 0.161 55.544 55.300 0.137 0.000 1.115 17 M CB 0.438 33.093 32.600 0.091 0.000 1.664 17 M HN 0.457 nan 8.290 nan 0.000 0.459 18 L N 4.280 125.571 121.223 0.114 0.000 2.476 18 L HA 0.267 4.609 4.340 0.002 0.000 0.255 18 L C -2.007 174.929 176.870 0.109 0.000 1.218 18 L CA -1.911 52.994 54.840 0.108 0.000 0.819 18 L CB -0.102 42.017 42.059 0.100 0.000 1.119 18 L HN 0.361 nan 8.230 nan 0.000 0.485 19 P HA 0.095 nan 4.420 nan 0.000 0.268 19 P C -0.654 176.723 177.300 0.128 0.000 1.205 19 P CA -0.199 62.960 63.100 0.100 0.000 0.771 19 P CB 0.432 32.183 31.700 0.084 0.000 0.858 20 L N 2.195 123.498 121.223 0.133 0.000 2.456 20 L HA 0.227 4.568 4.340 0.002 0.000 0.272 20 L C 1.638 178.595 176.870 0.144 0.000 1.189 20 L CA 0.761 55.710 54.840 0.181 0.000 0.846 20 L CB -0.575 41.575 42.059 0.151 0.000 1.111 20 L HN 0.787 nan 8.230 nan 0.000 0.475 21 G N 2.022 110.937 108.800 0.193 0.000 2.143 21 G HA2 -0.276 3.685 3.960 0.002 0.000 0.248 21 G HA3 -0.276 3.685 3.960 0.002 0.000 0.248 21 G C 0.750 175.721 174.900 0.117 0.000 0.991 21 G CA 0.364 45.535 45.100 0.119 0.000 0.689 21 G HN 0.585 nan 8.290 nan 0.000 0.522 22 V N -0.783 119.211 119.914 0.134 0.000 2.380 22 V HA -0.030 4.091 4.120 0.002 0.000 0.251 22 V C 1.435 177.601 176.094 0.119 0.000 1.063 22 V CA 2.405 64.785 62.300 0.133 0.000 1.055 22 V CB 0.021 31.904 31.823 0.099 0.000 0.657 22 V HN 0.560 nan 8.190 nan 0.000 0.455 23 V N 2.800 122.712 119.914 -0.005 0.000 2.357 23 V HA 0.358 4.479 4.120 0.002 0.000 0.284 23 V C 0.069 176.189 176.094 0.043 0.000 1.018 23 V CA -0.561 61.693 62.300 -0.077 0.000 0.841 23 V CB 1.334 32.855 31.823 -0.504 0.000 0.991 23 V HN 0.808 nan 8.190 nan 0.000 0.437 24 N N 4.472 123.209 118.700 0.062 0.000 2.294 24 N HA 0.091 4.832 4.740 0.002 0.000 0.248 24 N C 1.233 176.768 175.510 0.041 0.000 1.300 24 N CA 0.102 53.179 53.050 0.045 0.000 0.925 24 N CB 0.475 38.983 38.487 0.035 0.000 1.188 24 N HN 0.374 nan 8.380 nan 0.000 0.512 25 V N -3.948 115.968 119.914 0.004 0.000 2.720 25 V HA -0.115 4.006 4.120 0.002 0.000 0.256 25 V C 0.527 176.634 176.094 0.021 0.000 1.082 25 V CA 1.799 64.095 62.300 -0.007 0.000 1.101 25 V CB -0.763 31.033 31.823 -0.045 0.000 0.693 25 V HN 0.519 nan 8.190 nan 0.000 0.479 26 D N 0.304 120.721 120.400 0.029 0.000 2.340 26 D HA 0.100 4.741 4.640 0.002 0.000 0.220 26 D C 0.918 177.253 176.300 0.057 0.000 1.039 26 D CA 0.484 54.505 54.000 0.036 0.000 0.866 26 D CB -0.475 40.342 40.800 0.029 0.000 0.913 26 D HN 0.568 nan 8.370 nan 0.000 0.523 27 N N 0.202 118.947 118.700 0.075 0.000 2.780 27 N HA -0.170 4.571 4.740 0.002 0.000 0.247 27 N C -1.464 174.100 175.510 0.089 0.000 1.076 27 N CA 0.215 53.324 53.050 0.099 0.000 0.688 27 N CB -1.235 37.317 38.487 0.109 0.000 0.957 27 N HN -0.044 nan 8.380 nan 0.000 0.551 28 V N 1.933 121.897 119.914 0.082 0.000 2.656 28 V HA 0.438 4.559 4.120 0.002 0.000 0.307 28 V C 0.005 176.192 176.094 0.155 0.000 1.051 28 V CA -0.944 61.417 62.300 0.103 0.000 0.893 28 V CB 1.656 33.523 31.823 0.073 0.000 0.999 28 V HN 0.196 nan 8.190 nan 0.000 0.426 29 F N 4.025 123.961 119.950 -0.025 0.000 2.515 29 F HA 0.379 4.907 4.527 0.002 0.000 0.353 29 F C 1.277 177.066 175.800 -0.018 0.000 1.213 29 F CA -0.579 57.396 58.000 -0.042 0.000 1.194 29 F CB -0.132 38.847 39.000 -0.035 0.000 1.488 29 F HN 0.740 nan 8.300 nan 0.000 0.619 30 E N 1.892 122.163 120.200 0.117 0.000 2.012 30 E HA -0.232 4.119 4.350 0.002 0.000 0.197 30 E C 0.095 176.597 176.600 -0.163 0.000 1.007 30 E CA 1.538 57.922 56.400 -0.025 0.000 0.816 30 E CB 0.045 29.756 29.700 0.019 0.000 0.762 30 E HN 0.440 nan 8.360 nan 0.000 0.451 31 D N -0.498 119.792 120.400 -0.183 0.000 2.590 31 D HA 0.125 4.766 4.640 0.002 0.000 0.280 31 D C -2.079 173.997 176.300 -0.373 0.000 1.197 31 D CA -2.200 51.669 54.000 -0.219 0.000 0.967 31 D CB 0.897 41.644 40.800 -0.088 0.000 0.987 31 D HN -0.155 nan 8.370 nan 0.000 0.508 32 P HA -0.106 nan 4.420 nan 0.000 0.215 32 P C 0.951 178.103 177.300 -0.248 0.000 1.157 32 P CA 0.910 63.573 63.100 -0.728 0.000 0.868 32 P CB 0.395 31.695 31.700 -0.668 0.000 0.788 33 D N -0.920 119.370 120.400 -0.183 0.000 2.144 33 D HA -0.094 4.547 4.640 0.002 0.000 0.199 33 D C 2.220 178.483 176.300 -0.062 0.000 0.984 33 D CA 1.683 55.628 54.000 -0.092 0.000 0.834 33 D CB -0.906 39.847 40.800 -0.079 0.000 0.955 33 D HN 0.195 nan 8.370 nan 0.000 0.465 34 G N 1.079 109.837 108.800 -0.070 0.000 2.402 34 G HA2 -0.204 3.758 3.960 0.002 0.000 0.216 34 G HA3 -0.204 3.758 3.960 0.002 0.000 0.216 34 G C 1.647 176.539 174.900 -0.014 0.000 1.162 34 G CA 0.330 45.406 45.100 -0.041 0.000 0.777 34 G HN 0.206 nan 8.290 nan 0.000 0.539 35 L N 0.777 122.005 121.223 0.007 0.000 2.056 35 L HA 0.098 4.440 4.340 0.002 0.000 0.207 35 L C 2.642 179.548 176.870 0.060 0.000 1.078 35 L CA 2.257 57.138 54.840 0.068 0.000 0.749 35 L CB -0.468 41.700 42.059 0.181 0.000 0.901 35 L HN 0.213 nan 8.230 nan 0.000 0.433 36 K N -0.780 119.648 120.400 0.046 0.000 2.063 36 K HA -0.245 4.076 4.320 0.002 0.000 0.208 36 K C 2.115 178.726 176.600 0.019 0.000 1.048 36 K CA 1.538 57.851 56.287 0.043 0.000 0.928 36 K CB -0.167 32.350 32.500 0.028 0.000 0.713 36 K HN 0.297 nan 8.250 nan 0.000 0.442 37 E N 1.250 121.449 120.200 -0.002 0.000 2.058 37 E HA -0.217 4.134 4.350 0.002 0.000 0.194 37 E C 1.997 178.581 176.600 -0.027 0.000 0.997 37 E CA 1.550 57.940 56.400 -0.018 0.000 0.801 37 E CB -0.083 29.598 29.700 -0.032 0.000 0.746 37 E HN 0.428 nan 8.360 nan 0.000 0.450 38 Q N -0.095 119.690 119.800 -0.026 0.000 2.050 38 Q HA -0.110 4.231 4.340 0.002 0.000 0.202 38 Q C 2.552 178.546 176.000 -0.010 0.000 0.980 38 Q CA 1.272 57.050 55.803 -0.042 0.000 0.840 38 Q CB -0.140 28.583 28.738 -0.025 0.000 0.898 38 Q HN 0.306 nan 8.270 nan 0.000 0.424 39 L N 0.344 121.582 121.223 0.026 0.000 2.083 39 L HA -0.197 4.144 4.340 0.002 0.000 0.209 39 L C 2.319 179.213 176.870 0.040 0.000 1.083 39 L CA 0.852 55.719 54.840 0.047 0.000 0.752 39 L CB -0.459 41.639 42.059 0.063 0.000 0.899 39 L HN 0.272 nan 8.230 nan 0.000 0.433 40 L N -0.681 120.559 121.223 0.028 0.000 2.131 40 L HA -0.231 4.111 4.340 0.002 0.000 0.210 40 L C 2.729 179.623 176.870 0.039 0.000 1.092 40 L CA 1.245 56.102 54.840 0.027 0.000 0.759 40 L CB -0.418 41.652 42.059 0.019 0.000 0.903 40 L HN 0.370 nan 8.230 nan 0.000 0.435 41 Q N -0.412 119.405 119.800 0.028 0.000 2.123 41 Q HA -0.123 4.218 4.340 0.002 0.000 0.199 41 Q C 2.394 178.525 176.000 0.218 0.000 0.966 41 Q CA 1.011 56.855 55.803 0.068 0.000 0.845 41 Q CB -0.011 28.651 28.738 -0.128 0.000 0.907 41 Q HN 0.536 nan 8.270 nan 0.000 0.439 42 L N 0.330 121.649 121.223 0.159 0.000 2.017 42 L HA -0.205 4.136 4.340 0.002 0.000 0.208 42 L C 2.608 179.551 176.870 0.123 0.000 1.073 42 L CA 1.145 56.115 54.840 0.217 0.000 0.745 42 L CB -0.422 41.727 42.059 0.151 0.000 0.894 42 L HN 0.151 nan 8.230 nan 0.000 0.432 43 R N 0.777 121.303 120.500 0.043 0.000 2.105 43 R HA -0.152 4.189 4.340 0.002 0.000 0.239 43 R C 2.108 178.381 176.300 -0.045 0.000 1.135 43 R CA 1.727 57.793 56.100 -0.057 0.000 0.967 43 R CB -0.631 29.640 30.300 -0.049 0.000 0.861 43 R HN 0.353 nan 8.270 nan 0.000 0.442 44 A N -0.424 122.421 122.820 0.043 0.000 2.066 44 A HA 0.116 4.437 4.320 0.002 0.000 0.218 44 A C 2.108 179.721 177.584 0.049 0.000 1.157 44 A CA 1.303 53.374 52.037 0.057 0.000 0.670 44 A CB -0.557 18.504 19.000 0.101 0.000 0.804 44 A HN 0.423 nan 8.150 nan 0.000 0.453 45 A N -1.926 120.940 122.820 0.077 0.000 2.208 45 A HA 0.413 4.734 4.320 0.002 0.000 0.209 45 A C 1.767 179.289 177.584 -0.103 0.000 1.161 45 A CA 1.242 53.255 52.037 -0.039 0.000 0.782 45 A CB -0.661 18.338 19.000 -0.000 0.000 0.816 45 A HN 1.766 nan 8.150 nan 0.000 0.477 46 G N -1.650 107.106 108.800 -0.073 0.000 2.176 46 G HA2 -0.192 3.770 3.960 0.002 0.000 0.232 46 G HA3 -0.192 3.770 3.960 0.002 0.000 0.232 46 G C 0.226 175.084 174.900 -0.071 0.000 0.986 46 G CA -0.024 45.041 45.100 -0.057 0.000 0.643 46 G HN 0.746 nan 8.290 nan 0.000 0.522 47 V N 1.725 121.578 119.914 -0.101 0.000 2.694 47 V HA 0.079 4.200 4.120 0.002 0.000 0.306 47 V C 1.527 177.550 176.094 -0.119 0.000 1.054 47 V CA 1.112 63.370 62.300 -0.070 0.000 1.161 47 V CB 0.928 32.791 31.823 0.067 0.000 0.916 47 V HN 0.396 nan 8.190 nan 0.000 0.490 48 D N 2.838 123.188 120.400 -0.083 0.000 2.137 48 D HA 0.134 4.775 4.640 0.002 0.000 0.202 48 D C 0.754 177.091 176.300 0.061 0.000 0.970 48 D CA 1.479 55.479 54.000 0.001 0.000 0.837 48 D CB 0.639 41.371 40.800 -0.113 0.000 0.981 48 D HN 0.734 nan 8.370 nan 0.000 0.475 49 G N -0.151 108.700 108.800 0.086 0.000 2.619 49 G HA2 0.473 4.434 3.960 0.002 0.000 0.305 49 G HA3 0.473 4.434 3.960 0.002 0.000 0.305 49 G C -1.316 173.820 174.900 0.393 0.000 1.330 49 G CA -0.210 45.102 45.100 0.353 0.000 0.789 49 G HN 0.086 nan 8.290 nan 0.000 0.487 50 V N -2.736 117.371 119.914 0.320 0.000 3.141 50 V HA 0.915 5.036 4.120 0.002 0.000 0.312 50 V C -0.354 175.838 176.094 0.164 0.000 1.157 50 V CA -1.091 61.352 62.300 0.239 0.000 1.041 50 V CB 2.024 33.941 31.823 0.157 0.000 1.071 50 V HN 1.062 nan 8.190 nan 0.000 0.441 51 M N 2.457 122.133 119.600 0.127 0.000 2.464 51 M HA 0.852 5.333 4.480 0.002 0.000 0.308 51 M C -2.050 174.276 176.300 0.043 0.000 1.127 51 M CA -0.717 54.614 55.300 0.052 0.000 0.913 51 M CB 2.034 34.661 32.600 0.045 0.000 1.689 51 M HN 0.857 nan 8.290 nan 0.000 0.445 52 V N 4.036 123.952 119.914 0.002 0.000 2.888 52 V HA 0.441 4.562 4.120 0.002 0.000 0.309 52 V C -1.348 174.689 176.094 -0.096 0.000 1.114 52 V CA -0.660 61.646 62.300 0.010 0.000 0.940 52 V CB 2.538 34.410 31.823 0.081 0.000 1.021 52 V HN 0.907 nan 8.190 nan 0.000 0.426 53 D N 3.730 124.018 120.400 -0.187 0.000 2.351 53 D HA 0.272 4.913 4.640 0.002 0.000 0.251 53 D C -0.364 175.624 176.300 -0.520 0.000 1.137 53 D CA 0.192 53.837 54.000 -0.592 0.000 0.879 53 D CB 2.035 42.080 40.800 -1.258 0.000 1.181 53 D HN 0.344 nan 8.370 nan 0.000 0.448 54 V N 4.113 123.698 119.914 -0.548 0.000 2.217 54 V HA 0.093 4.215 4.120 0.002 0.000 0.264 54 V C -0.215 175.699 176.094 -0.300 0.000 1.107 54 V CA -0.907 61.104 62.300 -0.481 0.000 0.913 54 V CB -0.549 31.025 31.823 -0.415 0.000 1.153 54 V HN 0.455 nan 8.190 nan 0.000 0.469 55 W N 2.881 124.215 121.300 0.057 0.000 2.417 55 W HA 0.015 4.676 4.660 0.002 0.000 0.332 55 W C 1.117 177.738 176.519 0.169 0.000 1.413 55 W CA -0.128 57.256 57.345 0.064 0.000 1.299 55 W CB 0.298 29.813 29.460 0.091 0.000 1.304 55 W HN 0.749 nan 8.180 nan 0.000 0.565 56 W N 3.582 124.948 121.300 0.110 0.000 2.363 56 W HA -0.111 4.550 4.660 0.002 0.000 0.296 56 W C 1.893 178.535 176.519 0.205 0.000 1.212 56 W CA 1.921 59.306 57.345 0.066 0.000 1.260 56 W CB -0.820 28.606 29.460 -0.057 0.000 1.131 56 W HN 0.402 nan 8.180 nan 0.000 0.530 57 G N 0.441 109.327 108.800 0.142 0.000 2.471 57 G HA2 -0.184 3.777 3.960 0.002 0.000 0.219 57 G HA3 -0.184 3.777 3.960 0.002 0.000 0.219 57 G C 1.521 176.445 174.900 0.039 0.000 1.125 57 G CA 1.205 46.258 45.100 -0.079 0.000 0.775 57 G HN 0.364 nan 8.290 nan 0.000 0.548 58 I N 0.328 121.019 120.570 0.201 0.000 2.499 58 I HA 0.025 4.196 4.170 0.002 0.000 0.243 58 I C 2.410 178.640 176.117 0.188 0.000 1.085 58 I CA 0.036 61.460 61.300 0.206 0.000 1.422 58 I CB -0.133 38.073 38.000 0.342 0.000 1.165 58 I HN -0.029 nan 8.210 nan 0.000 0.440 59 I N 0.992 121.699 120.570 0.229 0.000 2.118 59 I HA -0.292 3.879 4.170 0.002 0.000 0.241 59 I C 1.913 178.108 176.117 0.129 0.000 1.070 59 I CA 1.799 63.137 61.300 0.064 0.000 1.327 59 I CB -1.092 36.834 38.000 -0.123 0.000 1.034 59 I HN 0.365 nan 8.210 nan 0.000 0.405 60 E N 0.664 121.071 120.200 0.345 0.000 2.405 60 E HA 0.028 4.380 4.350 0.002 0.000 0.214 60 E C 1.528 178.300 176.600 0.287 0.000 1.101 60 E CA -0.237 56.368 56.400 0.341 0.000 1.254 60 E CB 0.137 30.269 29.700 0.721 0.000 1.240 60 E HN 0.175 nan 8.360 nan 0.000 0.439 61 L N 0.764 122.081 121.223 0.158 0.000 2.044 61 L HA -0.047 4.294 4.340 0.002 0.000 0.205 61 L C 1.873 178.842 176.870 0.166 0.000 1.075 61 L CA 1.730 56.651 54.840 0.134 0.000 0.747 61 L CB -0.224 41.874 42.059 0.066 0.000 0.903 61 L HN 0.020 nan 8.230 nan 0.000 0.435 62 K N 0.119 120.567 120.400 0.080 0.000 2.059 62 K HA 0.055 4.376 4.320 0.002 0.000 0.212 62 K C 0.817 177.405 176.600 -0.020 0.000 1.050 62 K CA 1.209 57.510 56.287 0.024 0.000 0.927 62 K CB -0.681 31.806 32.500 -0.021 0.000 0.714 62 K HN 0.600 nan 8.250 nan 0.000 0.447 63 G N -2.537 106.188 108.800 -0.125 0.000 2.316 63 G HA2 0.239 4.201 3.960 0.002 0.000 0.296 63 G HA3 0.239 4.201 3.960 0.002 0.000 0.296 63 G C -3.039 171.402 174.900 -0.766 0.000 1.399 63 G CA -1.189 43.618 45.100 -0.488 0.000 0.833 63 G HN -0.259 nan 8.290 nan 0.000 0.565 64 P HA 0.161 nan 4.420 nan 0.000 0.260 64 P C 0.040 177.052 177.300 -0.480 0.000 1.172 64 P CA 0.705 63.240 63.100 -0.942 0.000 0.760 64 P CB 0.241 31.444 31.700 -0.828 0.000 0.773 65 K N 0.664 120.817 120.400 -0.411 0.000 3.088 65 K HA -0.260 4.062 4.320 0.002 0.000 0.273 65 K C -0.294 175.898 176.600 -0.680 0.000 1.111 65 K CA 0.817 56.773 56.287 -0.551 0.000 0.803 65 K CB -1.632 30.800 32.500 -0.112 0.000 1.226 65 K HN 0.633 nan 8.250 nan 0.000 0.485 66 Q N 0.800 120.202 119.800 -0.664 0.000 2.506 66 Q HA 0.236 4.577 4.340 0.002 0.000 0.242 66 Q C -1.150 174.635 176.000 -0.358 0.000 1.060 66 Q CA -0.433 55.148 55.803 -0.371 0.000 0.826 66 Q CB 0.487 29.092 28.738 -0.222 0.000 1.169 66 Q HN 0.140 nan 8.270 nan 0.000 0.521 67 Y N 0.458 120.753 120.300 -0.008 0.000 2.320 67 Y HA 0.283 4.834 4.550 0.002 0.000 0.334 67 Y C 0.187 175.929 175.900 -0.264 0.000 1.055 67 Y CA -1.229 56.747 58.100 -0.206 0.000 1.143 67 Y CB 1.041 39.371 38.460 -0.216 0.000 1.193 67 Y HN 0.345 nan 8.280 nan 0.000 0.477 68 D N 2.733 123.007 120.400 -0.210 0.000 2.461 68 D HA 0.175 4.816 4.640 0.002 0.000 0.240 68 D C -0.788 175.445 176.300 -0.112 0.000 1.094 68 D CA -0.778 53.179 54.000 -0.072 0.000 0.868 68 D CB 0.335 41.145 40.800 0.016 0.000 1.062 68 D HN 0.599 nan 8.370 nan 0.000 0.530 69 W N 2.845 124.261 121.300 0.192 0.000 3.278 69 W HA 0.227 4.888 4.660 0.002 0.000 0.308 69 W C 2.032 178.668 176.519 0.196 0.000 1.253 69 W CA -0.535 56.924 57.345 0.189 0.000 1.759 69 W CB 0.338 29.856 29.460 0.097 0.000 1.093 69 W HN 0.260 nan 8.180 nan 0.000 0.648 70 R N 1.042 121.743 120.500 0.334 0.000 2.115 70 R HA -0.237 4.104 4.340 0.002 0.000 0.239 70 R C 2.401 178.844 176.300 0.238 0.000 1.133 70 R CA 2.115 58.368 56.100 0.254 0.000 0.935 70 R CB -1.104 29.306 30.300 0.184 0.000 0.853 70 R HN 0.196 nan 8.270 nan 0.000 0.433 71 A N 0.208 123.153 122.820 0.209 0.000 1.908 71 A HA -0.203 4.118 4.320 0.002 0.000 0.218 71 A C 1.977 179.572 177.584 0.019 0.000 1.181 71 A CA 1.395 53.511 52.037 0.132 0.000 0.627 71 A CB -0.726 18.325 19.000 0.086 0.000 0.818 71 A HN 0.382 nan 8.150 nan 0.000 0.445 72 Y N -0.460 119.914 120.300 0.123 0.000 2.314 72 Y HA -0.090 4.461 4.550 0.002 0.000 0.293 72 Y C 2.645 178.563 175.900 0.030 0.000 1.129 72 Y CA 1.541 59.685 58.100 0.074 0.000 1.201 72 Y CB -0.152 38.464 38.460 0.260 0.000 0.999 72 Y HN 0.223 nan 8.280 nan 0.000 0.541 73 R N -0.803 119.869 120.500 0.287 0.000 2.096 73 R HA -0.143 4.198 4.340 0.002 0.000 0.235 73 R C 2.313 178.721 176.300 0.181 0.000 1.127 73 R CA 1.527 57.792 56.100 0.275 0.000 0.968 73 R CB -0.366 30.134 30.300 0.332 0.000 0.861 73 R HN 0.203 nan 8.270 nan 0.000 0.440 74 S N 1.186 116.972 115.700 0.144 0.000 2.368 74 S HA -0.123 4.348 4.470 0.002 0.000 0.224 74 S C 1.782 176.394 174.600 0.020 0.000 1.029 74 S CA 0.904 59.208 58.200 0.173 0.000 0.988 74 S CB -0.194 63.193 63.200 0.312 0.000 0.838 74 S HN 0.189 nan 8.310 nan 0.000 0.462 75 L N 1.454 122.448 121.223 -0.381 0.000 2.017 75 L HA -0.001 4.340 4.340 0.002 0.000 0.208 75 L C 1.918 178.613 176.870 -0.291 0.000 1.073 75 L CA 1.633 56.053 54.840 -0.699 0.000 0.745 75 L CB -0.705 40.851 42.059 -0.838 0.000 0.894 75 L HN 0.158 nan 8.230 nan 0.000 0.432 76 L N -0.495 120.548 121.223 -0.300 0.000 2.131 76 L HA -0.181 4.160 4.340 0.002 0.000 0.210 76 L C 2.627 179.221 176.870 -0.459 0.000 1.092 76 L CA 1.710 56.251 54.840 -0.499 0.000 0.759 76 L CB -0.954 40.516 42.059 -0.983 0.000 0.903 76 L HN 0.467 nan 8.230 nan 0.000 0.435 77 Q N -0.650 119.030 119.800 -0.200 0.000 2.124 77 Q HA -0.210 4.131 4.340 0.002 0.000 0.202 77 Q C 2.092 178.152 176.000 0.100 0.000 0.977 77 Q CA 1.648 57.524 55.803 0.122 0.000 0.850 77 Q CB -0.389 28.508 28.738 0.265 0.000 0.901 77 Q HN 0.406 nan 8.270 nan 0.000 0.429 78 L N -0.833 120.445 121.223 0.092 0.000 2.072 78 L HA -0.054 4.287 4.340 0.002 0.000 0.205 78 L C 2.018 