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_A 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 0.000 175.501 175.510 -0.015 0.000 1.280 6 N CA 0.000 53.037 53.050 -0.021 0.000 0.885 6 N CB 0.000 38.471 38.487 -0.026 0.000 1.341 7 M N 1.672 121.264 119.600 -0.013 0.000 2.374 7 M HA 0.007 4.488 4.480 0.002 0.000 0.264 7 M C 1.519 177.830 176.300 0.019 0.000 1.067 7 M CA 0.831 56.127 55.300 -0.006 0.000 1.103 7 M CB -0.796 31.798 32.600 -0.010 0.000 1.402 7 M HN 0.610 nan 8.290 nan 0.000 0.444 8 L N 0.211 121.439 121.223 0.009 0.000 2.201 8 L HA -0.066 4.275 4.340 0.002 0.000 0.212 8 L C 1.961 178.851 176.870 0.034 0.000 1.105 8 L CA 1.355 56.200 54.840 0.009 0.000 0.775 8 L CB -0.593 41.434 42.059 -0.055 0.000 0.913 8 L HN 0.241 nan 8.230 nan 0.000 0.440 9 L N -1.089 120.147 121.223 0.022 0.000 2.478 9 L HA -0.060 4.281 4.340 0.002 0.000 0.223 9 L C 1.481 178.382 176.870 0.051 0.000 1.140 9 L CA 0.472 55.333 54.840 0.036 0.000 0.842 9 L CB -0.412 41.652 42.059 0.008 0.000 0.953 9 L HN 0.345 nan 8.230 nan 0.000 0.452 10 N N -1.062 117.663 118.700 0.041 0.000 2.236 10 N HA -0.029 4.712 4.740 0.002 0.000 0.196 10 N C 0.022 175.553 175.510 0.034 0.000 1.114 10 N CA -0.107 52.954 53.050 0.019 0.000 0.859 10 N CB 0.591 39.069 38.487 -0.016 0.000 0.982 10 N HN 0.148 nan 8.380 nan 0.000 0.493 11 Y N 2.360 122.590 120.300 -0.116 0.000 2.569 11 Y HA 0.088 4.639 4.550 0.001 0.000 0.332 11 Y C -0.297 175.425 175.900 -0.296 0.000 1.120 11 Y CA -0.064 57.898 58.100 -0.229 0.000 1.416 11 Y CB 0.398 38.653 38.460 -0.341 0.000 1.210 11 Y HN -0.294 nan 8.280 nan 0.000 0.528 12 V N 9.921 129.712 119.914 -0.206 0.000 2.384 12 V HA 0.331 4.452 4.120 0.002 0.000 0.287 12 V C -2.076 173.831 176.094 -0.312 0.000 1.020 12 V CA -2.105 60.094 62.300 -0.169 0.000 0.