178.936 176.870 0.080 0.000 1.079 78 L CA 1.396 56.314 54.840 0.129 0.000 0.752 78 L CB -0.668 41.535 42.059 0.241 0.000 0.906 78 L HN 0.129 nan 8.230 nan 0.000 0.436 79 V N -0.035 119.895 119.914 0.026 0.000 2.332 79 V HA -0.354 3.768 4.120 0.002 0.000 0.248 79 V C 2.623 178.742 176.094 0.042 0.000 1.055 79 V CA 2.167 64.481 62.300 0.024 0.000 1.038 79 V CB -0.778 31.034 31.823 -0.017 0.000 0.651 79 V HN 0.681 nan 8.190 nan 0.000 0.450 80 Q N 0.002 119.823 119.800 0.036 0.000 2.079 80 Q HA -0.244 4.097 4.340 0.002 0.000 0.200 80 Q C 2.188 178.245 176.000 0.096 0.000 0.974 80 Q CA 1.932 57.787 55.803 0.086 0.000 0.840 80 Q CB -0.092 28.734 28.738 0.148 0.000 0.898 80 Q HN 0.745 nan 8.270 nan 0.000 0.430 81 E N -0.604 119.653 120.200 0.096 0.000 2.204 81 E HA -0.159 4.192 4.350 0.002 0.000 0.195 81 E C 1.819 178.463 176.600 0.073 0.000 0.990 81 E CA 0.977 57.430 56.400 0.087 0.000 0.821 81 E CB 0.015 29.768 29.700 0.089 0.000 0.750 81 E HN 0.397 nan 8.360 nan 0.000 0.477 82 C N 0.203 119.545 119.300 0.069 0.000 2.562 82 C HA 0.208 4.670 4.460 0.002 0.000 0.266 82 C C 1.586 176.606 174.990 0.050 0.000 1.382 82 C CA 0.412 59.464 59.018 0.056 0.000 1.742 82 C CB -1.057 26.716 27.740 0.055 0.000 1.812 82 C HN 0.674 nan 8.230 nan 0.000 0.559 83 G N 0.877 109.717 108.800 0.067 0.000 2.212 83 G HA2 -0.226 3.735 3.960 0.002 0.000 0.255 83 G HA3 -0.226 3.735 3.960 0.002 0.000 0.255 83 G C -0.346 174.598 174.900 0.074 0.000 1.062 83 G CA -0.054 45.093 45.100 0.078 0.000 0.815 83 G HN 0.516 nan 8.290 nan 0.000 0.497 84 L N 0.462 121.732 121.223 0.079 0.000 2.342 84 L HA 0.742 5.083 4.340 0.002 0.000 0.271 84 L C 1.113 178.062 176.870 0.132 0.000 1.008 84 L CA -0.626 54.271 54.840 0.094 0.000 0.818 84 L CB 2.095 44.202 42.059 0.080 0.000 1.296 84 L HN 0.331 nan 8.230 nan 0.000 0.427 85 T N -0.155 114.513 114.554 0.189 0.000 2.847 85 T HA 0.561 4.912 4.350 0.002 0.000 0.279 85 T C -0.600 174.204 174.700 0.173 0.000 0.984 85 T CA -0.712 61.506 62.100 0.196 0.000 0.988 85 T CB 1.699 70.731 68.868 0.272 0.000 1.040 85 T HN 0.310 nan 8.240 nan 0.000 0.528 86 L N 0.820 122.109 121.223 0.110 0.000 2.410 86 L HA 0.435 4.776 4.340 0.002 0.000 0.270 86 L C -1.081 175.784 176.870 -0.009 0.000 0.983 86 L CA -0.570 54.304 54.840 0.056 0.000 0.822 86 L CB 1.925 43.997 42.059 0.023 0.000 1.285 86 L HN 0.891 nan 8.230 nan 0.000 0.409 87 Q N 3.407 123.174 119.800 -0.056 0.000 2.368 87 Q HA 0.646 4.987 4.340 0.002 0.000 0.256 87 Q C -0.403 175.537 176.000 -0.099 0.000 0.980 87 Q CA -0.455 55.273 55.803 -0.125 0.000 0.887 87 Q CB 1.891 30.509 28.738 -0.200 0.000 1.221 87 Q HN 0.725 nan 8.270 nan 0.000 0.458 88 A N 4.445 127.187 122.820 -0.129 0.000 2.260 88 A HA 0.526 4.847 4.320 0.002 0.000 0.314 88 A C -0.390 177.033 177.584 -0.269 0.000 1.257 88 A CA -0.570 51.360 52.037 -0.178 0.000 0.871 88 A CB 0.329 19.223 19.000 -0.177 0.000 1.166 88 A HN 0.773 nan 8.150 nan 0.000 0.522 89 I N 3.568 123.974 120.570 -0.274 0.000 2.315 89 I HA 0.174 4.345 4.170 0.002 0.000 0.291 89 I C -0.030 175.842 176.117 -0.407 0.000 1.006 89 I CA -0.359 60.760 61.300 -0.303 0.000 1.265 89 I CB 1.354 39.190 38.000 -0.274 0.000 1.387 89 I HN 0.510 nan 8.210 nan 0.000 0.475 90 M N 5.258 124.610 119.600 -0.412 0.000 2.557 90 M HA 0.140 4.621 4.480 0.002 0.000 0.328 90 M C -0.053 175.788 176.300 -0.765 0.000 1.423 90 M CA 0.206 55.159 55.300 -0.579 0.000 1.418 90 M CB -0.304 32.034 32.600 -0.436 0.000 1.381 90 M HN 0.411 nan 8.290 nan 0.000 0.467 91 S N 3.545 118.830 115.700 -0.693 0.000 2.681 91 S HA 0.286 4.757 4.470 0.002 0.000 0.313 91 S C 0.294 174.695 174.600 -0.331 0.000 1.137 91 S CA -0.397 57.502 58.200 -0.501 0.000 1.045 91 S CB -0.538 62.104 63.200 -0.931 0.000 1.208 91 S HN 0.392 nan 8.310 nan 0.000 0.523 92 F N 3.507 123.526 119.950 0.115 0.000 2.777 92 F HA 0.199 4.727 4.527 0.002 0.000 0.291 92 F C 1.445 177.608 175.800 0.604 0.000 1.187 92 F CA -0.530 57.595 58.000 0.209 0.000 1.406 92 F CB -0.315 38.504 39.000 -0.302 0.000 0.982 92 F HN 0.569 nan 8.300 nan 0.000 0.509 93 H N -1.576 117.848 119.070 0.590 0.000 2.908 93 H HA 0.398 4.955 4.556 0.002 0.000 0.350 93 H C -0.901 174.721 175.328 0.490 0.000 1.217 93 H CA -1.247 55.140 56.048 0.565 0.000 1.168 93 H CB 0.923 30.930 29.762 0.410 0.000 1.891 93 H HN 0.160 nan 8.280 nan 0.000 0.566 94 Q N 0.783 120.784 119.800 0.336 0.000 2.288 94 Q HA 0.337 4.679 4.340 0.002 0.000 0.254 94 Q C -0.851 175.134 176.000 -0.025 0.000 0.932 94 Q CA -0.597 55.250 55.803 0.073 0.000 0.902 94 Q CB 0.942 29.711 28.738 0.052 0.000 1.203 94 Q HN 0.599 nan 8.270 nan 0.000 0.415 95 C N 4.608 123.640 119.300 -0.446 0.000 2.369 95 C HA 0.777 5.238 4.460 0.002 0.000 0.358 95 C C 1.047 175.880 174.990 -0.262 0.000 1.274 95 C CA 1.017 59.700 59.018 -0.558 0.000 1.935 95 C CB -0.888 26.010 27.740 -1.403 0.000 2.431 95 C HN 1.121 nan 8.230 nan 0.000 0.545 96 G N 4.005 112.743 108.800 -0.104 0.000 2.564 96 G HA2 0.293 4.254 3.960 0.002 0.000 0.273 96 G HA3 0.293 4.254 3.960 0.002 0.000 0.273 96 G C 0.885 175.750 174.900 -0.058 0.000 1.242 96 G CA 0.738 45.797 45.100 -0.068 0.000 0.951 96 G HN 2.585 nan 8.290 nan 0.000 0.564 97 G N -2.291 106.472 108.800 -0.061 0.000 2.284 97 G HA2 -0.150 3.811 3.960 0.002 0.000 0.201 97 G HA3 -0.150 3.811 3.960 0.002 0.000 0.201 97 G C 0.186 175.062 174.900 -0.041 0.000 0.998 97 G CA 0.933 46.000 45.100 -0.055 0.000 0.651 97 G HN 1.335 nan 8.290 nan 0.000 0.489 98 N N 0.204 118.887 118.700 -0.028 0.000 2.489 98 N HA 0.472 5.214 4.740 0.002 0.000 0.284 98 N C 0.142 175.640 175.510 -0.020 0.000 1.158 98 N CA -0.210 52.828 53.050 -0.019 0.000 0.965 98 N CB 2.157 40.642 38.487 -0.003 0.000 1.195 98 N HN 0.275 nan 8.380 nan 0.000 0.506 99 V N 1.054 120.958 119.914 -0.017 0.000 2.493 99 V HA 0.322 4.443 4.120 0.002 0.000 0.292 99 V C 1.254 177.339 176.094 -0.014 0.000 1.016 99 V CA 1.750 64.040 62.300 -0.017 0.000 1.097 99 V CB -0.322 31.491 31.823 -0.016 0.000 0.947 99 V HN 0.987 nan 8.190 nan 0.000 0.479 100 G N 4.740 113.530 108.800 -0.016 0.000 2.278 100 G HA2 -0.168 3.793 3.960 0.002 0.000 0.210 100 G HA3 -0.168 3.793 3.960 0.002 0.000 0.210 100 G C -0.097 174.794 174.900 -0.014 0.000 1.000 100 G CA 0.018 45.110 45.100 -0.013 0.000 0.635 100 G HN 0.708 nan 8.290 nan 0.000 0.495 101 D N 0.761 121.151 120.400 -0.018 0.000 2.343 101 D HA 0.478 5.119 4.640 0.002 0.000 0.255 101 D C 1.732 178.015 176.300 -0.029 0.000 1.187 101 D CA -0.233 53.754 54.000 -0.021 0.000 0.875 101 D CB 1.171 41.953 40.800 -0.029 0.000 1.136 101 D HN 0.271 nan 8.370 nan 0.000 0.469 102 I N 1.171 121.728 120.570 -0.023 0.000 2.193 102 I HA -0.136 4.035 4.170 0.002 0.000 0.240 102 I C 0.870 176.963 176.117 -0.041 0.000 1.084 102 I CA 0.763 62.048 61.300 -0.025 0.000 1.365 102 I CB 0.143 38.135 38.000 -0.013 0.000 1.064 102 I HN 0.102 nan 8.210 nan 0.000 0.410 103 V N 3.591 123.475 119.914 -0.050 0.000 2.348 103 V HA 0.203 4.324 4.120 0.002 0.000 0.270 103 V C -0.541 175.467 176.094 -0.144 0.000 1.037 103 V CA -0.417 61.831 62.300 -0.086 0.000 0.872 103 V CB 0.355 32.133 31.823 -0.074 0.000 1.002 103 V HN 0.283 nan 8.190 nan 0.000 0.464 104 N N 6.264 124.872 118.700 -0.154 0.000 2.443 104 N HA 0.571 5.312 4.740 0.002 0.000 0.269 104 N C -0.874 174.490 175.510 -0.243 0.000 0.985 104 N CA -0.282 52.657 53.050 -0.185 0.000 0.921 104 N CB 2.616 41.029 38.487 -0.123 0.000 1.195 104 N HN 0.515 nan 8.380 nan 0.000 0.492 105 I N 3.500 123.850 120.570 -0.367 0.000 2.521 105 I HA 0.262 4.433 4.170 0.002 0.000 0.277 105 I C -2.245 173.680 176.117 -0.319 0.000 1.054 105 I CA -1.783 59.279 61.300 -0.397 0.000 1.117 105 I CB 2.245 39.827 38.000 -0.698 0.000 1.217 105 I HN 0.142 nan 8.210 nan 0.000 0.469 106 P HA 0.247 nan 4.420 nan 0.000 0.274 106 P C 0.082 177.279 177.300 -0.172 0.000 1.246 106 P CA -0.307 62.701 63.100 -0.154 0.000 0.795 106 P CB 1.198 32.818 31.700 -0.132 0.000 1.006 107 I N -2.522 117.946 120.570 -0.170 0.000 3.194 107 I HA 0.258 4.429 4.170 0.002 0.000 0.283 107 I C -2.292 173.510 176.117 -0.524 0.000 1.199 107 I CA -2.464 58.617 61.300 -0.364 0.000 1.328 107 I CB -1.334 36.455 38.000 -0.352 0.000 1.404 107 I HN 0.107 nan 8.210 nan 0.000 0.618 108 P HA -0.090 nan 4.420 nan 0.000 0.261 108 P C -0.074 176.897 177.300 -0.547 0.000 1.165 108 P CA 0.399 63.060 63.100 -0.731 0.000 0.759 108 P CB 0.458 31.456 31.700 -1.169 0.000 0.772 109 Q N 4.686 124.348 119.800 -0.231 0.000 2.135 109 Q HA -0.163 4.178 4.340 0.002 0.000 0.204 109 Q C 1.561 177.550 176.000 -0.017 0.000 0.981 109 Q CA 1.884 57.633 55.803 -0.089 0.000 0.856 109 Q CB -0.636 28.108 28.738 0.010 0.000 0.902 109 Q HN 0.684 nan 8.270 nan 0.000 0.425 110 W N -1.161 120.131 121.300 -0.014 0.000 2.421 110 W HA -0.024 4.637 4.660 0.001 0.000 0.270 110 W C 1.107 177.669 176.519 0.072 0.000 1.233 110 W CA 0.820 58.201 57.345 0.060 0.000 1.226 110 W CB -0.732 28.785 29.460 0.095 0.000 1.121 110 W HN -0.006 nan 8.180 nan 0.000 0.579 111 V N 2.122 121.676 119.914 -0.599 0.000 2.446 111 V HA -0.238 3.883 4.120 0.002 0.000 0.244 111 V C 2.688 178.706 176.094 -0.127 0.000 1.039 111 V CA 1.359 63.341 62.300 -0.530 0.000 1.045 111 V CB -0.739 30.549 31.823 -0.892 0.000 0.681 111 V HN 0.085 nan 8.190 nan 0.000 0.459 112 L N -0.118 121.053 121.223 -0.086 0.000 2.131 112 L HA -0.169 4.173 4.340 0.002 0.000 0.210 112 L C 2.306 179.256 176.870 0.134 0.000 1.092 112 L CA 1.326 56.228 54.840 0.103 0.000 0.759 112 L CB -0.692 41.390 42.059 0.037 0.000 0.903 112 L HN 0.352 nan 8.230 nan 0.000 0.435 113 D N 0.357 120.824 120.400 0.111 0.000 2.144 113 D HA -0.148 4.494 4.640 0.002 0.000 0.199 113 D C 2.270 178.658 176.300 0.147 0.000 0.984 113 D CA 1.272 55.358 54.000 0.143 0.000 0.834 113 D CB -0.018 40.889 40.800 0.178 0.000 0.955 113 D HN 0.344 nan 8.370 nan 0.000 0.465 114 I N 0.907 121.556 120.570 0.132 0.000 2.315 114 I HA -0.134 4.037 4.170 0.002 0.000 0.248 114 I C 2.519 178.683 176.117 0.078 0.000 1.117 114 I CA 1.120 62.468 61.300 0.080 0.000 1.404 114 I CB -0.394 37.636 38.000 0.049 0.000 1.071 114 I HN -0.001 nan 8.210 nan 0.000 0.419 115 G N 0.269 109.133 108.800 0.108 0.000 2.448 115 G HA2 -0.209 3.752 3.960 0.002 0.000 0.219 115 G HA3 -0.209 3.752 3.960 0.002 0.000 0.219 115 G C 1.549 176.672 174.900 0.372 0.000 1.127 115 G CA 0.409 45.612 45.100 0.173 0.000 0.766 115 G HN 0.264 nan 8.290 nan 0.000 0.552 116 E N 0.782 121.154 120.200 0.287 0.000 2.110 116 E HA -0.047 4.304 4.350 0.002 0.000 0.193 116 E C 2.591 179.362 176.600 0.285 0.000 0.988 116 E CA 0.916 57.501 56.400 0.309 0.000 0.804 116 E CB -0.121 29.695 29.700 0.193 0.000 0.745 116 E HN 0.374 nan 8.360 nan 0.000 0.458 117 S N 0.074 115.867 115.700 0.156 0.000 2.517 117 S HA 0.043 4.514 4.470 0.002 0.000 0.214 117 S C 0.665 175.260 174.600 -0.008 0.000 0.991 117 S CA -0.221 58.006 58.200 0.046 0.000 0.906 117 S CB 0.158 63.382 63.200 0.039 0.000 0.789 117 S HN 0.203 nan 8.310 nan 0.000 0.513 118 N N 0.360 119.098 118.700 0.064 0.000 2.675 118 N HA 0.202 4.943 4.740 0.002 0.000 0.254 118 N C -0.029 175.580 175.510 0.165 0.000 1.224 118 N CA -0.159 52.913 53.050 0.037 0.000 0.777 118 N CB 0.424 38.906 38.487 -0.010 0.000 1.256 118 N HN 0.259 nan 8.380 nan 0.000 0.531 119 H N 0.460 119.592 119.070 0.104 0.000 2.545 119 H HA -0.033 4.524 4.556 0.002 0.000 0.282 119 H C 0.163 175.610 175.328 0.199 0.000 1.020 119 H CA 0.403 56.575 56.048 0.206 0.000 1.243 119 H CB 0.542 30.425 29.762 0.202 0.000 1.377 119 H HN 0.537 nan 8.280 nan 0.000 0.581 120 D N 1.310 121.855 120.400 0.242 0.000 2.319 120 D HA -0.011 4.630 4.640 0.002 0.000 0.230 120 D C 1.736 178.189 176.300 0.256 0.000 1.094 120 D CA 0.280 54.429 54.000 0.249 0.000 0.856 120 D CB 0.259 41.143 40.800 0.140 0.000 0.915 120 D HN 0.654 nan 8.370 nan 0.000 0.517 121 I N -3.323 117.237 120.570 -0.016 0.000 3.419 121 I HA 0.103 4.274 4.170 0.002 0.000 0.286 121 I C -0.022 175.912 176.117 -0.305 0.000 1.268 121 I CA 0.150 61.326 61.300 -0.206 0.000 1.414 121 I CB -0.047 37.747 38.000 -0.344 0.000 1.074 121 I HN -0.335 nan 8.210 nan 0.000 0.457 122 F N 0.434 120.461 119.950 0.129 0.000 2.432 122 F HA 0.485 5.013 4.527 0.002 0.000 0.329 122 F C 0.099 175.995 175.800 0.160 0.000 1.076 122 F CA -1.102 56.960 58.000 0.104 0.000 1.018 122 F CB 0.192 39.272 39.000 0.133 0.000 1.201 122 F HN -0.226 nan 8.300 nan 0.000 0.489 123 Y N 0.808 121.366 120.300 0.430 0.000 2.610 123 Y HA 0.247 4.798 4.550 0.002 0.000 0.332 123 Y C 0.643 176.749 175.900 0.342 0.000 1.201 123 Y CA 0.169 58.487 58.100 0.364 0.000 1.465 123 Y CB 0.159 38.822 38.460 0.340 0.000 1.283 123 Y HN 0.432 nan 8.280 nan 0.000 0.563 124 T N 4.842 119.720 114.554 0.541 0.000 2.886 124 T HA 0.272 4.623 4.350 0.002 0.000 0.292 124 T C -0.456 174.493 174.700 0.414 0.000 1.012 124 T CA -1.234 61.114 62.100 0.413 0.000 0.982 124 T CB 0.992 70.082 68.868 0.370 0.000 1.018 124 T HN 0.616 nan 8.240 nan 0.000 0.451 125 N N 1.651 120.512 118.700 0.269 0.000 2.447 125 N HA 0.264 5.005 4.740 0.002 0.000 0.271 125 N C 1.055 176.438 175.510 -0.213 0.000 1.226 125 N CA -0.926 52.200 53.050 0.127 0.000 0.980 125 N CB 0.848 39.393 38.487 0.098 0.000 1.206 125 N HN 0.534 nan 8.380 nan 0.000 0.558 126 R N -0.156 119.905 120.500 -0.732 0.000 2.105 126 R HA -0.061 4.280 4.340 0.002 0.000 0.239 126 R C 1.320 177.387 176.300 -0.388 0.000 1.135 126 R CA 1.662 57.161 56.100 -1.002 0.000 0.967 126 R CB -0.266 29.458 30.300 -0.960 0.000 0.861 126 R HN 0.671 nan 8.270 nan 0.000 0.442 127 S N -0.954 114.610 115.700 -0.227 0.000 2.547 127 S HA 0.043 4.514 4.470 0.002 0.000 0.235 127 S C 1.076 175.656 174.600 -0.033 0.000 0.980 127 S CA 0.864 59.003 58.200 -0.100 0.000 0.941 127 S CB 0.492 63.660 63.200 -0.052 0.000 0.763 127 S HN 0.721 nan 8.310 nan 0.000 0.532 128 G N 1.189 109.980 108.800 -0.015 0.000 2.132 128 G HA2 -0.226 3.735 3.960 0.002 0.000 0.234 128 G HA3 -0.226 3.735 3.960 0.002 0.000 0.234 128 G C 0.075 175.032 174.900 0.095 0.000 0.989 128 G CA 0.127 45.263 45.100 0.060 0.000 0.676 128 G HN 0.448 nan 8.290 nan 0.000 0.522 129 T N 2.420 117.031 114.554 0.096 0.000 2.832 129 T HA 0.525 4.876 4.350 0.002 0.000 0.296 129 T C 0.553 175.333 174.700 0.133 0.000 0.968 129 T CA -0.321 61.840 62.100 0.101 0.000 1.107 129 T CB 0.906 69.840 68.868 0.110 0.000 0.916 129 T HN 0.287 nan 8.240 nan 0.000 0.517 130 R N 3.511 124.067 120.500 0.093 0.000 2.297 130 R HA 0.314 4.655 4.340 0.002 0.000 0.308 130 R C -0.016 176.288 176.300 0.007 0.000 1.029 130 R CA -0.661 55.506 56.100 0.112 0.000 0.929 130 R CB 0.426 30.781 30.300 0.092 0.000 1.046 130 R HN 0.492 nan 8.270 nan 0.000 0.461 131 N N 2.446 121.205 118.700 0.097 0.000 2.426 131 N HA 0.082 4.823 4.740 0.002 0.000 0.257 131 N C -0.267 175.184 175.510 -0.099 0.000 1.002 131 N CA -0.171 52.903 53.050 0.041 0.000 0.942 131 N CB 0.926 39.527 38.487 0.191 0.000 1.112 131 N HN 0.394 nan 8.380 nan 0.000 0.499 132 K N 2.057 122.244 120.400 -0.355 0.000 2.469 132 K HA 0.026 4.347 4.320 0.002 0.000 0.201 132 K C 1.018 177.580 176.600 -0.062 0.000 1.028 132 K CA 0.049 55.971 56.287 -0.608 0.000 1.170 132 K CB 0.401 32.444 32.500 -0.761 0.000 0.874 132 K HN 0.652 nan 8.250 nan 0.000 0.507 133 E N -0.106 120.160 120.200 0.111 0.000 2.385 133 E HA -0.083 4.269 4.350 0.002 0.000 0.194 133 E C -0.161 176.700 176.600 0.434 0.000 1.013 133 E CA 0.361 56.893 56.400 0.220 0.000 0.866 133 E CB 0.128 29.942 29.700 0.190 0.000 0.832 133 E HN 0.205 nan 8.360 nan 0.000 0.500 134 Y N -0.063 120.426 120.300 0.315 0.000 2.641 134 Y HA 0.338 4.889 4.550 0.002 0.000 0.333 134 Y C -1.677 174.387 175.900 0.272 0.000 1.174 134 Y CA -1.157 57.144 58.100 0.336 0.000 1.057 134 Y CB 1.309 39.965 38.460 0.327 0.000 1.322 134 Y HN -0.128 nan 8.280 nan 0.000 0.457 135 L N 3.796 124.767 121.223 -0.420 0.000 2.331 135 L HA 0.296 4.637 4.340 0.002 0.000 0.278 135 L C 0.678 177.243 176.870 -0.509 0.000 1.106 135 L CA -0.429 54.189 54.840 -0.369 0.000 0.824 135 L CB 1.193 43.009 42.059 -0.405 0.000 1.142 135 L HN 0.752 nan 8.230 nan 0.000 0.443 136 T N 1.503 115.727 114.554 -0.551 0.000 2.937 136 T HA -0.038 4.313 4.350 0.002 0.000 0.316 136 T C 1.120 175.574 174.700 -0.411 0.000 1.079 136 T CA -0.079 61.485 62.100 -0.893 0.000 1.131 136 T CB 0.990 69.597 68.868 -0.436 0.000 1.000 136 T HN 0.463 nan 8.240 nan 0.000 0.549 137 V N 4.657 124.385 119.914 -0.310 0.000 2.867 137 V HA 0.064 4.185 4.120 0.002 0.000 0.260 137 V C 2.220 178.289 176.094 -0.042 0.000 1.099 137 V CA 2.490 64.688 62.300 -0.169 0.000 1.122 137 V CB -1.162 30.503 31.823 -0.263 0.000 0.708 137 V HN 1.070 nan 8.190 nan 0.000 0.490 138 G N 0.052 108.848 108.800 -0.007 0.000 2.470 138 G HA2 -0.159 3.802 3.960 0.002 0.000 0.220 138 G HA3 -0.159 3.802 3.960 0.002 0.000 0.220 138 G C 1.289 176.119 174.900 -0.116 0.000 1.121 138 G CA 1.310 46.453 45.100 0.072 0.000 0.766 138 G HN 1.063 nan 8.290 nan 0.000 0.553 139 V N -2.681 117.099 119.914 -0.223 0.000 3.214 139 V HA 0.287 4.408 4.120 0.002 0.000 0.330 139 V C 1.182 177.204 176.094 -0.120 0.000 1.403 139 V CA 0.149 62.256 62.300 -0.322 0.000 1.143 139 V CB 0.367 31.973 31.823 -0.362 0.000 1.098 139 V HN -0.077 nan 8.190 nan 0.000 0.463 140 D N 2.829 123.194 120.400 -0.058 0.000 2.133 140 D HA -0.158 4.483 4.640 0.002 0.000 0.195 140 D C 1.240 177.516 176.300 -0.041 0.000 0.997 140 D CA 2.216 56.208 54.000 -0.013 0.000 0.840 140 D CB -0.160 40.693 40.800 0.088 0.000 0.947 140 D HN 0.711 nan 8.370 nan 0.000 0.452 141 N N 0.177 118.857 118.700 -0.032 0.000 2.328 141 N HA 0.061 4.802 4.740 0.002 0.000 0.247 141 N C -0.738 174.746 175.510 -0.043 0.000 1.165 141 N CA -0.137 52.897 53.050 -0.026 0.000 0.873 141 N CB 0.887 39.375 38.487 0.002 0.000 1.125 141 N HN -0.062 nan 8.380 nan 0.000 0.513 142 E N 1.735 121.880 120.200 -0.093 0.000 2.109 142 E HA 0.144 4.495 4.350 0.002 0.000 0.278 142 E C -2.205 174.321 176.600 -0.123 0.000 0.954 142 E CA -2.039 54.277 56.400 -0.140 0.000 0.779 142 E CB 1.458 30.961 29.700 -0.328 0.000 1.093 142 E HN 0.135 nan 8.360 nan 0.000 0.401 143 P HA 0.086 nan 4.420 nan 0.000 0.225 143 P C 0.652 177.880 177.300 -0.121 0.000 1.768 143 P CA 0.200 63.269 63.100 -0.051 0.000 0.943 143 P CB -0.679 31.011 31.700 -0.016 0.000 1.936 144 I N -5.010 115.372 120.570 -0.314 0.000 3.928 144 I HA 0.306 4.477 4.170 0.002 0.000 0.335 144 I C -0.383 175.357 176.117 -0.629 0.000 1.325 144 I CA -0.384 60.634 61.300 -0.470 0.000 1.107 144 I CB -0.327 37.314 38.000 -0.599 0.000 1.014 144 I HN -0.255 nan 8.210 nan 0.000 0.400 145 F N 3.391 123.302 119.950 -0.065 0.000 2.318 145 F HA 0.453 4.981 4.527 0.002 0.000 0.356 145 F C 0.393 176.213 175.800 0.034 0.000 1.109 145 F CA -0.882 57.093 58.000 -0.042 0.000 1.234 145 F CB -0.495 38.542 39.000 0.061 0.000 1.545 145 F HN 0.129 nan 8.300 nan 0.000 0.534 146 H N 1.193 120.378 119.070 0.191 0.000 2.655 146 H HA -0.206 4.351 4.556 0.002 0.000 0.313 146 H C 1.527 176.897 175.328 0.070 0.000 1.141 146 H CA 0.813 56.921 56.048 0.101 0.000 1.138 146 H CB -1.207 28.595 29.762 0.066 0.000 1.446 146 H HN 0.941 nan 8.280 nan 0.000 0.415 147 G N -0.968 107.911 108.800 0.132 0.000 2.284 147 G HA2 -0.298 3.663 3.960 0.002 0.000 0.230 147 G HA3 -0.298 3.663 3.960 0.002 0.000 0.230 147 G C 0.548 175.499 174.900 0.086 0.000 1.021 147 G CA 0.236 45.388 45.100 0.087 0.000 0.619 147 G HN 0.573 nan 8.290 nan 0.000 0.510 148 R N 1.232 121.817 120.500 0.142 0.000 2.573 148 R HA 0.603 4.944 4.340 0.002 0.000 0.272 148 R C 0.800 177.205 176.300 0.175 0.000 1.009 148 R CA 0.155 56.336 56.100 0.135 0.000 1.059 148 R CB 0.965 31.355 30.300 0.150 0.000 1.112 148 R HN 0.386 nan 8.270 nan 0.000 0.517 149 T N -1.897 112.709 114.554 0.086 0.000 2.862 149 T HA 0.337 4.689 4.350 0.002 0.000 0.276 149 T C 1.316 175.996 174.700 -0.033 0.000 0.974 149 T CA -0.374 61.771 62.100 0.075 0.000 0.966 149 T CB 1.499 70.357 68.868 -0.017 0.000 1.072 149 T HN 0.585 nan 8.240 nan 0.000 0.538 150 A N 0.400 123.137 122.820 -0.139 0.000 1.877 150 A HA 0.042 4.363 4.320 0.002 0.000 0.216 150 A C 2.318 179.308 177.584 -0.990 0.000 1.186 150 A CA 1.243 52.874 52.037 -0.677 0.000 0.620 150 A CB -1.119 17.552 19.000 -0.548 0.000 0.822 150 A HN 0.865 nan 8.150 nan 0.000 0.443 151 I N -0.393 119.883 120.570 -0.491 0.000 2.286 151 I HA -0.263 3.908 4.170 0.002 0.000 0.248 151 I C 2.441 178.389 176.117 -0.282 0.000 1.115 151 I CA 1.544 62.651 61.300 -0.322 0.000 1.392 151 I CB -0.452 37.485 38.000 -0.105 0.000 1.065 151 I HN 0.470 nan 8.210 nan 0.000 0.418 152 E N 0.869 120.940 120.200 -0.214 0.000 2.106 152 E HA -0.186 4.165 4.350 0.002 0.000 0.192 152 E C 2.285 178.809 176.600 -0.128 0.000 0.984 152 E CA 1.119 57.454 56.400 -0.109 0.000 0.806 152 E CB -0.027 29.652 29.700 -0.034 0.000 0.750 152 E HN 0.498 nan 8.360 nan 0.000 0.458 153 I N 0.566 120.964 120.570 -0.287 0.000 2.127 153 I HA -0.309 3.863 4.170 0.002 0.000 0.241 153 I C 2.133 178.081 176.117 -0.281 0.000 1.075 153 I CA 1.271 62.419 61.300 -0.253 0.000 1.334 153 I CB -0.416 37.272 38.000 -0.520 0.000 1.040 153 I HN 0.120 nan 8.210 nan 0.000 0.405 154 Y N 0.182 120.135 120.300 -0.578 0.000 2.224 154 Y HA -0.223 4.328 4.550 0.002 0.000 0.289 154 Y C 2.980 178.779 175.900 -0.168 0.000 1.146 154 Y CA 1.207 58.818 58.100 -0.814 0.000 1.182 154 Y CB -1.358 36.441 38.460 -1.102 0.000 0.983 154 Y HN 0.137 nan 8.280 nan 0.000 0.524 155 S N -0.210 115.502 115.700 0.020 0.000 2.355 155 S HA -0.162 4.309 4.470 0.002 0.000 0.222 155 S C 1.750 176.411 174.600 0.102 0.000 1.031 155 S CA 1.518 59.753 58.200 0.059 0.000 0.993 155 S CB -0.345 62.861 63.200 0.010 0.000 0.859 155 S HN 0.408 nan 8.310 nan 0.000 0.453 156 D N -0.200 120.281 120.400 0.134 0.000 2.144 156 D HA -0.097 4.544 4.640 0.002 0.000 0.199 156 D C 1.591 178.012 176.300 0.202 0.000 0.984 156 D CA 1.120 55.232 54.000 0.186 0.000 0.834 156 D CB -0.542 40.425 40.800 0.279 0.000 0.955 156 D HN 0.584 nan 8.370 nan 0.000 0.465 157 Y N 1.076 121.488 120.300 0.186 0.000 2.097 157 Y HA -0.218 4.333 4.550 0.002 0.000 0.282 157 Y C 2.462 178.474 175.900 0.187 0.000 1.152 157 Y CA 1.674 59.901 58.100 0.212 0.000 1.136 157 Y CB -0.197 38.553 38.460 0.483 0.000 0.975 157 Y HN -0.135 nan 8.280 nan 0.000 0.498 158 M N -0.174 119.665 119.600 0.398 0.000 2.159 158 M HA -0.234 4.247 4.480 0.002 0.000 0.263 158 M C 2.046 178.282 176.300 -0.108 0.000 1.063 158 M CA 1.770 57.194 55.300 0.208 0.000 1.110 158 M CB -0.296 32.438 32.600 0.224 0.000 1.374 158 M HN 0.186 nan 8.290 nan 0.000 0.411 159 K N -0.417 119.914 120.400 -0.114 0.000 2.057 159 K HA -0.104 4.218 4.320 0.002 0.000 0.206 159 K C 2.261 178.751 176.600 -0.183 0.000 1.050 159 K CA 1.552 57.726 56.287 -0.188 0.000 0.935 159 K CB -0.287 32.154 32.500 -0.099 0.000 0.715 159 K HN 0.169 nan 8.250 nan 0.000 0.439 160 S N 0.570 116.164 115.700 -0.175 0.000 2.382 160 S HA -0.160 4.311 4.470 0.002 0.000 0.228 160 S C 1.757 176.095 174.600 -0.437 0.000 1.027 160 S CA 0.906 58.975 58.200 -0.218 0.000 0.991 160 S CB -0.290 62.690 63.200 -0.367 0.000 0.823 160 S HN 0.330 nan 8.310 nan 0.000 0.469 161 F N 2.877 122.428 119.950 -0.666 0.000 2.102 161 F HA -0.002 4.526 4.527 0.002 0.000 0.298 161 F C 2.572 178.037 175.800 -0.558 0.000 1.105 161 F CA 1.886 59.266 58.000 -1.034 0.000 1.239 161 F CB -0.449 38.180 39.000 -0.619 0.000 0.991 161 F HN 0.102 nan 8.300 nan 0.000 0.474 162 R N 0.840 121.241 120.500 -0.165 0.000 2.096 162 R HA -0.182 4.159 4.340 0.002 0.000 0.235 162 R C 2.011 178.170 176.300 -0.236 0.000 1.127 162 R CA 2.169 58.192 56.100 -0.130 0.000 0.968 162 R CB -0.503 29.620 30.300 -0.295 0.000 0.861 162 R HN 0.458 nan 8.270 nan 0.000 0.440 163 E N -0.204 119.835 120.200 -0.268 0.000 2.046 163 E HA -0.078 4.273 4.350 0.002 0.000 0.190 163 E C 1.766 178.206 176.600 -0.266 0.000 0.982 163 E CA 0.917 57.190 56.400 -0.213 0.000 0.800 163 E CB -0.062 29.547 29.700 -0.151 0.000 0.756 163 E HN 0.402 nan 8.360 nan 0.000 0.449 164 N N -0.052 118.393 118.700 -0.425 0.000 2.457 164 N HA -0.030 4.711 4.740 0.002 0.000 0.180 164 N C 0.789 176.032 175.510 -0.445 0.000 1.050 164 N CA 0.720 53.509 53.050 -0.436 0.000 0.906 164 N CB 0.294 38.391 38.487 -0.650 0.000 0.968 164 N HN 0.170 nan 8.380 nan 0.000 0.445 165 M N 0.195 119.461 119.600 -0.556 0.000 2.576 165 M HA 0.137 4.618 4.480 0.002 0.000 0.322 165 M C 1.602 177.766 176.300 -0.227 0.000 1.184 165 M CA 0.069 55.133 55.300 -0.393 0.000 0.967 165 M CB -0.345 31.782 32.600 -0.789 0.000 1.372 165 M HN -0.029 nan 8.290 nan 0.000 0.509 166 S N 1.492 117.058 115.700 -0.224 0.000 2.387 166 S HA -0.205 4.266 4.470 0.002 0.000 0.230 166 S C 1.388 175.905 174.600 -0.138 0.000 1.035 166 S CA 1.966 60.081 58.200 -0.142 0.000 1.014 166 S CB -0.558 62.564 63.200 -0.130 0.000 0.836 166 S HN 0.571 nan 8.310 nan 0.000 0.466 167 D N 0.974 121.228 120.400 -0.244 0.000 2.149 167 D HA -0.093 4.548 4.640 0.002 0.000 0.201 167 D C 1.552 177.704 176.300 -0.247 0.000 0.972 167 D CA 0.729 54.557 54.000 -0.288 0.000 0.835 167 D CB -0.831 39.715 40.800 -0.425 0.000 0.966 167 D HN 0.482 nan 8.370 nan 0.000 0.476 168 F N 0.806 120.716 119.950 -0.066 0.000 2.259 168 F HA 0.121 4.650 4.527 0.002 0.000 0.298 168 F C 2.471 178.260 175.800 -0.018 0.000 1.088 168 F CA 0.447 58.423 58.000 -0.040 0.000 1.358 168 F CB -0.569 38.394 39.000 -0.062 0.000 1.040 168 F HN -0.088 nan 8.300 nan 0.000 0.505 169 L N -0.641 120.663 121.223 0.134 0.000 2.109 169 L HA -0.120 4.221 4.340 0.002 0.000 0.207 169 L C 2.458 179.371 176.870 0.071 0.000 1.086 169 L CA 1.032 55.935 54.840 0.105 0.000 0.760 169 L CB -0.530 41.590 42.059 0.101 0.000 0.910 169 L HN -0.004 nan 8.230 nan 0.000 0.437 170 E N 0.661 120.881 120.200 0.033 0.000 2.072 170 E HA -0.191 4.160 4.350 0.002 0.000 0.191 170 E C 2.242 178.860 176.600 0.029 0.000 0.985 170 E CA 1.684 58.093 56.400 0.015 0.000 0.801 170 E CB -0.172 29.515 29.700 -0.023 0.000 0.750 170 E HN 0.406 nan 8.360 nan 0.000 0.452 171 S N -1.171 114.554 115.700 0.042 0.000 2.555 171 S HA 0.098 4.569 4.470 0.002 0.000 0.230 171 S C 1.617 176.266 174.600 0.082 0.000 0.978 171 S CA 0.780 59.016 58.200 0.061 0.000 0.934 171 S CB -0.393 62.858 63.200 0.085 0.000 0.766 171 S HN 0.571 nan 8.310 nan 0.000 0.533 172 G N 0.702 109.555 108.800 0.089 0.000 2.136 172 G HA2 -0.264 3.697 3.960 0.002 0.000 0.242 172 G HA3 -0.264 3.697 3.960 0.002 0.000 0.242 172 G C 0.407 175.374 174.900 0.112 0.000 0.989 172 G CA 0.379 45.533 45.100 0.090 0.000 0.682 172 G HN 0.653 nan 8.290 nan 0.000 0.522 173 L N 0.291 121.596 121.223 0.137 0.000 2.056 173 L HA 0.362 4.703 4.340 0.002 0.000 0.207 173 L C 1.536 178.468 176.870 0.104 0.000 1.078 173 L CA 1.507 56.427 54.840 0.133 0.000 0.749 173 L CB -0.021 42.136 42.059 0.164 0.000 0.901 173 L HN 0.391 nan 8.230 nan 0.000 0.433 174 I N 1.224 121.854 120.570 0.100 0.000 2.312 174 I HA 0.085 4.256 4.170 0.002 0.000 0.291 174 I C 1.173 177.324 176.117 0.057 0.000 1.031 174 I CA -0.075 61.267 61.300 0.069 0.000 1.293 174 I CB 1.106 39.156 38.000 0.084 0.000 1.403 174 I HN 0.243 nan 8.210 nan 0.000 0.484 175 I N 1.795 122.394 120.570 0.047 0.000 3.645 175 I HA 0.269 4.440 4.170 0.002 0.000 0.300 175 I C -0.275 175.860 176.117 0.030 0.000 1.260 175 I CA 0.109 61.449 61.300 0.067 0.000 1.365 175 I CB 0.041 38.113 38.000 0.120 0.000 1.077 175 I HN 0.604 nan 8.210 nan 0.000 0.439 176 D N 0.349 120.724 120.400 -0.042 0.000 2.663 176 D HA 0.417 5.058 4.640 0.002 0.000 0.233 176 D C -1.096 175.096 176.300 -0.181 0.000 1.240 176 D CA -0.599 53.349 54.000 -0.086 0.000 0.774 176 D CB 1.487 42.272 40.800 -0.024 0.000 1.443 176 D HN -0.094 nan 8.370 nan 0.000 0.441 177 I N 1.229 121.640 120.570 -0.266 0.000 2.355 177 I HA 0.302 4.474 4.170 0.002 0.000 0.288 177 I C -0.107 175.865 176.117 -0.242 0.000 0.999 177 I CA -0.485 60.594 61.300 -0.367 0.000 1.163 177 I CB 1.071 38.650 38.000 -0.701 0.000 1.316 177 I HN 0.637 nan 8.210 nan 0.000 0.454 178 E N 6.345 126.419 120.200 -0.209 0.000 2.130 178 E HA 0.374 4.725 4.350 0.002 0.000 0.284 178 E C -1.142 175.365 176.600 -0.156 0.000 1.018 178 E CA -0.529 55.780 56.400 -0.151 0.000 0.817 178 E CB 1.300 30.922 29.700 -0.130 0.000 1.078 178 E HN 0.373 nan 8.360 nan 0.000 0.396 179 V N 4.496 124.343 119.914 -0.112 0.000 2.432 179 V HA 0.303 4.424 4.120 0.002 0.000 0.271 179 V C 0.954 177.002 176.094 -0.077 0.000 1.046 179 V CA -0.376 61.878 62.300 -0.076 0.000 0.945 179 V CB 1.087 32.882 31.823 -0.047 0.000 0.992 179 V HN 0.789 nan 8.190 nan 0.000 0.471 180 G N 4.149 112.910 108.800 -0.065 0.000 2.406 180 G HA2 0.431 4.393 3.960 0.002 0.000 0.251 180 G HA3 0.431 4.393 3.960 0.002 0.000 0.251 180 G C 0.169 175.060 174.900 -0.015 0.000 1.271 180 G CA -0.304 44.772 45.100 -0.040 0.000 0.859 180 G HN 0.758 nan 8.290 nan 0.000 0.540 181 L N 2.060 123.213 121.223 -0.116 0.000 3.184 181 L HA 0.446 4.787 4.340 0.002 0.000 0.283 181 L C 1.056 177.705 176.870 -0.368 0.000 1.218 181 L CA 0.249 55.040 54.840 -0.082 0.000 1.028 181 L CB 0.132 42.163 42.059 -0.047 0.000 1.400 181 L HN 0.859 nan 8.230 nan 0.000 0.591 182 G N -0.644 107.607 108.800 -0.914 0.000 2.360 182 G HA2 0.168 4.129 3.960 0.002 0.000 0.276 182 G HA3 0.168 4.129 3.960 0.002 0.000 0.276 182 G C -3.173 171.219 174.900 -0.846 0.000 1.256 182 G CA -0.712 43.505 45.100 -1.472 0.000 0.890 182 G HN -0.317 nan 8.290 nan 0.000 0.486 183 P HA 0.369 nan 4.420 nan 0.000 0.264 183 P C 0.613 177.720 177.300 -0.321 0.000 1.193 183 P CA 1.900 64.878 63.100 -0.202 0.000 0.763 183 P CB 1.142 32.745 31.700 -0.162 0.000 0.810 184 A N 3.862 126.490 122.820 -0.321 0.000 2.816 184 A HA -0.106 4.215 4.320 0.002 0.000 0.270 184 A C 1.608 178.727 177.584 -0.776 0.000 1.413 184 A CA 1.466 53.273 52.037 -0.383 0.000 0.866 184 A CB -2.431 16.500 19.000 -0.116 0.000 1.032 184 A HN 1.022 nan 8.150 nan 0.000 0.642 185 G N -2.065 105.947 108.800 -1.312 0.000 2.189 185 G HA2 -0.286 3.675 3.960 0.002 0.000 0.267 185 G HA3 -0.286 3.675 3.960 0.002 0.000 0.267 185 G C -0.136 174.559 174.900 -0.341 0.000 0.975 185 G CA 1.055 45.735 45.100 -0.700 0.000 0.644 185 G HN 1.339 nan 8.290 nan 0.000 0.537 186 E N -0.388 119.631 120.200 -0.302 0.000 2.313 186 E HA 0.510 4.861 4.350 0.002 0.000 0.272 186 E C -0.048 176.463 176.600 -0.149 0.000 1.038 186 E CA -1.032 55.280 56.400 -0.147 0.000 0.863 186 E CB 1.670 31.333 29.700 -0.061 0.000 1.060 186 E HN 0.160 nan 8.360 nan 0.000 0.402 187 L N 4.582 125.784 121.223 -0.036 0.000 2.462 187 L HA 0.148 4.490 4.340 0.002 0.000 0.283 187 L C -0.227 176.621 176.870 -0.037 0.000 1.166 187 L CA 0.803 55.628 54.840 -0.025 0.000 0.964 187 L CB -1.105 40.989 42.059 0.059 0.000 1.294 187 L HN 0.625 nan 8.230 nan 0.000 0.449 188 R N 2.139 122.488 120.500 -0.251 0.000 2.789 188 R HA 0.338 4.679 4.340 0.002 0.000 0.279 188 R C -1.608 174.374 176.300 -0.529 0.000 1.010 188 R CA -1.003 54.858 56.100 -0.400 0.000 0.855 188 R CB 0.351 30.489 30.300 -0.270 0.000 1.312 188 R HN 0.113 nan 8.270 nan 0.000 0.479 189 Y N 0.558 120.596 120.300 -0.437 0.000 2.376 189 Y HA 0.401 4.952 4.550 0.002 0.000 0.325 189 Y C -1.670 173.995 175.900 -0.392 0.000 1.199 189 Y CA -2.254 55.516 58.100 -0.550 0.000 1.206 189 Y CB 1.363 39.583 38.460 -0.401 0.000 1.229 189 Y HN 0.391 nan 8.280 nan 0.000 0.480 190 P HA 0.025 nan 4.420 nan 0.000 0.226 190 P C 0.134 177.372 177.300 -0.103 0.000 1.783 190 P CA 0.122 63.104 63.100 -0.196 0.000 0.980 190 P CB -0.120 31.530 31.700 -0.082 0.000 1.967 191 S N 0.196 115.868 115.700 -0.048 0.000 2.481 191 S HA -0.114 4.357 4.470 0.002 0.000 0.231 191 S C 0.724 175.386 174.600 0.104 0.000 0.996 191 S CA 0.209 58.470 58.200 0.100 0.000 0.942 191 S CB -1.002 62.272 63.200 0.123 0.000 0.768 191 S HN 0.425 nan 8.310 nan 0.000 0.520 192 Y N 0.179 120.281 120.300 -0.330 0.000 2.511 192 Y HA 0.624 5.175 4.550 0.002 0.000 0.356 192 Y C -3.216 172.326 175.900 -0.597 0.000 1.002 192 Y CA -3.986 53.599 58.100 -0.858 0.000 1.127 192 Y CB -0.181 37.226 38.460 -1.756 0.000 1.137 192 Y HN -0.016 nan 8.280 nan 0.000 0.652 193 P HA 0.038 nan 4.420 nan 0.000 0.276 193 P C 0.289 177.548 177.300 -0.069 0.000 1.243 193 P CA 0.062 63.004 63.100 -0.263 0.000 0.768 193 P CB 2.192 33.729 31.700 -0.271 0.000 0.856 194 Q N 3.303 123.129 119.800 0.043 0.000 2.123 194 Q HA -0.115 4.226 4.340 0.002 0.000 0.199 194 Q C 1.652 177.666 176.000 0.023 0.000 0.966 194 Q CA 2.037 57.915 55.803 0.125 0.000 0.845 194 Q CB -0.126 28.685 28.738 0.122 0.000 0.907 194 Q HN 0.559 nan 8.270 nan 0.000 0.439 195 S N -0.112 115.575 115.700 -0.023 0.000 2.442 195 S HA -0.139 4.332 4.470 0.002 0.000 0.236 195 S C 1.371 175.944 174.600 -0.045 0.000 1.007 195 S CA 0.968 59.148 58.200 -0.034 0.000 0.965 195 S CB -0.082 63.092 63.200 -0.043 0.000 0.773 195 S HN 0.450 nan 8.310 nan 0.000 0.504 196 Q N 0.383 120.126 119.800 -0.095 0.000 2.220 196 Q HA 0.382 4.723 4.340 0.002 0.000 0.205 196 Q C 1.123 177.081 176.000 -0.069 0.000 0.865 196 Q CA 0.214 55.956 55.803 -0.101 0.000 0.960 196 Q CB 0.600 29.215 28.738 -0.203 0.000 1.097 196 Q HN 0.750 nan 8.270 nan 0.000 0.493 197 G N 0.781 109.563 108.800 -0.029 0.000 2.194 197 G HA2 -0.262 3.699 3.960 0.002 0.000 0.236 197 G HA3 -0.262 3.699 3.960 0.002 0.000 0.236 197 G C -0.250 174.679 174.900 0.050 0.000 0.987 197 G CA -0.262 44.850 45.100 0.019 0.000 0.635 197 G HN 0.451 nan 8.290 nan 0.000 0.520 198 W N 2.202 123.414 121.300 -0.147 0.000 2.231 198 W HA 0.523 5.184 4.660 0.002 0.000 0.341 198 W C 0.268 176.791 176.519 0.007 0.000 1.298 198 W CA 0.752 58.069 57.345 -0.047 0.000 1.266 198 W CB 0.408 29.825 29.460 -0.071 0.000 1.172 198 W HN 0.229 nan 8.180 nan 0.000 0.568 199 E N 5.563 125.105 120.200 -1.097 0.000 2.290 199 E HA 0.125 4.476 4.350 0.002 0.000 0.274 199 E C -1.388 174.253 176.600 -1.599 0.000 0.889 199 E CA -1.242 54.500 56.400 -1.097 0.000 0.760 199 E CB 1.551 30.959 29.700 -0.488 0.000 1.206 199 E HN 0.314 nan 8.360 nan 0.000 0.419 200 F N 5.445 124.405 119.950 -1.651 0.000 2.607 200 F HA 0.107 4.635 4.527 0.002 0.000 0.374 200 F C -1.597 173.808 175.800 -0.657 0.000 1.104 200 F CA -0.976 56.326 58.000 -1.164 0.000 1.296 200 F CB 0.750 39.281 39.000 -0.782 0.000 1.085 200 F HN 0.235 nan 8.300 nan 0.000 0.584 201 P HA 0.235 nan 4.420 nan 0.000 0.209 201 P C -0.160 177.036 177.300 -0.173 0.000 1.872 201 P CA -0.232 62.071 63.100 -1.328 0.000 1.020 201 P CB 0.198 30.883 31.700 -1.691 0.000 1.813 202 G N 1.403 110.152 108.800 -0.085 0.000 2.484 202 G HA2 0.111 4.072 3.960 0.002 0.000 0.235 202 G HA3 0.111 4.072 3.960 0.002 0.000 0.235 202 G C 1.188 176.542 174.900 0.756 0.000 1.282 202 G CA -0.603 44.703 45.100 0.345 0.000 0.857 202 G HN 0.409 nan 8.290 nan 0.000 0.571 203 I N 0.176 120.973 120.570 0.379 0.000 2.830 203 I HA 0.283 4.454 4.170 0.002 0.000 0.263 203 I C 1.226 177.411 176.117 0.113 0.000 1.230 203 I CA 0.539 61.898 61.300 0.098 0.000 1.480 203 I CB -0.873 36.881 38.000 -0.410 0.000 1.095 203 I HN 0.938 nan 8.210 nan 0.000 0.455 204 G N 1.400 110.397 108.800 0.329 0.000 2.760 204 G HA2 -0.186 3.775 3.960 0.002 0.000 0.246 204 G HA3 -0.186 3.775 3.960 0.002 0.000 0.246 204 G C -0.780 174.113 174.900 -0.011 0.000 1.359 204 G CA -0.328 44.946 45.100 0.291 0.000 0.861 204 G HN 0.573 nan 8.290 nan 0.000 0.541 205 E N -1.116 119.055 120.200 -0.048 0.000 2.343 205 E HA 0.565 4.916 4.350 0.002 0.000 0.270 205 E C -0.710 175.803 176.600 -0.145 0.000 0.895 205 E CA -0.859 55.366 56.400 -0.292 0.000 0.767 205 E CB 1.472 30.802 29.700 -0.617 0.000 1.248 205 E HN 0.312 nan 8.360 nan 0.000 0.440 206 F N 1.530 121.451 119.950 -0.048 0.000 2.518 206 F HA 0.039 4.567 4.527 0.002 0.000 0.359 206 F C 1.283 177.160 175.800 0.128 0.000 1.118 206 F CA 0.146 58.109 58.000 -0.061 0.000 1.287 206 F CB 0.552 39.408 39.000 -0.239 0.000 1.132 206 F HN 0.209 nan 8.300 nan 0.000 0.587 207 Q N 2.697 122.694 119.800 0.328 0.000 2.324 207 Q HA 0.188 4.529 4.340 0.002 0.000 0.373 207 Q C -0.048 176.202 176.000 0.417 0.000 0.909 207 Q CA 0.032 56.050 55.803 0.358 0.000 1.135 207 Q CB 0.648 29.521 28.738 0.226 0.000 1.313 207 Q HN 0.759 nan 8.270 nan 0.000 0.417 208 C N -1.967 117.519 119.300 0.311 0.000 2.422 208 C HA 0.486 4.947 4.460 0.002 0.000 0.301 208 C C 0.512 175.482 174.990 -0.032 0.000 1.444 208 C CA -0.714 58.445 59.018 0.235 0.000 1.771 208 C CB -1.683 26.241 27.740 0.306 0.000 2.834 208 C HN 0.320 nan 8.230 nan 0.000 0.545 209 Y N 1.247 121.706 120.300 0.265 0.000 2.507 209 Y HA 0.202 4.753 4.550 0.002 0.000 0.254 209 Y C 0.943 176.962 175.900 0.198 0.000 1.171 209 Y CA -0.776 57.434 58.100 0.184 0.000 1.238 209 Y CB -0.283 38.243 38.460 0.111 0.000 1.148 209 Y HN 0.529 nan 8.280 nan 0.000 0.525 210 D N 0.069 120.684 120.400 0.359 0.000 2.368 210 D HA 0.005 4.646 4.640 0.002 0.000 0.240 210 D C 1.272 177.692 176.300 0.200 0.000 1.169 210 D CA -0.408 53.766 54.000 0.291 0.000 0.906 210 D CB 0.857 41.858 40.800 0.336 0.000 1.187 210 D HN 0.277 nan 8.370 nan 0.000 0.435 211 K N 0.266 120.702 120.400 0.060 0.000 2.152 211 K HA -0.290 4.031 4.320 0.002 0.000 0.206 211 K C 1.292 177.831 176.600 -0.102 0.000 1.048 211 K CA 1.168 57.407 56.287 -0.079 0.000 0.933 211 K CB -0.553 31.799 32.500 -0.247 0.000 0.721 211 K HN 0.519 nan 8.250 nan 0.000 0.447 212 Y N 1.594 121.971 120.300 0.128 0.000 2.163 212 Y HA -0.061 4.490 4.550 0.002 0.000 0.288 212 Y C 2.264 178.287 175.900 0.205 0.000 1.136 212 Y CA 1.075 59.254 58.100 0.132 0.000 1.147 212 Y CB -0.351 38.167 38.460 0.097 0.000 0.987 212 Y HN -0.086 nan 8.280 nan 0.000 0.509 213 L N -0.146 121.323 121.223 0.410 0.000 2.217 213 L HA -0.157 4.184 4.340 0.002 0.000 0.211 213 L C 2.426 179.563 176.870 0.445 0.000 1.107 213 L CA 1.135 56.275 54.840 0.501 0.000 0.783 213 L CB -0.376 42.004 42.059 0.535 0.000 0.919 213 L HN 0.169 nan 8.230 nan 0.000 0.442 214 K N 0.559 121.120 120.400 0.268 0.000 2.097 214 K HA -0.142 4.179 4.320 0.002 0.000 0.205 214 K C 2.132 178.833 176.600 0.169 0.000 1.050 214 K CA 1.220 57.610 56.287 0.172 0.000 0.938 214 K CB 0.003 32.575 32.500 0.120 0.000 0.718 214 K HN 0.256 nan 8.250 nan 0.000 0.442 215 A N 1.251 124.164 122.820 0.155 0.000 1.929 215 A HA -0.173 4.148 4.320 0.002 0.000 0.216 215 A C 1.909 179.590 177.584 0.162 0.000 1.176 215 A CA 1.682 53.791 52.037 0.120 0.000 0.628 215 A CB -0.517 18.539 19.000 0.093 0.000 0.816 215 A HN 0.455 nan 8.150 nan 0.000 0.444 216 D N -0.832 119.731 120.400 0.271 0.000 2.084 216 D HA -0.178 4.463 4.640 0.002 0.000 0.194 216 D C 1.739 178.217 176.300 0.296 0.000 0.990 216 D CA 1.441 55.660 54.000 0.364 0.000 0.826 216 D CB -0.305 40.837 40.800 0.569 0.000 0.971 216 D HN 0.334 nan 8.370 nan 0.000 0.453 217 F N 1.752 121.688 119.950 -0.023 0.000 2.134 217 F HA -0.086 4.442 4.527 0.002 0.000 0.299 217 F C 2.388 178.051 175.800 -0.227 0.000 1.097 217 F CA 1.518 59.169 58.000 -0.581 0.000 1.264 217 F CB -0.255 38.150 39.000 -0.993 0.000 1.001 217 F HN -0.127 nan 8.300 nan 0.000 0.479 218 K N 0.141 120.477 120.400 -0.108 0.000 2.097 218 K HA -0.161 4.160 4.320 0.002 0.000 0.206 218 K C 2.170 178.678 176.600 -0.154 0.000 1.049 218 K CA 1.250 57.453 56.287 -0.141 0.000 0.933 218 K CB -0.372 32.121 32.500 -0.011 0.000 0.717 218 K HN 0.325 nan 8.250 nan 0.000 0.442 219 A N 0.743 123.524 122.820 -0.066 0.000 1.929 219 A HA 0.005 4.326 4.320 0.002 0.000 0.216 219 A C 2.261 179.817 177.584 -0.046 0.000 1.176 219 A CA 1.485 53.504 52.037 -0.031 0.000 0.628 219 A CB -0.589 18.436 19.000 0.043 0.000 0.816 219 A HN 0.449 nan 8.150 nan 0.000 0.444 220 A N 0.124 122.915 122.820 -0.049 0.000 1.873 220 A HA -0.011 4.310 4.320 0.002 0.000 0.215 220 A C 2.291 179.845 177.584 -0.050 0.000 1.186 220 A CA 2.157 54.226 52.037 0.054 0.000 0.616 220 A CB -1.229 17.866 19.000 0.159 0.000 0.823 220 A HN 1.059 nan 8.150 nan 0.000 0.442 221 V N -2.300 117.394 119.914 -0.367 0.000 2.515 221 V HA -0.026 4.096 4.120 0.002 0.000 0.250 221 V C 2.539 178.396 176.094 -0.395 0.000 1.058 221 V CA 1.676 63.667 62.300 -0.514 0.000 1.064 221 V CB -1.546 29.927 31.823 -0.584 0.000 0.675 221 V HN 0.490 nan 8.190 nan 0.000 0.461 222 A N 0.859 123.513 122.820 -0.276 0.000 1.898 222 A HA -0.122 4.199 4.320 0.002 0.000 0.216 222 A C 2.440 179.912 177.584 -0.187 0.000 1.181 222 A CA 1.761 53.666 52.037 -0.222 0.000 0.620 222 A CB -0.543 18.367 19.000 -0.150 0.000 0.819 222 A HN 0.553 nan 8.150 nan 0.000 0.442 223 R N -0.515 119.913 120.500 -0.121 0.000 2.115 223 R HA -0.020 4.321 4.340 0.002 0.000 0.230 223 R C 2.002 178.249 176.300 -0.088 0.000 1.111 223 R CA 1.031 57.091 56.100 -0.067 0.000 0.976 223 R CB -0.375 29.932 30.300 0.012 0.000 0.870 223 R HN 0.470 nan 8.270 nan 0.000 0.445 224 A N 0.439 123.173 122.820 -0.143 0.000 2.259 224 A HA 0.201 4.522 4.320 0.002 0.000 0.208 224 A C 1.308 178.704 177.584 -0.313 0.000 1.201 224 A CA 0.673 52.609 52.037 -0.169 0.000 0.824 224 A CB -0.234 18.582 19.000 -0.305 0.000 0.838 224 A HN 0.446 nan 8.150 nan 0.000 0.485 225 G N -0.959 107.625 108.800 -0.359 0.000 2.160 225 G HA2 -0.236 3.725 3.960 0.002 0.000 0.251 225 G HA3 -0.236 3.725 3.960 0.002 0.000 0.251 225 G C 0.034 174.437 174.900 -0.828 0.000 1.008 225 G CA 0.461 45.269 45.100 -0.486 0.000 0.724 225 G HN 0.693 nan 8.290 nan 0.000 0.514 226 H N -0.404 118.248 119.070 -0.696 0.000 2.439 226 H HA 0.200 4.757 4.556 0.002 0.000 0.230 226 H C -1.595 173.307 175.328 -0.711 0.000 1.420 226 H CA -0.688 54.763 56.048 -0.994 0.000 1.305 226 H CB 1.422 29.869 29.762 -2.192 0.000 1.667 226 H HN 0.280 nan 8.280 nan 0.000 0.515 227 P HA -0.156 nan 4.420 nan 0.000 0.225 227 P C 1.273 178.490 177.300 -0.139 0.000 1.148 227 P CA 0.985 63.949 63.100 -0.228 0.000 0.779 227 P CB 0.440 32.032 31.700 -0.182 0.000 0.780 228 E N -1.284 118.831 120.200 -0.141 0.000 2.427 228 E HA -0.111 4.240 4.350 0.002 0.000 0.196 228 E C 0.154 176.848 176.600 0.157 0.000 1.028 228 E CA 0.155 56.552 56.400 -0.005 0.000 0.864 228 E CB -0.691 29.015 29.700 0.009 0.000 0.813 228 E HN 0.186 nan 8.360 nan 0.000 0.514 229 W N 2.472 123.743 121.300 -0.049 0.000 2.253 229 W HA 0.285 4.946 4.660 0.002 0.000 0.322 229 W C 0.727 177.281 176.519 0.059 0.000 1.342 229 W CA -0.668 56.661 57.345 -0.027 0.000 1.218 229 W CB 0.334 29.736 29.460 -0.097 0.000 1.205 229 W HN -0.083 nan 8.180 nan 0.000 0.551 230 E N 1.785 122.168 120.200 0.306 0.000 2.299 230 E HA 0.419 4.770 4.350 0.002 0.000 0.260 230 E C -0.048 176.596 176.600 0.073 0.000 0.944 230 E CA -1.253 55.288 56.400 0.235 0.000 0.815 230 E CB 1.904 31.661 29.700 0.096 0.000 1.252 230 E HN 0.205 nan 8.360 nan 0.000 0.418 231 L N 1.638 122.755 121.223 -0.177 0.000 2.482 231 L HA 0.095 4.436 4.340 0.002 0.000 0.273 231 L C -1.912 174.627 176.870 -0.551 0.000 1.228 231 L CA -1.348 53.064 54.840 -0.713 0.000 0.827 231 L CB -0.371 41.244 42.059 -0.740 0.000 1.099 231 L HN 0.151 nan 8.230 nan 0.000 0.494 232 P HA -0.058 nan 4.420 nan 0.000 0.265 232 P C -0.478 176.655 177.300 -0.279 0.000 1.187 232 P CA 0.321 63.013 63.100 -0.681 0.000 0.766 232 P CB 0.378 31.320 31.700 -1.263 0.000 0.820 233 D N 0.927 121.215 120.400 -0.188 0.000 2.490 233 D HA -0.027 4.614 4.640 0.002 0.000 0.246 233 D C -0.260 175.990 176.300 -0.083 0.000 1.196 233 D CA 0.046 53.978 54.000 -0.113 0.000 0.812 233 D CB 0.177 40.932 40.800 -0.074 0.000 1.191 233 D HN 0.344 nan 8.370 nan 0.000 0.531 234 D N 0.905 121.270 120.400 -0.058 0.000 2.788 234 D HA 0.291 4.932 4.640 0.002 0.000 0.289 234 D C 0.840 177.160 176.300 0.033 0.000 1.340 234 D CA -0.528 53.470 54.000 -0.003 0.000 0.831 234 D CB 0.567 41.385 40.800 0.030 0.000 1.103 234 D HN 0.127 nan 8.370 nan 0.000 0.476 235 A N 0.015 122.812 122.820 -0.037 0.000 2.275 235 A HA 0.616 4.937 4.320 0.002 0.000 0.212 235 A C 1.450 179.056 177.584 0.037 0.000 1.201 235 A CA 0.432 52.473 52.037 0.007 0.000 0.843 235 A CB -0.371 18.565 19.000 -0.105 0.000 0.873 235 A HN 0.650 nan 8.150 nan 0.000 0.492 236 G N -0.351 108.438 108.800 -0.019 0.000 2.553 236 G HA2 -0.209 3.752 3.960 0.002 0.000 0.242 236 G HA3 -0.209 3.752 3.960 0.002 0.000 0.242 236 G C -0.221 174.619 174.900 -0.101 0.000 1.277 236 G CA 0.218 45.295 45.100 -0.038 0.000 0.910 236 G HN 0.602 nan 8.290 nan 0.000 0.576 237 K N -1.507 118.839 120.400 -0.090 0.000 2.409 237 K HA 0.586 4.907 4.320 0.002 0.000 0.252 237 K C 0.978 177.544 176.600 -0.057 0.000 1.036 237 K CA -0.846 55.349 56.287 -0.153 0.000 0.871 237 K CB 1.332 33.781 32.500 -0.086 0.000 1.374 237 K HN 0.386 nan 8.250 nan 0.000 0.459 238 Y N 0.775 121.138 120.300 0.105 0.000 2.073 238 Y HA -0.338 4.213 4.550 0.002 0.000 0.270 238 Y C 1.314 177.376 175.900 0.271 0.000 1.226 238 Y CA 2.022 60.272 58.100 0.249 0.000 1.117 238 Y CB -0.562 38.090 38.460 0.320 0.000 0.939 238 Y HN 0.597 nan 8.280 nan 0.000 0.504 239 N N -0.276 118.586 118.700 0.269 0.000 2.268 239 N HA -0.005 4.736 4.740 0.002 0.000 0.204 239 N C -0.342 175.201 175.510 0.054 0.000 1.124 239 N CA -0.311 52.800 53.050 0.102 0.000 0.838 239 N CB 0.192 38.684 38.487 0.008 0.000 0.994 239 N HN 0.254 nan 8.380 nan 0.000 0.489 240 D N 1.110 121.536 120.400 0.043 0.000 2.371 240 D HA 0.092 4.734 4.640 0.002 0.000 0.242 240 D C 0.327 176.592 176.300 -0.059 0.000 1.218 240 D CA 0.073 54.065 54.000 -0.013 0.000 0.945 240 D CB 1.610 42.390 40.800 -0.033 0.000 1.137 240 D HN -0.139 nan 8.370 nan 0.000 0.464 241 V N -1.556 118.288 119.914 -0.117 0.000 2.769 241 V HA 0.334 4.456 4.120 0.002 0.000 0.312 241 V C -1.708 174.141 176.094 -0.408 0.000 1.058 241 V CA -1.477 60.648 62.300 -0.292 0.000 0.952 241 V CB 1.571 33.322 31.823 -0.119 0.000 1.019 241 V HN 0.356 nan 8.190 nan 0.000 0.445 242 P HA -0.227 nan 4.420 nan 0.000 0.214 242 P C 1.132 178.324 177.300 -0.179 0.000 1.172 242 P CA 1.802 64.625 63.100 -0.462 0.000 0.925 242 P CB 0.175 31.490 31.700 -0.642 0.000 0.793 243 E N 0.065 120.165 120.200 -0.167 0.000 2.455 243 E HA -0.096 4.255 4.350 0.002 0.000 0.202 243 E C 1.764 178.343 176.600 -0.035 0.000 1.045 243 E CA 1.230 57.593 56.400 -0.062 0.000 0.872 243 E CB -0.748 28.929 29.700 -0.039 0.000 0.792 243 E HN 0.455 nan 8.360 nan 0.000 0.542 244 S N -0.465 115.205 115.700 -0.050 0.000 2.597 244 S HA 0.059 4.530 4.470 0.002 0.000 0.224 244 S C 0.767 175.365 174.600 -0.004 0.000 0.955 244 S CA -0.160 58.025 58.200 -0.024 0.000 0.933 244 S CB -0.179 63.003 63.200 -0.030 0.000 0.788 244 S HN 0.145 nan 8.310 nan 0.000 0.488 245 T N -3.412 111.154 114.554 0.019 0.000 2.916 245 T HA 0.715 5.066 4.350 0.002 0.000 0.292 245 T C 1.124 175.862 174.700 0.063 0.000 1.055 245 T CA -0.253 61.882 62.100 0.058 0.000 1.009 245 T CB 1.330 70.279 68.868 0.135 0.000 1.118 245 T HN 0.037 nan 8.240 nan 0.000 0.497 246 G N -0.197 108.638 108.800 0.058 0.000 2.464 246 G HA2 0.018 3.979 3.960 0.002 0.000 0.217 246 G HA3 0.018 3.979 3.960 0.002 0.000 0.217 246 G C 0.929 175.851 174.900 0.037 0.000 1.138 246 G CA -0.038 45.085 45.100 0.038 0.000 0.793 246 G HN 0.649 nan 8.290 nan 0.000 0.539 247 F N 0.344 120.223 119.950 -0.119 0.000 2.128 247 F HA 0.216 4.744 4.527 0.002 0.000 0.295 247 F C 1.774 177.376 175.800 -0.329 0.000 1.100 247 F CA 0.966 58.803 58.000 -0.273 0.000 1.260 247 F CB 0.164 38.888 39.000 -0.461 0.000 1.009 247 F HN 0.101 nan 8.300 nan 0.000 0.476 248 F N 0.663 120.676 119.950 0.106 0.000 2.749 248 F HA 0.148 4.676 4.527 0.002 0.000 0.300 248 F C 1.115 176.813 175.800 -0.170 0.000 1.103 248 F CA -0.301 57.595 58.000 -0.174 0.000 1.342 248 F CB -0.736 38.139 39.000 -0.208 0.000 1.098 248 F HN -0.191 nan 8.300 nan 0.000 0.586 249 K N -0.079 120.376 120.400 0.091 0.000 2.132 249 K HA 0.224 4.545 4.320 0.002 0.000 0.240 249 K C 0.678 177.358 176.600 0.134 0.000 1.036 249 K CA -0.495 55.833 56.287 0.068 0.000 0.888 249 K CB 0.364 32.888 32.500 0.040 0.000 1.071 249 K HN -0.085 nan 8.250 nan 0.000 0.502 250 S N 1.195 116.953 115.700 0.098 0.000 2.563 250 S HA -0.063 4.408 4.470 0.002 0.000 0.294 250 S C -0.031 174.616 174.600 0.078 0.000 1.279 250 S CA 0.186 58.451 58.200 0.108 0.000 1.069 250 S CB -0.793 62.444 63.200 0.060 0.000 0.828 250 S HN 0.818 nan 8.310 nan 0.000 0.497 251 N N 1.812 120.546 118.700 0.058 0.000 2.693 251 N HA -0.146 4.595 4.740 0.002 0.000 0.249 251 N C 0.382 175.863 175.510 -0.049 0.000 1.119 251 N CA 1.099 54.128 53.050 -0.035 0.000 0.717 251 N CB -1.802 36.667 38.487 -0.031 0.000 1.071 251 N HN 0.747 nan 8.380 nan 0.000 0.555 252 G N -0.366 108.447 108.800 0.021 0.000 2.553 252 G HA2 0.240 4.201 3.960 0.002 0.000 0.278 252 G HA3 0.240 4.201 3.960 0.002 0.000 0.278 252 G C 1.114 175.908 174.900 -0.177 0.000 1.349 252 G CA 0.494 45.582 45.100 -0.020 0.000 1.037 252 G HN 0.132 nan 8.290 nan 0.000 0.508 253 T N -0.156 114.231 114.554 -0.277 0.000 2.803 253 T HA -0.226 4.125 4.350 0.002 0.000 0.269 253 T C 1.979 176.249 174.700 -0.717 0.000 1.052 253 T CA 2.118 63.949 62.100 -0.449 0.000 1.136 253 T CB -0.436 68.198 68.868 -0.390 0.000 0.864 253 T HN 0.622 nan 8.240 nan 0.000 0.467 254 Y N 1.947 121.563 120.300 -1.139 0.000 2.569 254 Y HA 0.050 4.601 4.550 0.002 0.000 0.293 254 Y C 1.860 177.534 175.900 -0.377 0.000 1.144 254 Y CA 0.110 57.631 58.100 -0.966 0.000 1.321 254 Y CB -0.936 37.044 38.460 -0.800 0.000 0.982 254 Y HN 0.189 nan 8.280 nan 0.000 0.558 255 V N -1.854 117.575 119.914 -0.809 0.000 3.621 255 V HA 0.225 4.346 4.120 0.002 0.000 0.285 255 V C 0.840 176.732 176.094 -0.336 0.000 1.346 255 V CA 0.163 62.086 62.300 -0.628 0.000 1.104 255 V CB -1.225 30.206 31.823 -0.652 0.000 0.913 255 V HN 0.463 nan 8.190 nan 0.000 0.432 256 T N -2.759 111.607 114.554 -0.313 0.000 2.816 256 T HA 0.266 4.617 4.350 0.002 0.000 0.282 256 T C 0.983 175.563 174.700 -0.199 0.000 0.993 256 T CA 0.474 62.437 62.100 -0.229 0.000 0.994 256 T CB 1.709 70.430 68.868 -0.246 0.000 1.025 256 T HN 0.419 nan 8.240 nan 0.000 0.529 257 E N 0.336 120.441 120.200 -0.158 0.000 2.085 257 E HA -0.219 4.132 4.350 0.002 0.000 0.194 257 E C 2.053 178.453 176.600 -0.335 0.000 0.994 257 E CA 1.277 57.610 56.400 -0.111 0.000 0.801 257 E CB -0.087 29.616 29.700 0.005 0.000 0.743 257 E HN 0.758 nan 8.360 nan 0.000 0.453 258 K N -0.256 119.743 120.400 -0.668 0.000 2.026 258 K HA -0.115 4.206 4.320 0.002 0.000 0.208 258 K C 2.137 178.420 176.600 -0.529 0.000 1.048 258 K CA 1.464 56.999 56.287 -1.254 0.000 0.929 258 K CB -0.384 31.340 32.500 -1.294 0.000 0.713 258 K HN 0.190 nan 8.250 nan 0.000 0.439 259 G N 1.388 109.987 108.800 -0.335 0.000 2.418 259 G HA2 -0.239 3.722 3.960 0.002 0.000 0.217 259 G HA3 -0.239 3.722 3.960 0.002 0.000 0.217 259 G C 1.297 176.190 174.900 -0.013 0.000 1.158 259 G CA 0.775 45.773 45.100 -0.170 0.000 0.771 259 G HN 0.316 nan 8.290 nan 0.000 0.545 260 K N -0.623 119.763 120.400 -0.024 0.000 2.211 260 K HA 0.023 4.344 4.320 0.002 0.000 0.203 260 K C 2.103 178.806 176.600 0.170 0.000 1.050 260 K CA 0.742 57.096 56.287 0.112 0.000 0.945 260 K CB -0.208 32.369 32.500 0.128 0.000 0.732 260 K HN 0.381 nan 8.250 nan 0.000 0.451 261 F N 0.927 120.892 119.950 0.025 0.000 2.163 261 F HA -0.160 4.368 4.527 0.002 0.000 0.297 261 F C 2.020 177.964 175.800 0.241 0.000 1.094 261 F CA 0.957 59.041 58.000 0.140 0.000 1.290 261 F CB -0.192 38.885 39.000 0.129 0.000 1.017 261 F HN -0.054 nan 8.300 nan 0.000 0.483 262 F N 0.987 121.101 119.950 0.272 0.000 2.102 262 F HA -0.180 4.348 4.527 0.002 0.000 0.298 262 F C 1.798 177.646 175.800 0.080 0.000 1.105 262 F CA 1.821 59.947 58.000 0.210 0.000 1.239 262 F CB -0.813 38.124 39.000 -0.105 0.000 0.991 262 F HN -0.046 nan 8.300 nan 0.000 0.474 263 L N -0.322 120.665 121.223 -0.393 0.000 2.083 263 L HA -0.223 4.118 4.340 0.002 0.000 0.209 263 L C 2.345 178.934 176.870 -0.470 0.000 1.083 263 L CA 1.768 56.183 54.840 -0.708 0.000 0.752 263 L CB -1.190 40.193 42.059 -1.126 0.000 0.899 263 L HN 0.190 nan 8.230 nan 0.000 0.433 264 T N -1.489 112.966 114.554 -0.166 0.000 2.812 264 T HA -0.217 4.134 4.350 0.002 0.000 0.264 264 T C 1.346 176.016 174.700 -0.051 0.000 1.042 264 T CA 1.303 63.429 62.100 0.044 0.000 1.140 264 T CB -0.307 68.597 68.868 0.060 0.000 0.870 264 T HN 0.531 nan 8.240 nan 0.000 0.445 265 W N 0.833 121.952 121.300 -0.303 0.000 2.355 265 W HA -0.161 4.500 4.660 0.002 0.000 0.309 265 W C 2.028 178.476 176.519 -0.119 0.000 1.206 265 W CA 0.719 57.944 57.345 -0.201 0.000 1.284 265 W CB -0.632 28.777 29.460 -0.084 0.000 1.145 265 W HN 0.245 nan 8.180 nan 0.000 0.502 266 Y N 1.930 121.929 120.300 -0.502 0.000 2.128 266 Y HA -0.274 4.277 4.550 0.002 0.000 0.284 266 Y C 2.910 178.585 175.900 -0.375 0.000 1.154 266 Y CA 2.983 60.640 58.100 -0.739 0.000 1.149 266 Y CB -0.938 36.919 38.460 -1.005 0.000 0.976 266 Y HN 0.067 nan 8.280 nan 0.000 0.505 267 S N -0.925 114.663 115.700 -0.186 0.000 2.428 267 S HA -0.145 4.326 4.470 0.002 0.000 0.230 267 S C 1.713 176.237 174.600 -0.127 0.000 1.014 267 S CA 1.134 59.270 58.200 -0.108 0.000 0.957 267 S CB -0.786 62.453 63.200 0.065 0.000 0.784 267 S HN 0.602 nan 8.310 nan 0.000 0.499 268 N N 1.376 119.983 118.700 -0.155 0.000 2.244 268 N HA -0.027 4.714 4.740 0.002 0.000 0.183 268 N C 1.499 176.905 175.510 -0.173 0.000 1.016 268 N CA 0.791 53.764 53.050 -0.129 0.000 0.866 268 N CB -0.019 38.402 38.487 -0.110 0.000 0.980 268 N HN 0.251 nan 8.380 nan 0.000 0.430 269 K N 1.209 121.422 120.400 -0.311 0.000 2.103 269 K HA -0.102 4.219 4.320 0.002 0.000 0.207 269 K C 1.946 178.436 176.600 -0.184 0.000 1.048 269 K CA 0.771 56.890 56.287 -0.281 0.000 0.930 269 K CB -0.439 31.813 32.500 -0.413 0.000 0.716 269 K HN 0.319 nan 8.250 nan 0.000 0.444 270 L N 0.343 121.432 121.223 -0.223 0.000 2.072 270 L HA -0.106 4.235 4.340 0.002 0.000 0.205 270 L C 2.462 179.319 176.870 -0.022 0.000 1.079 270 L CA 0.660 55.402 54.840 -0.164 0.000 0.752 270 L CB -0.444 41.479 42.059 -0.227 0.000 0.906 270 L HN 0.072 nan 8.230 nan 0.000 0.436 271 L N -0.087 121.118 121.223 -0.029 0.000 2.012 271 L HA -0.238 4.103 4.340 0.002 0.000 0.210 271 L C 2.349 179.229 176.870 0.016 0.000 1.073 271 L CA 1.263 56.105 54.840 0.003 0.000 0.748 271 L CB -0.547 41.510 42.059 -0.003 0.000 0.891 271 L HN 0.386 nan 8.230 nan 0.000 0.431 272 N N -1.292 117.414 118.700 0.011 0.000 2.331 272 N HA -0.187 4.555 4.740 0.002 0.000 0.180 272 N C 1.767 177.307 175.510 0.051 0.000 1.019 272 N CA 0.928 53.995 53.050 0.027 0.000 0.881 272 N CB -0.258 38.240 38.487 0.020 0.000 0.972 272 N HN 0.421 nan 8.380 nan 0.000 0.435 273 H N 0.500 119.541 119.070 -0.049 0.000 2.321 273 H HA -0.010 4.547 4.556 0.002 0.000 0.300 273 H C 2.039 177.345 175.328 -0.037 0.000 1.087 273 H CA 2.171 58.197 56.048 -0.038 0.000 1.319 273 H CB -0.555 29.170 29.762 -0.061 0.000 1.379 273 H HN 0.175 nan 8.280 nan 0.000 0.501 274 G N -0.514 108.249 108.800 -0.062 0.000 2.402 274 G HA2 -0.289 3.672 3.960 0.002 0.000 0.216 274 G HA3 -0.289 3.672 3.960 0.002 0.000 0.216 274 G C 1.564 176.377 174.900 -0.144 0.000 1.162 274 G CA 0.922 45.938 45.100 -0.138 0.000 0.777 274 G HN 0.508 nan 8.290 nan 0.000 0.539 275 D N 0.259 120.632 120.400 -0.046 0.000 2.104 275 D HA -0.100 4.541 4.640 0.002 0.000 0.194 275 D C 2.630 178.925 176.300 -0.008 0.000 0.994 275 D CA 1.166 55.187 54.000 0.035 0.000 0.830 275 D CB -0.167 40.690 40.800 0.094 0.000 0.959 275 D HN 0.412 nan 8.370 nan 0.000 0.452 276 Q N -0.545 119.236 119.800 -0.032 0.000 2.119 276 Q HA -0.047 4.294 4.340 0.002 0.000 0.201 276 Q C 2.441 178.393 176.000 -0.079 0.000 0.972 276 Q CA 0.880 56.665 55.803 -0.029 0.000 0.847 276 Q CB 0.069 28.797 28.738 -0.016 0.000 0.903 276 Q HN 0.422 nan 8.270 nan 0.000 0.433 277 I N 0.283 120.757 120.570 -0.161 0.000 2.439 277 I HA -0.227 3.944 4.170 0.002 0.000 0.251 277 I C 2.004 178.023 176.117 -0.164 0.000 1.139 277 I CA 0.752 61.953 61.300 -0.165 0.000 1.438 277 I CB -0.069 37.766 38.000 -0.276 0.000 1.085 277 I HN 0.199 nan 8.210 nan 0.000 0.427 278 L N 0.261 121.317 121.223 -0.280 0.000 2.141 278 L HA -0.217 4.125 4.340 0.002 0.000 0.209 278 L C 2.120 178.808 176.870 -0.303 0.000 1.094 278 L CA 1.103 55.682 54.840 -0.436 0.000 0.763 278 L CB -0.593 40.886 42.059 -0.966 0.000 0.908 278 L HN 0.290 nan 8.230 nan 0.000 0.437 279 D N -0.024 120.298 120.400 -0.130 0.000 2.104 279 D HA -0.190 4.451 4.640 0.002 0.000 0.194 279 D C 2.080 178.409 176.300 0.049 0.000 0.994 279 D CA 1.185 55.241 54.000 0.093 0.000 0.830 279 D CB 0.034 40.895 40.800 0.103 0.000 0.959 279 D HN 0.290 nan 8.370 nan 0.000 0.452 280 E N 0.634 120.840 120.200 0.009 0.000 2.150 280 E HA -0.083 4.268 4.350 0.002 0.000 0.193 280 E C 2.051 178.671 176.600 0.034 0.000 0.985 280 E CA 0.583 56.992 56.400 0.016 0.000 0.814 280 E CB -0.262 29.442 29.700 0.006 0.000 0.752 280 E HN 0.224 nan 8.360 nan 0.000 0.466 281 A N 1.620 124.475 122.820 0.058 0.000 1.969 281 A HA -0.142 4.179 4.320 0.002 0.000 0.218 281 A C 1.997 179.714 177.584 0.222 0.000 1.169 281 A CA 1.089 53.230 52.037 0.173 0.000 0.635 281 A CB -0.355 18.736 19.000 0.152 0.000 0.810 281 A HN 0.139 nan 8.150 nan 0.000 0.445 282 N N -0.017 118.773 118.700 0.150 0.000 2.188 282 N HA -0.115 4.627 4.740 0.002 0.000 0.184 282 N C 1.637 177.222 175.510 0.125 0.000 1.018 282 N CA 1.370 54.527 53.050 0.179 0.000 0.858 282 N CB -0.180 38.428 38.487 0.202 0.000 0.989 282 N HN 0.551 nan 8.380 nan 0.000 0.426 283 K N 0.903 121.345 120.400 0.070 0.000 2.057 283 K HA 0.026 4.347 4.320 0.002 0.000 0.206 283 K C 2.160 178.731 176.600 -0.048 0.000 1.050 283 K CA 1.062 57.361 56.287 0.021 0.000 0.935 283 K CB -0.086 32.419 32.500 0.009 0.000 0.715 283 K HN 0.075 nan 8.250 nan 0.000 0.439 284 A N 0.854 123.599 122.820 -0.126 0.000 1.877 284 A HA -0.123 4.198 4.320 0.002 0.000 0.216 284 A C 1.467 178.723 177.584 -0.547 0.000 1.186 284 A CA 1.376 53.179 52.037 -0.390 0.000 0.620 284 A CB -0.486 18.160 19.000 -0.590 0.000 0.822 284 A HN 0.252 nan 8.150 nan 0.000 0.443 285 F N -0.850 119.127 119.950 0.045 0.000 2.639 285 F HA 0.333 4.861 4.527 0.002 0.000 0.300 285 F C 0.402 176.226 175.800 0.041 0.000 1.109 285 F CA -1.197 56.830 58.000 0.045 0.000 1.335 285 F CB -0.300 38.732 39.000 0.053 0.000 1.014 285 F HN 0.096 nan 8.300 nan 0.000 0.537 286 L N 1.263 122.559 121.223 0.120 0.000 2.640 286 L HA 0.254 4.595 4.340 0.002 0.000 0.280 286 L C 1.289 178.208 176.870 0.081 0.000 1.229 286 L CA 1.028 55.925 54.840 0.095 0.000 0.919 286 L CB -0.066 42.025 42.059 0.052 0.000 1.168 286 L HN 0.529 nan 8.230 nan 0.000 0.496 287 G N 2.344 111.189 108.800 0.075 0.000 2.234 287 G HA2 -0.303 3.658 3.960 0.002 0.000 0.260 287 G HA3 -0.303 3.658 3.960 0.002 0.000 0.260 287 G C 0.593 175.533 174.900 0.067 0.000 0.987 287 G CA 0.159 45.292 45.100 0.055 0.000 0.625 287 G HN 0.878 nan 8.290 nan 0.000 0.532 288 C N 1.228 120.593 119.300 0.108 0.000 2.605 288 C HA 0.464 4.925 4.460 0.002 0.000 0.404 288 C C 1.235 176.277 174.990 0.087 0.000 1.284 288 C CA -0.238 58.849 59.018 0.114 0.000 2.199 288 C CB 0.828 28.686 27.740 0.198 0.000 2.647 288 C HN 0.443 nan 8.230 nan 0.000 0.604 289 K N 2.146 122.587 120.400 0.069 0.000 2.278 289 K HA 0.385 4.706 4.320 0.002 0.000 0.237 289 K C -0.220 176.416 176.600 0.060 0.000 1.229 289 K CA 0.033 56.354 56.287 0.058 0.000 1.155 289 K CB -0.129 32.401 32.500 0.051 0.000 1.590 289 K HN 0.630 nan 8.250 nan 0.000 0.290 290 V N -2.117 117.828 119.914 0.050 0.000 3.188 290 V HA 0.537 4.658 4.120 0.002 0.000 0.305 290 V C -1.234 174.873 176.094 0.021 0.000 1.232 290 V CA -1.328 60.985 62.300 0.022 0.000 1.043 290 V CB 2.305 34.094 31.823 -0.057 0.000 1.068 290 V HN 0.091 nan 8.190 nan 0.000 0.439 291 K N 1.924 122.334 120.400 0.016 0.000 2.203 291 K HA 0.712 5.033 4.320 0.002 0.000 0.251 291 K C -0.885 175.695 176.600 -0.033 0.000 0.944 291 K CA -0.567 55.730 56.287 0.017 0.000 0.829 291 K CB 2.330 34.861 32.500 0.051 0.000 1.125 291 K HN 0.758 nan 8.250 nan 0.000 0.430 292 L N 1.045 122.258 121.223 -0.017 0.000 2.399 292 L HA 0.700 5.042 4.340 0.002 0.000 0.265 292 L C 0.139 176.985 176.870 -0.041 0.000 1.089 292 L CA -0.647 54.166 54.840 -0.045 0.000 0.802 292 L CB 1.461 43.520 42.059 -0.000 0.000 1.180 292 L HN 0.730 nan 8.230 nan 0.000 0.454 293 A N 1.945 124.729 122.820 -0.060 0.000 2.601 293 A HA 0.820 5.141 4.320 0.002 0.000 0.291 293 A C -1.263 176.287 177.584 -0.056 0.000 1.075 293 A CA -0.491 51.519 52.037 -0.044 0.000 0.671 293 A CB 1.718 20.701 19.000 -0.027 0.000 1.277 293 A HN 0.695 nan 8.150 nan 0.000 0.417 294 I N -2.202 118.345 120.570 -0.038 0.000 3.174 294 I HA 0.920 5.091 4.170 0.002 0.000 0.313 294 I C -0.917 175.192 176.117 -0.014 0.000 1.155 294 I CA -1.131 60.144 61.300 -0.041 0.000 0.977 294 I CB 2.233 40.209 38.000 -0.041 0.000 1.248 294 I HN 0.511 nan 8.210 nan 0.000 0.453 295 K N 2.550 122.941 120.400 -0.015 0.000 2.274 295 K HA 0.682 5.003 4.320 0.002 0.000 0.262 295 K C -1.778 174.858 176.600 0.059 0.000 0.961 295 K CA -0.562 55.734 56.287 0.014 0.000 0.833 295 K CB 1.800 34.285 32.500 -0.025 0.000 1.102 295 K HN 0.589 nan 8.250 nan 0.000 0.436 296 V N 3.284 123.276 119.914 0.131 0.000 2.435 296 V HA 0.384 4.505 4.120 0.002 0.000 0.290 296 V C 0.022 176.264 176.094 0.246 0.000 1.030 296 V CA -0.838 61.584 62.300 0.204 0.000 0.881 296 V CB 1.525 33.433 31.823 0.142 0.000 0.983 296 V HN 0.907 nan 8.190 nan 0.000 0.445 297 S N 3.212 119.092 115.700 0.300 0.000 2.585 297 S HA 0.482 4.953 4.470 0.002 0.000 0.273 297 S C 0.501 175.210 174.600 0.182 0.000 1.339 297 S CA 0.026 58.362 58.200 0.226 0.000 1.028 297 S CB 0.839 64.233 63.200 0.323 0.000 0.906 297 S HN 1.079 nan 8.310 nan 0.000 0.528 298 G N 3.861 112.624 108.800 -0.063 0.000 2.655 298 G HA2 0.499 4.460 3.960 0.002 0.000 0.334 298 G HA3 0.499 4.460 3.960 0.002 0.000 0.334 298 G C -0.452 174.438 174.900 -0.017 0.000 1.099 298 G CA -0.488 44.520 45.100 -0.153 0.000 1.075 298 G HN 0.637 nan 8.290 nan 0.000 0.463 299 I N 3.959 124.480 120.570 -0.082 0.000 2.276 299 I HA 0.154 4.325 4.170 0.002 0.000 0.290 299 I C 0.945 176.805 176.117 -0.428 0.000 1.109 299 I CA -0.715 60.190 61.300 -0.657 0.000 1.229 299 I CB 0.055 37.765 38.000 -0.484 0.000 1.452 299 I HN 0.764 nan 8.210 nan 0.000 0.497 300 H N 3.024 121.964 119.070 -0.217 0.000 2.563 300 H HA 0.088 4.645 4.556 0.002 0.000 0.264 300 H C 0.095 175.535 175.328 0.187 0.000 0.957 300 H CA -0.702 55.377 56.048 0.052 0.000 1.173 300 H CB -0.367 29.458 29.762 0.104 0.000 1.420 300 H HN 0.529 nan 8.280 nan 0.000 0.551 301 W N -0.379 120.806 121.300 -0.191 0.000 2.287 301 W HA 0.336 4.997 4.660 0.002 0.000 0.313 301 W C -0.524 175.901 176.519 -0.155 0.000 1.267 301 W CA -1.329 55.848 57.345 -0.279 0.000 1.201 301 W CB 0.231 29.383 29.460 -0.512 0.000 1.196 301 W HN 0.312 nan 8.180 nan 0.000 0.536 302 W N 0.585 121.946 121.300 0.102 0.000 1.619 302 W HA -0.370 4.291 4.660 0.002 0.000 0.250 302 W C 1.446 177.887 176.519 -0.131 0.000 1.014 302 W CA 0.558 57.877 57.345 -0.044 0.000 0.427 302 W CB -2.253 27.137 29.460 -0.117 0.000 2.027 302 W HN 0.692 nan 8.180 nan 0.000 1.216 303 Y N 1.755 122.044 120.300 -0.019 0.000 2.333 303 Y HA -0.150 4.401 4.550 0.002 0.000 0.290 303 Y C 2.141 177.886 175.900 -0.257 0.000 1.144 303 Y CA 2.158 60.194 58.100 -0.106 0.000 1.228 303 Y CB -0.030 38.472 38.460 0.071 0.000 0.985 303 Y HN -0.183 nan 8.280 nan 0.000 0.542 304 K N 0.535 120.952 120.400 0.028 0.000 2.486 304 K HA 0.053 4.375 4.320 0.002 0.000 0.194 304 K C 0.268 176.836 176.600 -0.053 0.000 1.033 304 K CA 0.741 57.033 56.287 0.009 0.000 1.004 304 K CB -0.356 32.185 32.500 0.068 0.000 0.798 304 K HN 0.268 nan 8.250 nan 0.000 0.495 305 V N -2.458 117.399 119.914 -0.094 0.000 2.881 305 V HA 0.277 4.398 4.120 0.002 0.000 0.316 305 V C 1.230 177.257 176.094 -0.112 0.000 1.070 305 V CA -0.871 61.412 62.300 -0.028 0.000 0.976 305 V CB 1.912 33.803 31.823 0.113 0.000 1.038 305 V HN -0.014 nan 8.190 nan 0.000 0.446 306 E N 1.965 122.180 120.200 0.026 0.000 2.147 306 E HA -0.253 4.098 4.350 0.002 0.000 0.199 306 E C 1.765 178.506 176.600 0.235 0.000 1.005 306 E CA 2.181 58.667 56.400 0.143 0.000 0.810 306 E CB -0.083 29.722 29.700 0.176 0.000 0.736 306 E HN 0.961 nan 8.360 nan 0.000 0.460 307 N N 0.005 118.740 118.700 0.058 0.000 2.409 307 N HA -0.166 4.575 4.740 0.002 0.000 0.179 307 N C -0.141 175.429 175.510 0.099 0.000 1.032 307 N CA 0.655 53.646 53.050 -0.099 0.000 0.898 307 N CB -0.295 37.997 38.487 -0.326 0.000 0.971 307 N HN 0.277 nan 8.380 nan 0.000 0.441 308 H N 0.163 119.221 119.070 -0.021 0.000 2.557 308 H HA -0.165 4.393 4.556 0.002 0.000 0.319 308 H C 1.399 176.684 175.328 -0.072 0.000 1.102 308 H CA 0.363 56.420 56.048 0.016 0.000 1.126 308 H CB -1.156 28.631 29.762 0.042 0.000 1.498 308 H HN 0.535 nan 8.280 nan 0.000 0.411 309 A N 0.794 123.466 122.820 -0.246 0.000 1.892 309 A HA -0.130 4.191 4.320 0.002 0.000 0.218 309 A C 2.545 179.811 177.584 -0.529 0.000 1.188 309 A CA 2.178 53.727 52.037 -0.815 0.000 0.631 309 A CB -0.662 17.477 19.000 -1.436 0.000 0.822 309 A HN 0.653 nan 8.150 nan 0.000 0.447 310 A N -0.444 122.228 122.820 -0.247 0.000 1.902 310 A HA -0.190 4.132 4.320 0.002 0.000 0.217 310 A C 1.920 179.392 177.584 -0.185 0.000 1.181 310 A CA 1.784 53.690 52.037 -0.218 0.000 0.623 310 A CB -0.537 18.203 19.000 -0.434 0.000 0.818 310 A HN 0.665 nan 8.150 nan 0.000 0.443 311 E N -0.679 119.492 120.200 -0.048 0.000 2.072 311 E HA -0.131 4.220 4.350 0.002 0.000 0.191 311 E C 1.814 178.503 176.600 0.149 0.000 0.985 311 E CA 1.001 57.480 56.400 0.132 0.000 0.801 311 E CB -0.218 29.662 29.700 0.301 0.000 0.750 311 E HN 0.452 nan 8.360 nan 0.000 0.452 312 L N 0.707 122.035 121.223 0.175 0.000 2.046 312 L HA -0.168 4.173 4.340 0.002 0.000 0.208 312 L C 2.669 179.748 176.870 0.348 0.000 1.077 312 L CA 2.018 57.052 54.840 0.323 0.000 0.747 312 L CB -0.896 41.479 42.059 0.527 0.000 0.896 312 L HN 0.276 nan 8.230 nan 0.000 0.432 313 T N -4.051 110.516 114.554 0.021 0.000 2.995 313 T HA -0.011 4.340 4.350 0.002 0.000 0.269 313 T C 1.803 176.594 174.700 0.150 0.000 1.091 313 T CA 0.730 62.719 62.100 -0.184 0.000 1.128 313 T CB -0.356 68.210 68.868 -0.504 0.000 0.891 313 T HN 0.227 nan 8.240 nan 0.000 0.492 314 A N 1.063 123.929 122.820 0.077 0.000 2.067 314 A HA 0.553 4.874 4.320 0.002 0.000 0.217 314 A C 2.138 179.666 177.584 -0.093 0.000 1.156 314 A CA 0.913 52.938 52.037 -0.020 0.000 0.683 314 A CB -0.867 18.042 19.000 -0.152 0.000 0.808 314 A HN 1.329 nan 8.150 nan 0.000 0.455 315 G N -3.111 105.707 108.800 0.029 0.000 2.192 315 G HA2 -0.163 3.798 3.960 0.002 0.000 0.193 315 G HA3 -0.163 3.798 3.960 0.002 0.000 0.193 315 G C -0.318 174.516 174.900 -0.110 0.000 0.999 315 G CA -0.029 45.035 45.100 -0.060 0.000 0.659 315 G HN 0.334 nan 8.290 nan 0.000 0.503 316 Y N 0.861 121.228 120.300 0.113 0.000 2.434 316 Y HA 0.445 4.997 4.550 0.002 0.000 0.341 316 Y C 0.534 176.456 175.900 0.037 0.000 0.965 316 Y CA -1.983 56.097 58.100 -0.034 0.000 1.205 316 Y CB 0.366 38.742 38.460 -0.140 0.000 1.121 316 Y HN 0.280 nan 8.280 nan 0.000 0.507 317 Y N 4.470 124.785 120.300 0.025 0.000 2.603 317 Y HA 0.098 4.649 4.550 0.002 0.000 0.341 317 Y C -0.137 175.705 175.900 -0.096 0.000 1.272 317 Y CA -0.436 57.675 58.100 0.019 0.000 1.891 317 Y CB -0.201 38.271 38.460 0.021 0.000 1.910 317 Y HN 0.605 nan 8.280 nan 0.000 0.432 318 N N 4.330 123.048 118.700 0.030 0.000 2.424 318 N HA 0.472 5.213 4.740 0.002 0.000 0.271 318 N C -1.573 173.679 175.510 -0.431 0.000 0.985 318 N CA -0.244 52.653 53.050 -0.255 0.000 0.921 318 N CB 0.926 39.225 38.487 -0.313 0.000 1.149 318 N HN 0.519 nan 8.380 nan 0.000 0.492 319 L N 2.049 123.000 121.223 -0.454 0.000 2.277 319 L HA 0.488 4.829 4.340 0.002 0.000 0.254 319 L C 0.980 177.653 176.870 -0.328 0.000 1.044 319 L CA -1.034 53.546 54.840 -0.434 0.000 0.842 319 L CB 1.181 43.198 42.059 -0.069 0.000 1.422 319 L HN 0.396 nan 8.230 nan 0.000 0.422 320 N N 0.695 119.350 118.700 -0.075 0.000 2.272 320 N HA -0.164 4.577 4.740 0.002 0.000 0.185 320 N C 0.414 175.898 175.510 -0.043 0.000 1.014 320 N CA 1.379 54.429 53.050 -0.000 0.000 0.870 320 N CB -0.120 38.412 38.487 0.075 0.000 0.975 320 N HN 0.626 nan 8.380 nan 0.000 0.433 321 D N -1.570 118.791 120.400 -0.065 0.000 2.571 321 D HA 0.104 4.745 4.640 0.002 0.000 0.239 321 D C -0.218 176.011 176.300 -0.118 0.000 1.267 321 D CA -0.199 53.758 54.000 -0.071 0.000 0.823 321 D CB 0.155 40.927 40.800 -0.046 0.000 1.056 321 D HN 0.038 nan 8.370 nan 0.000 0.494 322 R N 0.961 121.358 120.500 -0.171 0.000 2.531 322 R HA 0.124 4.465 4.340 0.002 0.000 0.293 322 R C -1.616 174.547 176.300 -0.228 0.000 1.124 322 R CA -0.473 55.489 56.100 -0.231 0.000 0.945 322 R CB 1.217 31.288 30.300 -0.382 0.000 1.195 322 R HN -0.181 nan 8.270 nan 0.000 0.433 323 D N 3.161 123.460 120.400 -0.168 0.000 2.344 323 D HA 0.086 4.728 4.640 0.002 0.000 0.253 323 D C 0.751 176.936 176.300 -0.190 0.000 1.255 323 D CA 0.372 54.290 54.000 -0.137 0.000 0.894 323 D CB 1.285 42.037 40.800 -0.079 0.000 1.067 323 D HN 0.833 nan 8.370 nan 0.000 0.492 324 G N 2.695 111.313 108.800 -0.303 0.000 2.985 324 G HA2 -0.146 3.815 3.960 0.002 0.000 0.209 324 G HA3 -0.146 3.815 3.960 0.002 0.000 0.209 324 G C 0.622 175.204 174.900 -0.531 0.000 1.165 324 G CA 0.284 45.145 45.100 -0.398 0.000 0.776 324 G HN 0.459 nan 8.290 nan 0.000 0.541 325 Y N -0.910 119.324 120.300 -0.111 0.000 2.607 325 Y HA 0.281 4.832 4.550 0.002 0.000 0.276 325 Y C 2.556 178.363 175.900 -0.154 0.000 1.117 325 Y CA -0.190 57.801 58.100 -0.181 0.000 1.273 325 Y CB -0.086 38.205 38.460 -0.282 0.000 1.282 325 Y HN 0.065 nan 8.280 nan 0.000 0.514 326 R N 0.712 121.216 120.500 0.006 0.000 2.139 326 R HA -0.131 4.210 4.340 0.002 0.000 0.243 326 R C -1.120 175.162 176.300 -0.029 0.000 1.145 326 R CA 1.597 57.679 56.100 -0.030 0.000 0.976 326 R CB -1.046 29.230 30.300 -0.041 0.000 0.866 326 R HN 0.217 nan 8.270 nan 0.000 0.449 327 P HA -0.104 nan 4.420 nan 0.000 0.219 327 P C 0.798 178.093 177.300 -0.009 0.000 1.150 327 P CA 1.176 64.262 63.100 -0.023 0.000 0.814 327 P CB 0.060 31.743 31.700 -0.030 0.000 0.787 328 I N -0.899 119.668 120.570 -0.006 0.000 2.315 328 I HA -0.200 3.971 4.170 0.002 0.000 0.248 328 I C 2.259 178.372 176.117 -0.006 0.000 1.117 328 I CA 1.224 62.528 61.300 0.006 0.000 1.404 328 I CB -0.711 37.300 38.000 0.018 0.000 1.071 328 I HN -0.079 nan 8.210 nan 0.000 0.419 329 A N 0.933 123.738 122.820 -0.024 0.000 1.898 329 A HA -0.229 4.092 4.320 0.002 0.000 0.216 329 A C 2.432 180.011 177.584 -0.008 0.000 1.181 329 A CA 1.655 53.673 52.037 -0.032 0.000 0.620 329 A CB -0.607 18.358 19.000 -0.057 0.000 0.819 329 A HN 0.337 nan 8.150 nan 0.000 0.442 330 R N -1.041 119.455 120.500 -0.006 0.000 2.096 330 R HA -0.134 4.208 4.340 0.002 0.000 0.235 330 R C 2.211 178.512 176.300 0.002 0.000 1.127 330 R CA 1.732 57.834 56.100 0.003 0.000 0.968 330 R CB -0.289 30.012 30.300 0.001 0.000 0.861 330 R HN 0.503 nan 8.270 nan 0.000 0.440 331 M N 0.752 120.359 119.600 0.011 0.000 2.117 331 M HA -0.144 4.337 4.480 0.002 0.000 0.262 331 M C 1.773 178.115 176.300 0.070 0.000 1.065 331 M CA 1.686 57.005 55.300 0.033 0.000 1.114 331 M CB -0.346 32.280 32.600 0.043 0.000 1.361 331 M HN 0.301 nan 8.290 nan 0.000 0.408 332 L N 0.303 121.560 121.223 0.057 0.000 2.201 332 L HA -0.163 4.178 4.340 0.002 0.000 0.212 332 L C 2.526 179.409 176.870 0.022 0.000 1.105 332 L CA 1.285 56.170 54.840 0.075 0.000 0.775 332 L CB -0.886 41.188 42.059 0.025 0.000 0.913 332 L HN 0.413 nan 8.230 nan 0.000 0.440 333 S N 0.913 116.604 115.700 -0.013 0.000 2.399 333 S HA -0.236 4.235 4.470 0.002 0.000 0.231 333 S C 1.959 176.454 174.600 -0.176 0.000 1.022 333 S CA 1.193 59.369 58.200 -0.040 0.000 0.983 333 S CB -0.548 62.660 63.200 0.013 0.000 0.803 333 S HN 0.589 nan 8.310 nan 0.000 0.480 334 R N 0.680 121.026 120.500 -0.256 0.000 2.235 334 R HA 0.056 4.397 4.340 0.002 0.000 0.213 334 R C 1.335 177.166 176.300 -0.782 0.000 1.059 334 R CA 1.330 57.158 56.100 -0.453 0.000 0.997 334 R CB -0.657 29.386 30.300 -0.428 0.000 0.884 334 R HN 0.513 nan 8.270 nan 0.000 0.462 335 H N 0.194 119.028 119.070 -0.393 0.000 2.586 335 H HA 0.111 4.668 4.556 0.002 0.000 0.273 335 H C -0.289 174.830 175.328 -0.349 0.000 0.997 335 H CA 0.386 56.220 56.048 -0.356 0.000 1.177 335 H CB 0.104 29.789 29.762 -0.129 0.000 1.471 335 H HN 0.497 nan 8.280 nan 0.000 0.538 336 H N -0.919 118.186 119.070 0.058 0.000 2.861 336 H HA -0.124 4.433 4.556 0.002 0.000 0.289 336 H C 0.507 175.836 175.328 0.002 0.000 1.176 336 H CA 0.271 56.329 56.048 0.017 0.000 1.146 336 H CB -1.651 28.115 29.762 0.007 0.000 1.330 336 H HN 0.479 nan 8.280 nan 0.000 0.379 337 A N 0.460 123.316 122.820 0.060 0.000 2.286 337 A HA 0.645 4.966 4.320 0.002 0.000 0.286 337 A C 0.561 178.131 177.584 -0.024 0.000 1.097 337 A CA -0.546 51.504 52.037 0.021 0.000 0.821 337 A CB 0.762 19.775 19.000 0.022 0.000 1.076 337 A HN 0.325 nan 8.150 nan 0.000 0.490 338 I N 0.764 121.308 120.570 -0.043 0.000 2.440 338 I HA 0.244 4.415 4.170 0.002 0.000 0.294 338 I C -0.170 175.939 176.117 -0.014 0.000 0.995 338 I CA -0.165 61.106 61.300 -0.047 0.000 1.306 338 I CB 1.306 39.293 38.000 -0.021 0.000 1.407 338 I HN 0.542 nan 8.210 nan 0.000 0.501 339 L N 7.120 128.334 121.223 -0.014 0.000 2.262 339 L HA 0.354 4.695 4.340 0.002 0.000 0.288 339 L C -0.209 176.681 176.870 0.033 0.000 1.035 339 L CA -0.137 54.693 54.840 -0.017 0.000 0.820 339 L CB 0.305 42.316 42.059 -0.080 0.000 1.204 339 L HN 0.648 nan 8.230 nan 0.000 0.424 340 N N 4.050 122.787 118.700 0.062 0.000 2.426 340 N HA 0.219 4.960 4.740 0.002 0.000 0.257 340 N C -1.001 174.610 175.510 0.168 0.000 1.002 340 N CA -0.466 52.647 53.050 0.105 0.000 0.942 340 N CB 0.801 39.328 38.487 0.068 0.000 1.112 340 N HN 0.410 nan 8.380 nan 0.000 0.499 341 F N 1.911 121.842 119.950 -0.033 0.000 2.695 341 F HA 0.579 5.107 4.527 0.002 0.000 0.392 341 F C 0.667 176.450 175.800 -0.028 0.000 1.209 341 F CA -0.323 57.638 58.000 -0.066 0.000 1.138 341 F CB 1.474 40.399 39.000 -0.126 0.000 1.557 341 F HN 0.314 nan 8.300 nan 0.000 0.496 342 T N -1.885 112.205 114.554 -0.773 0.000 2.612 342 T HA 0.318 4.669 4.350 0.002 0.000 0.296 342 T C -0.774 173.622 174.700 -0.507 0.000 1.148 342 T CA 0.298 62.099 62.100 -0.499 0.000 1.077 342 T CB 0.288 68.912 68.868 -0.407 0.000 1.591 342 T HN 0.822 nan 8.240 nan 0.000 0.479 343 C N 0.900 120.012 119.300 -0.314 0.000 4.358 343 C HA -0.101 4.360 4.460 0.002 0.000 0.287 343 C C 1.684 176.586 174.990 -0.147 0.000 1.414 343 C CA 0.232 59.108 59.018 -0.238 0.000 1.949 343 C CB -2.984 24.594 27.740 -0.271 0.000 1.274 343 C HN 0.763 nan 8.230 nan 0.000 0.793 344 L N 1.525 122.697 121.223 -0.084 0.000 2.362 344 L HA -0.063 4.278 4.340 0.002 0.000 0.219 344 L C 2.515 179.383 176.870 -0.003 0.000 1.134 344 L CA 2.472 57.320 54.840 0.013 0.000 0.807 344 L CB -0.428 41.679 42.059 0.080 0.000 0.927 344 L HN 0.704 nan 8.230 nan 0.000 0.447 345 E N -1.320 118.836 120.200 -0.074 0.000 2.476 345 E HA -0.001 4.350 4.350 0.002 0.000 0.199 345 E C 0.604 177.133 176.600 -0.120 0.000 1.021 345 E CA 0.037 56.377 56.400 -0.101 0.000 0.907 345 E CB -0.012 29.586 29.700 -0.170 0.000 0.974 345 E HN 0.321 nan 8.360 nan 0.000 0.489 346 M N 1.546 121.063 119.600 -0.140 0.000 2.235 346 M HA 0.347 4.828 4.480 0.002 0.000 0.351 346 M C 0.255 176.475 176.300 -0.133 0.000 1.178 346 M CA 0.026 55.224 55.300 -0.171 0.000 1.143 346 M CB 1.206 33.645 32.600 -0.268 0.000 1.530 346 M HN -0.233 nan 8.290 nan 0.000 0.461 347 R N 1.098 121.526 120.500 -0.121 0.000 2.670 347 R HA 0.231 4.572 4.340 0.002 0.000 0.289 347 R C -0.239 176.007 176.300 -0.090 0.000 0.965 347 R CA -0.895 55.153 56.100 -0.085 0.000 0.899 347 R CB 1.554 31.822 30.300 -0.054 0.000 1.173 347 R HN 0.635 nan 8.270 nan 0.000 0.456 348 D N 0.538 120.896 120.400 -0.071 0.000 2.182 348 D HA -0.173 4.468 4.640 0.002 0.000 0.201 348 D C 1.678 177.958 176.300 -0.033 0.000 0.986 348 D CA 1.926 55.896 54.000 -0.050 0.000 0.847 348 D CB 0.014 40.796 40.800 -0.030 0.000 0.942 348 D HN 0.534 nan 8.370 nan 0.000 0.467 349 S N 0.204 115.885 115.700 -0.032 0.000 2.442 349 S HA -0.136 4.335 4.470 0.002 0.000 0.236 349 S C 1.484 176.065 174.600 -0.031 0.000 1.007 349 S CA 0.639 58.825 58.200 -0.024 0.000 0.965 349 S CB -0.343 62.846 63.200 -0.019 0.000 0.773 349 S HN 0.355 nan 8.310 nan 0.000 0.504 350 E N 0.856 121.027 120.200 -0.049 0.000 2.489 350 E HA 0.089 4.441 4.350 0.002 0.000 0.193 350 E C 0.005 176.573 176.600 -0.054 0.000 1.057 350 E CA 0.137 56.501 56.400 -0.060 0.000 0.866 350 E CB 0.093 29.741 29.700 -0.087 0.000 0.916 350 E HN 0.562 nan 8.360 nan 0.000 0.500 351 Q N 1.442 121.226 119.800 -0.028 0.000 2.266 351 Q HA 0.316 4.657 4.340 0.002 0.000 0.261 351 Q C -2.247 173.772 176.000 0.031 0.000 0.985 351 Q CA -2.563 53.255 55.803 0.025 0.000 0.873 351 Q CB 0.575 29.368 28.738 0.091 0.000 1.306 351 Q HN -0.008 nan 8.270 nan 0.000 0.447 352 P HA 0.100 nan 4.420 nan 0.000 0.271 352 P C 0.135 177.419 177.300 -0.027 0.000 1.216 352 P CA 0.053 63.160 63.100 0.012 0.000 0.771 352 P CB 0.863 32.575 31.700 0.021 0.000 0.864 353 S N 1.660 117.339 115.700 -0.034 0.000 2.402 353 S HA -0.173 4.298 4.470 0.002 0.000 0.233 353 S C 1.359 175.905 174.600 -0.091 0.000 1.030 353 S CA 1.711 59.883 58.200 -0.047 0.000 1.003 353 S CB -0.638 62.547 63.200 -0.025 0.000 0.813 353 S HN 0.686 nan 8.310 nan 0.000 0.477 354 D N 1.600 121.937 120.400 -0.104 0.000 2.350 354 D HA -0.018 4.623 4.640 0.002 0.000 0.216 354 D C 1.549 177.635 176.300 -0.356 0.000 0.968 354 D CA 0.914 54.831 54.000 -0.138 0.000 0.894 354 D CB -0.132 40.612 40.800 -0.092 0.000 0.909 354 D HN 0.482 nan 8.370 nan 0.000 0.520 355 A N 0.823 123.392 122.820 -0.418 0.000 2.178 355 A HA -0.027 4.294 4.320 0.002 0.000 0.211 355 A C 0.943 178.028 177.584 -0.832 0.000 1.157 355 A CA -0.028 51.563 52.037 -0.742 0.000 0.780 355 A CB -0.115 18.607 19.000 -0.464 0.000 0.828 355 A HN -0.034 nan 8.150 nan 0.000 0.476 356 K N 0.422 120.550 120.400 -0.453 0.000 3.071 356 K HA -0.143 4.178 4.320 0.002 0.000 0.262 356 K C 0.110 176.636 176.600 -0.124 0.000 0.977 356 K CA 1.001 57.139 56.287 -0.248 0.000 0.721 356 K CB -2.266 30.101 32.500 -0.223 0.000 1.293 356 K HN 0.549 nan 8.250 nan 0.000 0.475 357 S N -0.598 115.084 115.700 -0.029 0.000 2.562 357 S HA 0.596 5.067 4.470 0.002 0.000 0.275 357 S C 0.715 175.392 174.600 0.128 0.000 1.281 357 S CA 0.224 58.518 58.200 0.156 0.000 1.045 357 S CB 1.342 64.751 63.200 0.349 0.000 0.962 357 S HN 0.443 nan 8.310 nan 0.000 0.503 358 G N 4.759 113.639 108.800 0.133 0.000 4.566 358 G HA2 0.343 4.304 3.960 0.002 0.000 0.276 358 G HA3 0.343 4.304 3.960 0.002 0.000 0.276 358 G C -1.742 173.037 174.900 -0.203 0.000 1.248 358 G CA -0.900 44.192 45.100 -0.013 0.000 0.858 358 G HN 0.587 nan 8.290 nan 0.000 0.549 359 P HA -0.222 nan 4.420 nan 0.000 0.215 359 P C 1.479 178.641 177.300 -0.230 0.000 1.153 359 P CA 1.128 64.100 63.100 -0.215 0.000 0.853 359 P CB 0.511 32.006 31.700 -0.342 0.000 0.788 360 Q N -0.029 119.647 119.800 -0.207 0.000 2.030 360 Q HA -0.199 4.143 4.340 0.002 0.000 0.204 360 Q C 2.286 178.098 176.000 -0.313 0.000 0.986 360 Q CA 1.695 57.368 55.803 -0.216 0.000 0.843 360 Q CB -0.415 28.229 28.738 -0.157 0.000 0.904 360 Q HN 0.280 nan 8.270 nan 0.000 0.420 361 E N 0.594 120.614 120.200 -0.299 0.000 2.077 361 E HA -0.181 4.170 4.350 0.002 0.000 0.193 361 E C 1.730 178.072 176.600 -0.429 0.000 0.989 361 E CA 0.652 56.874 56.400 -0.296 0.000 0.800 361 E CB -0.203 29.441 29.700 -0.095 0.000 0.746 361 E HN 0.161 nan 8.360 nan 0.000 0.452 362 L N 0.136 120.951 121.223 -0.679 0.000 1.994 362 L HA -0.156 4.185 4.340 0.002 0.000 0.208 362 L C 2.066 178.751 176.870 -0.308 0.000 1.071 362 L CA 1.469 55.960 54.840 -0.582 0.000 0.745 362 L CB -0.575 41.183 42.059 -0.500 0.000 0.892 362 L HN 0.023 nan 8.230 nan 0.000 0.431 363 V N -0.232 119.581 119.914 -0.169 0.000 2.282 363 V HA -0.381 3.740 4.120 0.002 0.000 0.249 363 V C 2.626 178.553 176.094 -0.278 0.000 1.057 363 V CA 2.243 64.509 62.300 -0.057 0.000 1.032 363 V CB -0.785 31.043 31.823 0.007 0.000 0.645 363 V HN 0.584 nan 8.190 nan 0.000 0.447 364 Q N -0.689 118.802 119.800 -0.514 0.000 2.096 364 Q HA -0.298 4.043 4.340 0.002 0.000 0.204 364 Q C 2.397 178.198 176.000 -0.331 0.000 0.982 364 Q CA 2.089 57.427 55.803 -0.775 0.000 0.850 364 Q CB -0.210 27.931 28.738 -0.994 0.000 0.901 364 Q HN 0.712 nan 8.270 nan 0.000 0.422 365 Q N 0.175 119.818 119.800 -0.262 0.000 2.016 365 Q HA -0.152 4.189 4.340 0.002 0.000 0.200 365 Q C 2.111 177.966 176.000 -0.242 0.000 0.978 365 Q CA 1.509 57.219 55.803 -0.154 0.000 0.833 365 Q CB 0.138 28.862 28.738 -0.023 0.000 0.895 365 Q HN 0.250 nan 8.270 nan 0.000 0.427 366 V N 1.010 120.643 119.914 -0.467 0.000 2.295 366 V HA -0.268 3.853 4.120 0.002 0.000 0.246 366 V C 2.338 178.120 176.094 -0.520 0.000 1.049 366 V CA 1.309 63.206 62.300 -0.670 0.000 1.024 366 V CB -0.536 30.444 31.823 -1.405 0.000 0.648 366 V HN 0.299 nan 8.190 nan 0.000 0.447 367 L N 0.074 121.022 121.223 -0.458 0.000 2.017 367 L HA -0.115 4.226 4.340 0.002 0.000 0.208 367 L C 2.640 179.191 176.870 -0.532 0.000 1.073 367 L CA 1.986 56.443 54.840 -0.639 0.000 0.745 367 L CB -1.025 40.755 42.059 -0.465 0.000 0.894 367 L HN 0.252 nan 8.230 nan 0.000 0.432 368 S N -0.407 115.300 115.700 0.011 0.000 2.368 368 S HA -0.146 4.325 4.470 0.002 0.000 0.225 368 S C 2.079 176.749 174.600 0.115 0.000 1.030 368 S CA 1.161 59.574 58.200 0.354 0.000 0.999 368 S CB -0.911 62.405 63.200 0.195 0.000 0.844 368 S HN 0.594 nan 8.310 nan 0.000 0.459 369 G N 1.413 110.172 108.800 -0.068 0.000 2.446 369 G HA2 -0.085 3.876 3.960 0.002 0.000 0.217 369 G HA3 -0.085 3.876 3.960 0.002 0.000 0.217 369 G C 1.469 176.321 174.900 -0.080 0.000 1.168 369 G CA 0.975 46.026 45.100 -0.082 0.000 0.771 369 G HN 0.563 nan 8.290 nan 0.000 0.551 370 G N -0.042 108.648 108.800 -0.184 0.000 2.446 370 G HA2 -0.216 3.745 3.960 0.002 0.000 0.217 370 G HA3 -0.216 3.745 3.960 0.002 0.000 0.217 370 G C 1.589 176.467 174.900 -0.036 0.000 1.168 370 G CA 0.942 45.931 45.100 -0.185 0.000 0.771 370 G HN 0.402 nan 8.290 nan 0.000 0.551 371 W N 1.112 122.453 121.300 0.068 0.000 2.425 371 W HA 0.106 4.767 4.660 0.002 0.000 0.277 371 W C 2.627 179.096 176.519 -0.084 0.000 1.231 371 W CA 0.491 57.865 57.345 0.048 0.000 1.248 371 W CB -0.474 29.058 29.460 0.121 0.000 1.117 371 W HN 0.257 nan 8.180 nan 0.000 0.568 372 R N 0.116 120.705 120.500 0.149 0.000 2.148 372 R HA -0.086 4.255 4.340 0.002 0.000 0.223 372 R C 1.309 177.416 176.300 -0.320 0.000 1.088 372 R CA 0.826 56.870 56.100 -0.094 0.000 0.985 372 R CB -0.245 30.026 30.300 -0.048 0.000 0.880 372 R HN 0.052 nan 8.270 nan 0.000 0.451 373 E N 0.035 120.146 120.200 -0.147 0.000 2.476 373 E HA -0.024 4.327 4.350 0.002 0.000 0.191 373 E C -0.560 176.084 176.600 0.072 0.000 1.064 373 E CA -0.157 56.216 56.400 -0.046 0.000 0.866 373 E CB 0.004 29.705 29.700 0.002 0.000 0.952 373 E HN 0.234 nan 8.360 nan 0.000 0.492 374 Y N -0.416 119.969 120.300 0.142 0.000 3.389 374 Y HA -0.251 4.301 4.550 0.002 0.000 0.213 374 Y C 0.543 176.505 175.900 0.102 0.000 1.272 374 Y CA 0.332 58.510 58.100 0.130 0.000 1.444 374 Y CB -2.507 36.005 38.460 0.085 0.000 1.445 374 Y HN 0.170 nan 8.280 nan 0.000 0.583 375 I N -2.351 118.336 120.570 0.194 0.000 2.910 375 I HA 0.766 4.937 4.170 0.002 0.000 0.310 375 I C 0.357 176.548 176.117 0.123 0.000 1.043 375 I CA -1.797 59.569 61.300 0.110 0.000 1.053 375 I CB 1.923 39.947 38.000 0.040 0.000 1.242 375 I HN -0.051 nan 8.210 nan 0.000 0.452 376 R N 2.025 122.526 120.500 0.001 0.000 2.490 376 R HA 0.676 5.018 4.340 0.002 0.000 0.278 376 R C -1.171 175.160 176.300 0.051 0.000 1.069 376 R CA -0.724 55.373 56.100 -0.004 0.000 1.080 376 R CB 1.536 31.546 30.300 -0.482 0.000 1.030 376 R HN 0.493 nan 8.270 nan 0.000 0.491 377 V N 1.589 121.618 119.914 0.192 0.000 2.525 377 V HA 0.607 4.728 4.120 0.002 0.000 0.299 377 V C -0.333 175.908 176.094 0.245 0.000 1.034 377 V CA -0.737 61.611 62.300 0.080 0.000 0.863 377 V CB 1.544 33.225 31.823 -0.236 0.000 0.999 377 V HN 0.984 nan 8.190 nan 0.000 0.423 378 A N 3.227 126.179 122.820 0.221 0.000 2.347 378 A HA 1.094 5.415 4.320 0.002 0.000 0.301 378 A C 0.113 177.826 177.584 0.216 0.000 1.163 378 A CA -0.194 52.009 52.037 0.277 0.000 0.860 378 A CB 2.048 21.230 19.000 0.303 0.000 1.367 378 A HN 1.476 nan 8.150 nan 0.000 0.461 379 G N -1.163 107.767 108.800 0.217 0.000 2.559 379 G HA2 0.586 4.547 3.960 0.002 0.000 0.291 379 G HA3 0.586 4.547 3.960 0.002 0.000 0.291 379 G C -1.652 173.335 174.900 0.145 0.000 1.424 379 G CA -0.589 44.614 45.100 0.170 0.000 0.786 379 G HN 0.748 nan 8.290 nan 0.000 0.485 380 E N -0.324 119.916 120.200 0.067 0.000 2.433 380 E HA 0.364 4.715 4.350 0.002 0.000 0.273 380 E C -0.779 175.806 176.600 -0.026 0.000 0.950 380 E CA -1.175 55.252 56.400 0.045 0.000 0.796 380 E CB 1.825 31.530 29.700 0.009 0.000 1.330 380 E HN 0.597 nan 8.360 nan 0.000 0.455 381 N N 0.383 119.047 118.700 -0.061 0.000 2.518 381 N HA 0.185 4.926 4.740 0.002 0.000 0.283 381 N C 0.145 175.557 175.510 -0.164 0.000 1.119 381 N CA -0.039 52.932 53.050 -0.132 0.000 0.983 381 N CB 1.685 40.052 38.487 -0.200 0.000 1.139 381 N HN 0.554 nan 8.380 nan 0.000 0.465 382 A N 2.704 125.425 122.820 -0.165 0.000 1.872 382 A HA 0.102 4.423 4.320 0.002 0.000 0.214 382 A C 0.993 178.490 177.584 -0.144 0.000 1.187 382 A CA 0.727 52.682 52.037 -0.137 0.000 0.614 382 A CB -0.219 18.713 19.000 -0.113 0.000 0.826 382 A HN 0.676 nan 8.150 nan 0.000 0.442 383 L N -1.344 119.767 121.223 -0.187 0.000 2.323 383 L HA 0.420 4.761 4.340 0.002 0.000 0.265 383 L C -2.734 173.966 176.870 -0.282 0.000 1.012 383 L CA -2.541 52.179 54.840 -0.201 0.000 0.820 383 L CB 1.691 43.639 42.059 -0.184 0.000 1.334 383 L HN -0.125 nan 8.230 nan 0.000 0.427 384 P HA 0.133 nan 4.420 nan 0.000 0.262 384 P C -1.127 175.877 177.300 -0.493 0.000 1.199 384 P CA 0.079 62.924 63.100 -0.426 0.000 0.763 384 P CB 0.410 31.935 31.700 -0.292 0.000 0.790 385 R N 2.929 123.036 120.500 -0.654 0.000 2.698 385 R HA 0.345 4.686 4.340 0.002 0.000 0.275 385 R C -0.545 175.330 176.300 -0.708 0.000 1.001 385 R CA -0.539 55.222 56.100 -0.566 0.000 0.896 385 R CB 1.431 31.471 30.300 -0.434 0.000 1.218 385 R HN 0.453 nan 8.270 nan 0.000 0.462 386 Y N -0.749 119.487 120.300 -0.106 0.000 2.563 386 Y HA 0.078 4.630 4.550 0.002 0.000 0.250 386 Y C 0.487 176.413 175.900 0.044 0.000 1.126 386 Y CA -0.696 57.419 58.100 0.024 0.000 1.231 386 Y CB 0.722 39.242 38.460 0.100 0.000 1.288 386 Y HN 0.480 nan 8.280 nan 0.000 0.537 387 D N 0.224 120.628 120.400 0.007 0.000 2.313 387 D HA 0.257 4.898 4.640 0.002 0.000 0.247 387 D C 1.218 177.558 176.300 0.067 0.000 1.094 387 D CA 0.353 54.385 54.000 0.054 0.000 0.925 387 D CB 2.161 42.964 40.800 0.004 0.000 1.188 387 D HN 0.100 nan 8.370 nan 0.000 0.430 388 A N 2.027 124.950 122.820 0.172 0.000 1.933 388 A HA -0.164 4.157 4.320 0.002 0.000 0.218 388 A C 2.153 179.806 177.584 0.116 0.000 1.175 388 A CA 1.820 53.987 52.037 0.217 0.000 0.628 388 A CB -0.981 18.100 19.000 0.136 0.000 0.814 388 A HN 0.712 nan 8.150 nan 0.000 0.444 389 T N 0.340 114.918 114.554 0.040 0.000 2.720 389 T HA -0.102 4.249 4.350 0.002 0.000 0.268 389 T C 2.185 176.868 174.700 -0.029 0.000 1.037 389 T CA 1.754 63.859 62.100 0.008 0.000 1.144 389 T CB -0.428 68.433 68.868 -0.011 0.000 0.864 389 T HN 0.620 nan 8.240 nan 0.000 0.444 390 A N 0.282 123.032 122.820 -0.117 0.000 1.898 390 A HA -0.035 4.286 4.320 0.002 0.000 0.216 390 A C 2.034 179.502 177.584 -0.194 0.000 1.181 390 A CA 1.230 53.141 52.037 -0.210 0.000 0.620 390 A CB -0.924 17.858 19.000 -0.363 0.000 0.819 390 A HN 0.534 nan 8.150 nan 0.000 0.442 391 Y N 0.854 121.092 120.300 -0.102 0.000 2.242 391 Y HA -0.158 4.393 4.550 0.002 0.000 0.291 391 Y C 2.398 178.313 175.900 0.025 0.000 1.137 391 Y CA 1.324 59.331 58.100 -0.155 0.000 1.181 391 Y CB -0.478 37.891 38.460 -0.152 0.000 0.989 391 Y HN 0.310 nan 8.280 nan 0.000 0.527 392 N N -0.064 118.745 118.700 0.180 0.000 2.166 392 N HA -0.178 4.563 4.740 0.002 0.000 0.186 392 N C 1.860 177.442 175.510 0.121 0.000 1.019 392 N CA 1.249 54.382 53.050 0.139 0.000 0.856 392 N CB -0.436 38.107 38.487 0.094 0.000 0.993 392 N HN 0.346 nan 8.380 nan 0.000 0.426 393 Q N 0.959 120.811 119.800 0.086 0.000 2.119 393 Q HA 0.086 4.427 4.340 0.002 0.000 0.201 393 Q C 1.912 177.989 176.000 0.128 0.000 0.972 393 Q CA 1.016 56.871 55.803 0.087 0.000 0.847 393 Q CB -0.234 28.521 28.738 0.029 0.000 0.903 393 Q HN 0.407 nan 8.270 nan 0.000 0.433 394 I N -0.385 120.263 120.570 0.131 0.000 2.202 394 I HA -0.257 3.914 4.170 0.002 0.000 0.242 394 I C 2.034 178.301 176.117 0.250 0.000 1.091 394 I CA 1.061 62.479 61.300 0.196 0.000 1.368 394 I CB -0.311 37.822 38.000 0.222 0.000 1.058 394 I HN 0.202 nan 8.210 nan 0.000 0.410 395 I N 0.279 121.007 120.570 0.262 0.000 2.264 395 I HA -0.300 3.872 4.170 0.002 0.000 0.248 395 I C 2.519 178.707 176.117 0.119 0.000 1.111 395 I CA 1.091 62.496 61.300 0.175 0.000 1.382 395 I CB -0.314 37.767 38.000 0.135 0.000 1.060 395 I HN 0.254 nan 8.210 nan 0.000 0.418 396 L N 1.158 122.462 121.223 0.135 0.000 2.012 396 L HA -0.231 4.110 4.340 0.002 0.000 0.210 396 L C 2.141 179.102 176.870 0.152 0.000 1.073 396 L CA 1.999 56.914 54.840 0.124 0.000 0.748 396 L CB -0.965 41.201 42.059 0.178 0.000 0.891 396 L HN 0.226 nan 8.230 nan 0.000 0.431 397 N N 0.006 118.867 118.700 0.269 0.000 2.309 397 N HA -0.089 4.652 4.740 0.002 0.000 0.182 397 N C 1.766 177.444 175.510 0.280 0.000 1.018 397 N CA 1.313 54.591 53.050 0.380 0.000 0.876 397 N CB -0.289 38.427 38.487 0.382 0.000 0.972 397 N HN 0.555 nan 8.380 nan 0.000 0.434 398 A N 0.596 123.538 122.820 0.203 0.000 2.015 398 A HA 0.006 4.328 4.320 0.002 0.000 0.219 398 A C 1.050 178.691 177.584 0.094 0.000 1.163 398 A CA 0.988 53.130 52.037 0.176 0.000 0.646 398 A CB 0.113 19.189 19.000 0.126 0.000 0.806 398 A HN 0.160 nan 8.150 nan 0.000 0.448 399 R N -1.396 119.106 120.500 0.003 0.000 2.818 399 R HA 0.200 4.541 4.340 0.002 0.000 0.258 399 R C -2.492 173.676 176.300 -0.219 0.000 1.797 399 R CA -1.395 54.638 56.100 -0.112 0.000 1.532 399 R CB 1.010 31.255 30.300 -0.093 0.000 1.413 399 R HN 0.119 nan 8.270 nan 0.000 0.622 400 P HA -0.216 nan 4.420 nan 0.000 0.218 400 P C 0.437 177.418 177.300 -0.531 0.000 1.152 400 P CA 1.499 64.099 63.100 -0.833 0.000 0.857 400 P CB 0.313 31.057 31.700 -1.593 0.000 0.787 401 Q N -1.181 118.391 119.800 -0.379 0.000 2.189 401 Q HA 0.352 4.693 4.340 0.002 0.000 0.221 401 Q C 0.821 176.725 176.000 -0.159 0.000 0.848 401 Q CA 0.009 55.674 55.803 -0.230 0.000 1.007 401 Q CB 0.355 28.964 28.738 -0.216 0.000 1.116 401 Q HN 0.139 nan 8.270 nan 0.000 0.481 402 G N 0.483 109.192 108.800 -0.152 0.000 2.750 402 G HA2 -0.268 3.693 3.960 0.002 0.000 0.228 402 G HA3 -0.268 3.693 3.960 0.002 0.000 0.228 402 G C -0.214 174.626 174.900 -0.100 0.000 1.367 402 G CA -0.625 44.414 45.100 -0.102 0.000 0.871 402 G HN 0.136 nan 8.290 nan 0.000 0.560 403 V N 1.080 120.950 119.914 -0.074 0.000 2.775 403 V HA 0.425 4.546 4.120 0.002 0.000 0.299 403 V C 0.697 176.753 176.094 -0.064 0.000 1.062 403 V CA 0.314 62.574 62.300 -0.066 0.000 1.063 403 V CB 1.571 33.363 31.823 -0.052 0.000 0.994 403 V HN 0.955 nan 8.190 nan 0.000 0.483 404 N N 3.094 121.758 118.700 -0.060 0.000 2.417 404 N HA 0.261 5.003 4.740 0.002 0.000 0.274 404 N C 0.513 175.999 175.510 -0.041 0.000 0.987 404 N CA -0.450 52.566 53.050 -0.055 0.000 0.912 404 N CB 1.027 39.475 38.487 -0.065 0.000 1.177 404 N HN 0.483 nan 8.380 nan 0.000 0.490 405 N N 2.648 121.327 118.700 -0.036 0.000 2.459 405 N HA -0.045 4.697 4.740 0.002 0.000 0.181 405 N C -0.512 174.982 175.510 -0.027 0.000 1.046 405 N CA 0.806 53.838 53.050 -0.029 0.000 0.904 405 N CB -0.106 38.366 38.487 -0.026 0.000 0.964 405 N HN 0.650 nan 8.380 nan 0.000 0.444 406 N N -0.051 118.632 118.700 -0.029 0.000 2.599 406 N HA 0.421 5.162 4.740 0.002 0.000 0.309 406 N C -0.049 175.444 175.510 -0.028 0.000 1.743 406 N CA -0.330 52.704 53.050 -0.026 0.000 0.918 406 N CB 1.326 39.799 38.487 -0.024 0.000 1.339 406 N HN 0.077 nan 8.380 nan 0.000 0.493 407 G N 1.144 109.927 108.800 -0.028 0.000 2.369 407 G HA2 -0.039 3.922 3.960 0.002 0.000 0.295 407 G HA3 -0.039 3.922 3.960 0.002 0.000 0.295 407 G C -3.266 171.615 174.900 -0.030 0.000 1.298 407 G CA -1.033 44.050 45.100 -0.028 0.000 0.940 407 G HN -0.099 nan 8.290 nan 0.000 0.536 408 P HA 0.296 nan 4.420 nan 0.000 0.272 408 P C -2.499 174.764 177.300 -0.062 0.000 1.230 408 P CA -0.847 62.237 63.100 -0.028 0.000 0.788 408 P CB 0.275 31.966 31.700 -0.013 0.000 0.949 409 P HA 0.025 nan 4.420 nan 0.000 0.267 409 P C 0.687 177.875 177.300 -0.187 0.000 1.200 409 P CA 0.049 63.074 63.100 -0.126 0.000 0.772 409 P CB 0.599 32.221 31.700 -0.130 0.000 0.855 410 K N 1.196 121.469 120.400 -0.212 0.000 2.103 410 K HA 0.027 4.348 4.320 0.002 0.000 0.207 410 K C 0.751 177.092 176.600 -0.432 0.000 1.048 410 K CA 1.426 57.553 56.287 -0.266 0.000 0.930 410 K CB -0.321 32.038 32.500 -0.235 0.000 0.716 410 K HN 0.482 nan 8.250 nan 0.000 0.444 411 L N -0.493 120.423 121.223 -0.513 0.000 2.445 411 L HA 0.378 4.719 4.340 0.002 0.000 0.262 411 L C -1.087 175.395 176.870 -0.648 0.000 0.974 411 L CA -0.762 53.567 54.840 -0.851 0.000 0.822 411 L CB 2.453 43.904 42.059 -1.014 0.000 1.339 411 L HN -0.020 nan 8.230 nan 0.000 0.409 412 S N 1.927 117.217 115.700 -0.682 0.000 2.543 412 S HA 0.605 5.076 4.470 0.002 0.000 0.274 412 S C -0.968 173.749 174.600 0.195 0.000 1.149 412 S CA -1.053 57.044 58.200 -0.172 0.000 0.866 412 S CB 1.505 64.662 63.200 -0.072 0.000 1.111 412 S HN 0.513 nan 8.310 nan 0.000 0.457 413 M N 2.077 121.917 119.600 0.401 0.000 2.228 413 M HA 0.349 4.830 4.480 0.002 0.000 0.326 413 M C 0.552 177.139 176.300 0.477 0.000 1.122 413 M CA -0.410 55.216 55.300 0.544 0.000 1.161 413 M CB 0.164 33.018 32.600 0.423 0.000 1.437 413 M HN 0.843 nan 8.290 nan 0.000 0.465 414 F N 0.627 120.783 119.950 0.343 0.000 2.367 414 F HA 0.231 4.760 4.527 0.002 0.000 0.298 414 F C 0.913 176.983 175.800 0.450 0.000 1.094 414 F CA 0.911 59.118 58.000 0.345 0.000 1.409 414 F CB 0.252 39.399 39.000 0.244 0.000 1.064 414 F HN 0.563 nan 8.300 nan 0.000 0.528 415 G N -0.897 108.130 108.800 0.378 0.000 2.356 415 G HA2 0.471 4.432 3.960 0.002 0.000 0.294 415 G HA3 0.471 4.432 3.960 0.002 0.000 0.294 415 G C -2.271 172.825 174.900 0.328 0.000 1.423 415 G CA -0.512 44.783 45.100 0.325 0.000 0.806 415 G HN -0.046 nan 8.290 nan 0.000 0.527 416 V N 0.194 120.303 119.914 0.326 0.000 2.623 416 V HA 0.682 4.804 4.120 0.002 0.000 0.304 416 V C -0.357 175.976 176.094 0.399 0.000 1.054 416 V CA -0.602 61.893 62.300 0.325 0.000 0.882 416 V CB 2.133 34.138 31.823 0.304 0.000 1.002 416 V HN 0.875 nan 8.190 nan 0.000 0.424 417 T N 4.648 119.414 114.554 0.354 0.000 2.770 417 T HA 0.426 4.778 4.350 0.002 0.000 0.283 417 T C -0.879 174.014 174.700 0.322 0.000 0.988 417 T CA -0.182 62.133 62.100 0.358 0.000 0.957 417 T CB 0.614 69.630 68.868 0.247 0.000 0.930 417 T HN 0.520 nan 8.240 nan 0.000 0.443 418 Y N 4.109 124.569 120.300 0.267 0.000 2.316 418 Y HA 0.583 5.134 4.550 0.002 0.000 0.331 418 Y C -0.532 175.447 175.900 0.132 0.000 1.083 418 Y CA -1.103 57.128 58.100 0.219 0.000 1.206 418 Y CB 0.625 39.315 38.460 0.384 0.000 1.195 418 Y HN 0.583 nan 8.280 nan 0.000 0.497 419 L N 8.443 129.316 121.223 -0.583 0.000 2.287 419 L HA 0.638 4.979 4.340 0.002 0.000 0.287 419 L C -0.943 175.450 176.870 -0.795 0.000 1.022 419 L CA -0.512 54.060 54.840 -0.447 0.000 0.814 419 L CB 0.539 42.427 42.059 -0.285 0.000 1.217 419 L HN 0.878 nan 8.230 nan 0.000 0.420 420 R N 4.129 124.427 120.500 -0.336 0.000 2.710 420 R HA 0.407 4.748 4.340 0.002 0.000 0.270 420 R C -1.816 174.553 176.300 0.115 0.000 1.021 420 R CA -0.942 55.133 56.100 -0.041 0.000 0.889 420 R CB 1.529 31.815 30.300 -0.023 0.000 1.243 420 R HN 0.607 nan 8.270 nan 0.000 0.464 421 L N 2.666 123.967 121.223 0.130 0.000 2.455 421 L HA 0.383 4.724 4.340 0.002 0.000 0.272 421 L C -0.882 176.035 176.870 0.079 0.000 1.174 421 L CA 1.186 56.090 54.840 0.106 0.000 0.869 421 L CB 0.887 42.999 42.059 0.089 0.000 1.130 421 L HN 0.805 nan 8.230 nan 0.000 0.474 422 S N 1.919 117.654 115.700 0.059 0.000 2.615 422 S HA 0.375 4.847 4.470 0.002 0.000 0.268 422 S C 0.098 174.690 174.600 -0.014 0.000 1.146 422 S CA -0.606 57.616 58.200 0.036 0.000 0.818 422 S CB 0.660 63.901 63.200 0.068 0.000 1.111 422 S HN 0.605 nan 8.310 nan 0.000 0.465 423 D N 0.694 121.074 120.400 -0.033 0.000 2.219 423 D HA -0.039 4.603 4.640 0.002 0.000 0.205 423 D C 0.737 176.978 176.300 -0.099 0.000 0.970 423 D CA 1.097 55.052 54.000 -0.075 0.000 0.851 423 D CB -0.214 40.548 40.800 -0.063 0.000 0.943 423 D HN 0.545 nan 8.370 nan 0.000 0.488 424 D N 0.522 120.871 120.400 -0.086 0.000 2.144 424 D HA -0.117 4.524 4.640 0.002 0.000 0.199 424 D C 2.114 178.258 176.300 -0.260 0.000 0.984 424 D CA 0.233 54.125 54.000 -0.180 0.000 0.834 424 D CB -0.215 40.475 40.800 -0.182 0.000 0.955 424 D HN 0.163 nan 8.370 nan 0.000 0.465 425 L N 0.095 121.257 121.223 -0.102 0.000 2.131 425 L HA -0.093 4.249 4.340 0.002 0.000 0.210 425 L C 1.586 178.431 176.870 -0.043 0.000 1.092 425 L CA 1.272 56.114 54.840 0.004 0.000 0.759 425 L CB -0.220 41.903 42.059 0.107 0.000 0.903 425 L HN -0.053 nan 8.230 nan 0.000 0.435 426 L N -0.538 120.577 121.223 -0.180 0.000 2.554 426 L HA 0.116 4.457 4.340 0.002 0.000 0.226 426 L C 1.154 177.899 176.870 -0.208 0.000 1.137 426 L CA 0.527 55.142 54.840 -0.374 0.000 0.863 426 L CB -0.899 40.908 42.059 -0.421 0.000 0.985 426 L HN 0.358 nan 8.230 nan 0.000 0.451 427 Q N -0.198 119.534 119.800 -0.114 0.000 2.386 427 Q HA -0.091 4.250 4.340 0.002 0.000 0.282 427 Q C 1.279 177.292 176.000 0.021 0.000 1.050 427 Q CA 0.193 55.956 55.803 -0.066 0.000 0.918 427 Q CB 0.773 29.458 28.738 -0.089 0.000 1.266 427 Q HN 0.094 nan 8.270 nan 0.000 0.423 428 K N 1.038 121.457 120.400 0.031 0.000 2.032 428 K HA -0.275 4.047 4.320 0.002 0.000 0.218 428 K C 1.900 178.559 176.600 0.099 0.000 1.054 428 K CA 2.244 58.581 56.287 0.083 0.000 0.941 428 K CB -0.028 32.499 32.500 0.046 0.000 0.720 428 K HN 0.556 nan 8.250 nan 0.000 0.449 429 S N 0.977 116.710 115.700 0.055 0.000 2.351 429 S HA -0.134 4.337 4.470 0.002 0.000 0.220 429 S C 1.607 176.261 174.600 0.089 0.000 1.035 429 S CA 1.491 59.724 58.200 0.056 0.000 1.031 429 S CB -0.525 62.693 63.200 0.030 0.000 0.928 429 S HN 0.349 nan 8.310 nan 0.000 0.433 430 N N 0.999 119.744 118.700 0.075 0.000 2.069 430 N HA -0.063 4.678 4.740 0.002 0.000 0.191 430 N C 1.434 177.093 175.510 0.248 0.000 1.031 430 N CA 1.010 54.139 53.050 0.132 0.000 0.852 430 N CB -0.652 37.802 38.487 -0.055 0.000 1.018 430 N HN 0.314 nan 8.380 nan 0.000 0.423 431 F N 2.389 122.366 119.950 0.046 0.000 2.171 431 F HA -0.042 4.486 4.527 0.002 0.000 0.300 431 F C 1.903 177.763 175.800 0.099 0.000 1.090 431 F CA 0.990 59.039 58.000 0.081 0.000 1.293 431 F CB -0.343 38.674 39.000 0.027 0.000 1.013 431 F HN 0.016 nan 8.300 nan 0.000 0.486 432 N N 0.513 119.253 118.700 0.067 0.000 2.244 432 N HA -0.124 4.617 4.740 0.002 0.000 0.183 432 N C 2.045 177.500 175.510 -0.091 0.000 1.016 432 N CA 1.520 54.537 53.050 -0.055 0.000 0.866 432 N CB -0.270 38.220 38.487 0.005 0.000 0.980 432 N HN 0.355 nan 8.380 nan 0.000 0.430 433 I N -0.423 120.139 120.570 -0.012 0.000 2.406 433 I HA -0.168 4.003 4.170 0.002 0.000 0.249 433 I C 1.987 177.960 176.117 -0.241 0.000 1.122 433 I CA 0.448 61.722 61.300 -0.044 0.000 1.431 433 I CB -0.212 37.864 38.000 0.126 0.000 1.087 433 I HN -0.063 nan 8.210 nan 0.000 0.424 434 F N 2.424 122.175 119.950 -0.332 0.000 2.134 434 F HA -0.191 4.337 4.527 0.002 0.000 0.299 434 F C 2.375 177.894 175.800 -0.468 0.000 1.097 434 F CA 1.680 59.384 58.000 -0.494 0.000 1.264 434 F CB -0.224 38.623 39.000 -0.254 0.000 1.001 434 F HN -0.158 nan 8.300 nan 0.000 0.479 435 K N 0.167 120.267 120.400 -0.501 0.000 2.147 435 K HA -0.177 4.144 4.320 0.002 0.000 0.205 435 K C 1.991 178.297 176.600 -0.490 0.000 1.049 435 K CA 1.590 57.544 56.287 -0.556 0.000 0.936 435 K CB -0.165 32.047 32.500 -0.481 0.000 0.722 435 K HN 0.313 nan 8.250 nan 0.000 0.446 436 K N 0.013 120.176 120.400 -0.394 0.000 2.155 436 K HA -0.109 4.213 4.320 0.002 0.000 0.203 436 K C 1.926 178.297 176.600 -0.381 0.000 1.052 436 K CA 0.962 57.058 56.287 -0.318 0.000 0.948 436 K CB -0.149 32.227 32.500 -0.206 0.000 0.728 436 K HN 0.084 nan 8.250 nan 0.000 0.448 437 F N 1.565 121.102 119.950 -0.689 0.000 2.146 437 F HA -0.177 4.351 4.527 0.002 0.000 0.298 437 F C 1.741 177.117 175.800 -0.706 0.000 1.096 437 F CA 1.038 58.604 58.000 -0.723 0.000 1.275 437 F CB -0.354 37.949 39.000 -1.162 0.000 1.008 437 F HN -0.302 nan 8.300 nan 0.000 0.480 438 V N 0.658 119.876 119.914 -1.160 0.000 2.343 438 V HA -0.256 3.865 4.120 0.002 0.000 0.247 438 V C 2.420 177.882 176.094 -1.054 0.000 1.051 438 V CA 1.689 63.223 62.300 -1.277 0.000 1.036 438 V CB -0.888 30.313 31.823 -1.036 0.000 0.654 438 V HN 0.464 nan 8.190 nan 0.000 0.451 439 L N 0.177 120.996 121.223 -0.673 0.000 2.017 439 L HA -0.133 4.208 4.340 0.002 0.000 0.208 439 L C 2.426 179.059 176.870 -0.396 0.000 1.073 439 L CA 1.978 56.559 54.840 -0.432 0.000 0.745 439 L CB -0.733 41.154 42.059 -0.286 0.000 0.894 439 L HN 0.136 nan 8.230 nan 0.000 0.432 440 K N -0.940 119.215 120.400 -0.410 0.000 2.097 440 K HA -0.064 4.257 4.320 0.002 0.000 0.205 440 K C 2.047 178.429 176.600 -0.363 0.000 1.050 440 K CA 1.235 57.338 56.287 -0.307 0.000 0.938 440 K CB -0.535 31.834 32.500 -0.220 0.000 0.718 440 K HN 0.329 nan 8.250 nan 0.000 0.442 441 M N 0.156 119.399 119.600 -0.596 0.000 2.213 441 M HA -0.124 4.357 4.480 0.002 0.000 0.263 441 M C 1.381 177.386 176.300 -0.491 0.000 1.062 441 M CA 1.528 56.478 55.300 -0.584 0.000 1.105 441 M CB -0.937 31.116 32.600 -0.911 0.000 1.385 441 M HN 0.289 nan 8.290 nan 0.000 0.417 442 H N -0.269 118.389 119.070 -0.688 0.000 2.536 442 H HA 0.305 4.862 4.556 0.002 0.000 0.276 442 H C 0.802 175.910 175.328 -0.367 0.000 1.019 442 H CA 0.029 55.574 56.048 -0.839 0.000 1.159 442 H CB 0.140 29.383 29.762 -0.866 0.000 1.373 442 H HN 0.464 nan 8.280 nan 0.000 0.584 443 A N 1.577 124.298 122.820 -0.165 0.000 2.791 443 A HA -0.272 4.049 4.320 0.002 0.000 0.292 443 A C 0.497 178.041 177.584 -0.067 0.000 1.487 443 A CA 0.798 52.780 52.037 -0.092 0.000 0.760 443 A CB -1.932 17.044 19.000 -0.040 0.000 1.031 443 A HN 0.735 nan 8.150 nan 0.000 0.503 444 D N -2.483 117.860 120.400 -0.094 0.000 3.079 444 D HA -0.160 4.481 4.640 0.002 0.000 0.214 444 D C 0.196 176.473 176.300 -0.038 0.000 1.145 444 D CA 1.996 55.952 54.000 -0.074 0.000 0.958 444 D CB -0.569 40.194 40.800 -0.060 0.000 1.117 444 D HN 0.881 nan 8.370 nan 0.000 0.416 445 Q N 0.472 120.269 119.800 -0.006 0.000 2.215 445 Q HA 0.402 4.743 4.340 0.002 0.000 0.256 445 Q C 0.188 176.225 176.000 0.062 0.000 0.972 445 Q CA -0.438 55.386 55.803 0.034 0.000 0.889 445 Q CB 1.132 29.921 28.738 0.084 0.000 1.281 445 Q HN 0.025 nan 8.270 nan 0.000 0.456 446 D N 0.442 120.875 120.400 0.056 0.000 2.358 446 D HA 0.034 4.675 4.640 0.002 0.000 0.244 446 D C -0.276 176.107 176.300 0.139 0.000 1.163 446 D CA -0.199 53.855 54.000 0.090 0.000 0.945 446 D CB 0.282 41.116 40.800 0.057 0.000 1.152 446 D HN 0.333 nan 8.370 nan 0.000 0.451 447 Y N 0.820 121.161 120.300 0.068 0.000 2.904 447 Y HA -0.005 4.546 4.550 0.002 0.000 0.336 447 Y C -0.310 175.586 175.900 -0.006 0.000 1.263 447 Y CA -0.452 57.672 58.100 0.040 0.000 1.547 447 Y CB 0.262 38.760 38.460 0.063 0.000 1.272 447 Y HN 0.249 nan 8.280 nan 0.000 0.596 448 C N 7.491 126.333 119.300 -0.763 0.000 2.364 448 C HA 0.732 5.193 4.460 0.002 0.000 0.324 448 C C 1.145 175.628 174.990 -0.845 0.000 1.234 448 C CA -0.106 58.456 59.018 -0.760 0.000 1.417 448 C CB -0.371 27.020 27.740 -0.581 0.000 2.101 448 C HN 1.097 nan 8.230 nan 0.000 0.466 449 A N 4.421 126.811 122.820 -0.716 0.000 2.014 449 A HA 0.036 4.357 4.320 0.002 0.000 0.218 449 A C 1.036 178.500 177.584 -0.200 0.000 1.163 449 A CA 1.057 52.874 52.037 -0.367 0.000 0.652 449 A CB -0.383 18.517 19.000 -0.167 0.000 0.808 449 A HN 0.882 nan 8.150 nan 0.000 0.449 450 N N 0.134 118.685 118.700 -0.248 0.000 2.437 450 N HA 0.295 5.036 4.740 0.002 0.000 0.243 450 N C -2.216 173.006 175.510 -0.481 0.000 1.041 450 N CA -2.237 50.656 53.050 -0.261 0.000 0.940 450 N CB 1.096 39.458 38.487 -0.209 0.000 1.133 450 N HN -0.111 nan 8.380 nan 0.000 0.506 451 P HA -0.210 nan 4.420 nan 0.000 0.218 451 P C 1.073 177.886 177.300 -0.813 0.000 1.146 451 P CA 1.097 63.560 63.100 -1.061 0.000 0.813 451 P CB 0.239 31.679 31.700 -0.433 0.000 0.778 452 Q N 0.401 119.946 119.800 -0.425 0.000 2.084 452 Q HA -0.207 4.134 4.340 0.002 0.000 0.202 452 Q C 1.855 177.695 176.000 -0.266 0.000 0.978 452 Q CA 1.578 57.223 55.803 -0.262 0.000 0.844 452 Q CB -0.279 28.359 28.738 -0.167 0.000 0.898 452 Q HN 0.170 nan 8.270 nan 0.000 0.426 453 K N -0.017 120.195 120.400 -0.314 0.000 2.211 453 K HA -0.180 4.141 4.320 0.002 0.000 0.204 453 K C 0.809 177.315 176.600 -0.157 0.000 1.047 453 K CA 1.512 57.667 56.287 -0.220 0.000 0.935 453 K CB -0.072 32.295 32.500 -0.221 0.000 0.728 453 K HN 0.500 nan 8.250 nan 0.000 0.452 454 Y N -1.621 118.534 120.300 -0.243 0.000 2.734 454 Y HA 0.385 4.936 4.550 0.002 0.000 0.278 454 Y C -0.525 175.376 175.900 0.002 0.000 1.108 454 Y CA -1.013 56.966 58.100 -0.202 0.000 1.211 454 Y CB -1.005 37.189 38.460 -0.443 0.000 1.182 454 Y HN 0.008 nan 8.280 nan 0.000 0.547 455 N N 1.125 119.845 118.700 0.034 0.000 2.754 455 N HA -0.243 4.498 4.740 0.002 0.000 0.248 455 N C -1.287 174.361 175.510 0.230 0.000 1.093 455 N CA 0.576 53.695 53.050 0.115 0.000 0.699 455 N CB -1.145 37.432 38.487 0.151 0.000 1.016 455 N HN 0.561 nan 8.380 nan 0.000 0.552 456 H N 0.189 119.176 119.070 -0.138 0.000 2.572 456 H HA 0.477 5.034 4.556 0.002 0.000 0.248 456 H C 0.041 175.349 175.328 -0.033 0.000 1.397 456 H CA -0.065 55.966 56.048 -0.030 0.000 1.319 456 H CB 0.503 30.196 29.762 -0.115 0.000 1.452 456 H HN 0.352 nan 8.280 nan 0.000 0.535 457 A N 3.945 126.804 122.820 0.065 0.000 2.545 457 A HA 0.120 4.441 4.320 0.002 0.000 0.253 457 A C 0.026 177.644 177.584 0.055 0.000 1.074 457 A CA -0.040 52.016 52.037 0.030 0.000 0.760 457 A CB -0.329 18.680 19.000 0.015 0.000 1.005 457 A HN 0.515 nan 8.150 nan 0.000 0.506 458 I N 4.616 125.205 120.570 0.032 0.000 2.307 458 I HA 0.276 4.447 4.170 0.002 0.000 0.287 458 I C 0.760 176.892 176.117 0.025 0.000 1.054 458 I CA 0.349 61.676 61.300 0.045 0.000 1.218 458 I CB -0.041 37.980 38.000 0.036 0.000 1.398 458 I HN 0.750 nan 8.210 nan 0.000 0.475 459 T N 4.159 118.727 114.554 0.024 0.000 2.916 459 T HA 0.678 5.029 4.350 0.002 0.000 0.292 459 T C -2.913 171.795 174.700 0.012 0.000 1.064 459 T CA -2.345 59.760 62.100 0.007 0.000 1.011 459 T CB 2.021 70.881 68.868 -0.014 0.000 1.152 459 T HN 0.087 nan 8.240 nan 0.000 0.510 460 P HA 0.251 nan 4.420 nan 0.000 0.271 460 P C -0.426 176.882 177.300 0.013 0.000 1.220 460 P CA -0.654 62.457 63.100 0.018 0.000 0.768 460 P CB 0.202 31.910 31.700 0.012 0.000 0.848 461 L N 3.808 125.057 121.223 0.042 0.000 2.584 461 L HA 0.025 4.366 4.340 0.002 0.000 0.272 461 L C 0.172 177.065 176.870 0.039 0.000 1.195 461 L CA 1.073 55.946 54.840 0.054 0.000 0.920 461 L CB -0.556 41.574 42.059 0.117 0.000 1.173 461 L HN 0.297 nan 8.230 nan 0.000 0.489 462 S N 6.616 122.306 115.700 -0.017 0.000 2.632 462 S HA 0.543 5.014 4.470 0.002 0.000 0.271 462 S C -2.321 172.339 174.600 0.099 0.000 1.260 462 S CA -0.915 57.272 58.200 -0.022 0.000 1.010 462 S CB 0.894 63.993 63.200 -0.168 0.000 0.965 462 S HN 0.622 nan 8.310 nan 0.000 0.534 463 P HA 0.146 nan 4.420 nan 0.000 0.272 463 P C -0.559 176.879 177.300 0.229 0.000 1.230 463 P CA -0.278 62.905 63.100 0.139 0.000 0.788 463 P CB 0.331 32.080 31.700 0.082 0.000 0.949 464 S N 0.114 115.903 115.700 0.148 0.000 2.566 464 S HA 0.296 4.767 4.470 0.002 0.000 0.280 464 S C 0.736 175.323 174.600 -0.022 0.000 1.343 464 S CA -0.248 57.950 58.200 -0.002 0.000 1.036 464 S CB 0.106 63.255 63.200 -0.086 0.000 0.866 464 S HN 0.668 nan 8.310 nan 0.000 0.526 465 A N 3.126 125.863 122.820 -0.139 0.000 2.280 465 A HA 0.582 4.903 4.320 0.002 0.000 0.268 465 A C -2.387 175.141 177.584 -0.093 0.000 1.111 465 A CA -1.510 50.489 52.037 -0.064 0.000 0.814 465 A CB -0.787 18.172 19.000 -0.069 0.000 1.093 465 A HN 0.545 nan 8.150 nan 0.000 0.498 466 P HA 0.126 nan 4.420 nan 0.000 0.267 466 P C -0.432 176.829 177.300 -0.064 0.000 1.200 466 P CA -0.025 63.049 63.100 -0.043 0.000 0.772 466 P CB 0.304 31.991 31.700 -0.021 0.000 0.855 467 K N 2.510 122.881 120.400 -0.047 0.000 2.527 467 K HA 0.098 4.420 4.320 0.002 0.000 0.278 467 K C -0.382 176.199 176.600 -0.032 0.000 0.981 467 K CA 0.652 56.914 56.287 -0.042 0.000 1.009 467 K CB -0.277 32.216 32.500 -0.013 0.000 0.895 467 K HN 0.328 nan 8.250 nan 0.000 0.493 468 I N 7.202 127.753 120.570 -0.031 0.000 2.339 468 I HA 0.272 4.443 4.170 0.002 0.000 0.290 468 I C -1.809 174.307 176.117 -0.002 0.000 0.994 468 I CA -2.407 58.882 61.300 -0.017 0.000 1.191 468 I CB 1.513 39.500 38.000 -0.022 0.000 1.343 468 I HN 0.641 nan 8.210 nan 0.000 0.458 469 P HA 0.012 nan 4.420 nan 0.000 0.268 469 P C 0.890 178.197 177.300 0.013 0.000 1.205 469 P CA -0.232 62.875 63.100 0.012 0.000 0.771 469 P CB 1.403 33.111 31.700 0.014 0.000 0.858 470 I N 2.829 123.410 120.570 0.017 0.000 2.185 470 I HA -0.316 3.855 4.170 0.002 0.000 0.246 470 I C 2.179 178.305 176.117 0.015 0.000 1.088 470 I CA 1.941 63.250 61.300 0.017 0.000 1.347 470 I CB -0.707 37.306 38.000 0.022 0.000 1.041 470 I HN 0.519 nan 8.210 nan 0.000 0.415 471 E N 0.040 120.252 120.200 0.019 0.000 2.153 471 E HA -0.173 4.178 4.350 0.002 0.000 0.194 471 E C 2.094 178.701 176.600 0.011 0.000 0.988 471 E CA 1.923 58.333 56.400 0.018 0.000 0.811 471 E CB -1.089 28.624 29.700 0.023 0.000 0.746 471 E HN 0.437 nan 8.360 nan 0.000 0.466 472 V N 1.697 121.617 119.914 0.010 0.000 2.453 472 V HA -0.183 3.939 4.120 0.002 0.000 0.247 472 V C 2.618 178.714 176.094 0.003 0.000 1.048 472 V CA 1.165 63.469 62.300 0.007 0.000 1.049 472 V CB -0.497 31.331 31.823 0.008 0.000 0.672 472 V HN 0.180 nan 8.190 nan 0.000 0.457 473 L N -0.582 120.642 121.223 0.003 0.000 2.056 473 L HA -0.132 4.209 4.340 0.002 0.000 0.207 473 L C 2.274 179.139 176.870 -0.008 0.000 1.078 473 L CA 1.447 56.286 54.840 -0.001 0.000 0.749 473 L CB -0.449 41.611 42.059 0.001 0.000 0.901 473 L HN 0.292 nan 8.230 nan 0.000 0.433 474 L N -0.495 120.724 121.223 -0.007 0.000 2.465 474 L HA -0.131 4.210 4.340 0.002 0.000 0.224 474 L C 2.127 178.984 176.870 -0.022 0.000 1.145 474 L CA 0.660 55.491 54.840 -0.016 0.000 0.834 474 L CB -0.482 41.573 42.059 -0.007 0.000 0.944 474 L HN 0.341 nan 8.230 nan 0.000 0.451 475 E N 0.678 120.870 120.200 -0.013 0.000 2.338 475 E HA -0.124 4.228 4.350 0.002 0.000 0.197 475 E C 2.043 178.630 176.600 -0.022 0.000 1.007 475 E CA 0.805 57.197 56.400 -0.014 0.000 0.849 475 E CB 0.004 29.702 29.700 -0.003 0.000 0.774 475 E HN 0.477 nan 8.360 nan 0.000 0.506 476 A N 1.232 124.037 122.820 -0.025 0.000 2.235 476 A HA -0.058 4.263 4.320 0.002 0.000 0.208 476 A C 2.161 179.715 177.584 -0.051 0.000 1.172 476 A CA 1.048 53.066 52.037 -0.032 0.000 0.786 476 A CB -0.594 18.390 19.000 -0.026 0.000 0.804 476 A HN 0.294 nan 8.150 nan 0.000 0.479 477 T N -2.277 112.239 114.554 -0.063 0.000 3.113 477 T HA 0.052 4.403 4.350 0.002 0.000 0.256 477 T C 0.838 175.484 174.700 -0.090 0.000 1.131 477 T CA 0.327 62.370 62.100 -0.096 0.000 1.074 477 T CB -0.427 68.365 68.868 -0.126 0.000 0.944 477 T HN 0.430 nan 8.240 nan 0.000 0.516 478 K N 3.059 123.420 120.400 -0.065 0.000 2.436 478 K HA 0.143 4.464 4.320 0.002 0.000 0.282 478 K C -2.605 173.960 176.600 -0.058 0.000 1.044 478 K CA -1.611 54.642 56.287 -0.056 0.000 1.028 478 K CB 0.153 32.630 32.500 -0.039 0.000 0.919 478 K HN 0.106 nan 8.250 nan 0.000 0.474 479 P HA -0.021 nan 4.420 nan 0.000 0.265 479 P C -1.205 176.066 177.300 -0.049 0.000 1.193 479 P CA 0.088 63.155 63.100 -0.054 0.000 0.765 479 P CB 0.803 32.474 31.700 -0.048 0.000 0.823 480 T N 0.265 114.785 114.554 -0.056 0.000 2.952 480 T HA 0.472 4.823 4.350 0.002 0.000 0.305 480 T C -0.321 174.331 174.700 -0.079 0.000 1.064 480 T CA -1.264 60.794 62.100 -0.070 0.000 1.008 480 T CB 1.220 70.031 68.868 -0.094 0.000 1.078 480 T HN 0.141 nan 8.240 nan 0.000 0.459 481 R N 2.768 123.222 120.500 -0.077 0.000 2.537 481 R HA 0.351 4.692 4.340 0.002 0.000 0.280 481 R C -1.834 174.389 176.300 -0.128 0.000 1.058 481 R CA -1.207 54.854 56.100 -0.066 0.000 1.057 481 R CB 0.208 30.488 30.300 -0.034 0.000 0.973 481 R HN 0.551 nan 8.270 nan 0.000 0.438 482 P HA 0.003 nan 4.420 nan 0.000 0.272 482 P C -0.622 176.679 177.300 0.002 0.000 1.240 482 P CA -0.117 62.940 63.100 -0.071 0.000 0.791 482 P CB 0.468 32.170 31.700 0.002 0.000 0.978 483 F N 0.965 121.102 119.950 0.312 0.000 2.459 483 F HA 0.200 4.729 4.527 0.002 0.000 0.346 483 F C -1.123 174.911 175.800 0.390 0.000 1.128 483 F CA -1.661 56.524 58.000 0.308 0.000 1.268 483 F CB -0.847 38.346 39.000 0.322 0.000 1.161 483 F HN 0.215 nan 8.300 nan 0.000 0.583 484 P HA -0.059 nan 4.420 nan 0.000 0.268 484 P C -0.687 176.882 177.300 0.447 0.000 1.205 484 P CA -0.143 63.178 63.100 0.369 0.000 0.771 484 P CB 0.800 32.636 31.700 0.226 0.000 0.858 485 W N 2.843 124.216 121.300 0.122 0.000 2.639 485 W HA 0.371 5.032 4.660 0.002 0.000 0.347 485 W C -0.154 176.410 176.519 0.076 0.000 1.067 485 W CA -0.862 56.548 57.345 0.109 0.000 1.218 485 W CB 2.026 31.551 29.460 0.108 0.000 1.393 485 W HN 0.228 nan 8.180 nan 0.000 0.557 486 L N 1.892 123.214 121.223 0.166 0.000 2.453 486 L HA -0.023 4.318 4.340 0.002 0.000 0.261 486 L C 1.290 178.276 176.870 0.193 0.000 1.179 486 L CA 0.236 55.150 54.840 0.122 0.000 0.813 486 L CB 0.576 42.656 42.059 0.035 0.000 1.110 486 L HN 0.480 nan 8.230 nan 0.000 0.466 487 D N 0.118 120.598 120.400 0.134 0.000 2.183 487 D HA -0.027 4.614 4.640 0.002 0.000 0.205 487 D C -0.144 176.221 176.300 0.108 0.000 0.962 487 D CA 1.117 55.191 54.000 0.122 0.000 0.849 487 D CB 0.543 41.394 40.800 0.084 0.000 0.978 487 D HN 0.509 nan 8.370 nan 0.000 0.488 488 E N -0.568 119.683 120.200 0.085 0.000 2.331 488 E HA 0.229 4.580 4.350 0.002 0.000 0.275 488 E C -0.890 175.743 176.600 0.055 0.000 0.895 488 E CA -0.596 55.846 56.400 0.070 0.000 0.753 488 E CB 1.876 31.606 29.700 0.050 0.000 1.216 488 E HN -0.126 nan 8.360 nan 0.000 0.434 489 T N 0.449 115.036 114.554 0.054 0.000 2.855 489 T HA -0.020 4.331 4.350 0.002 0.000 0.314 489 T C 0.711 175.419 174.700 0.013 0.000 1.077 489 T CA -0.019 62.100 62.100 0.031 0.000 1.095 489 T CB 0.349 69.241 68.868 0.039 0.000 0.987 489 T HN 0.596 nan 8.240 nan 0.000 0.546 490 D N 2.183 122.579 120.400 -0.005 0.000 2.349 490 D HA 0.038 4.679 4.640 0.002 0.000 0.214 490 D C 0.400 176.689 176.300 -0.019 0.000 1.063 490 D CA 0.144 54.137 54.000 -0.012 0.000 0.847 490 D CB 0.121 40.907 40.800 -0.022 0.000 0.933 490 D HN 0.343 nan 8.370 nan 0.000 0.513 491 M N 1.106 120.695 119.600 -0.018 0.000 2.944 491 M HA 0.230 4.711 4.480 0.002 0.000 0.235 491 M C -0.451 175.839 176.300 -0.017 0.000 1.188 491 M CA -0.344 54.937 55.300 -0.031 0.000 0.688 491 M CB 0.973 33.540 32.600 -0.055 0.000 1.406 491 M HN -0.189 nan 8.290 nan 0.000 0.479 492 K N 0.636 121.035 120.400 -0.002 0.000 2.355 492 K HA 0.127 4.448 4.320 0.002 0.000 0.270 492 K C 1.472 178.070 176.600 -0.002 0.000 1.003 492 K CA -0.153 56.143 56.287 0.015 0.000 0.957 492 K CB 1.785 34.296 32.500 0.019 0.000 0.939 492 K HN 0.319 nan 8.250 nan 0.000 0.482 493 V N -0.859 119.064 119.914 0.015 0.000 2.867 493 V HA -0.208 3.913 4.120 0.002 0.000 0.260 493 V C 0.774 176.854 176.094 -0.023 0.000 1.099 493 V CA 1.544 63.833 62.300 -0.019 0.000 1.122 493 V CB -0.389 31.433 31.823 -0.002 0.000 0.708 493 V HN 0.613 nan 8.190 nan 0.000 0.490 494 D N 1.067 121.465 120.400 -0.003 0.000 2.685 494 D HA 0.371 5.012 4.640 0.002 0.000 0.254 494 D C 1.078 177.371 176.300 -0.010 0.000 1.414 494 D CA 1.079 55.076 54.000 -0.005 0.000 1.145 494 D CB -0.479 40.326 40.800 0.009 0.000 0.941 494 D HN 0.517 nan 8.370 nan 0.000 0.250 495 G N 0.000 108.798 108.800 -0.003 0.000 5.446 495 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 495 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 495 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 495 G HN 0.000 nan 8.290 nan 0.000 0.925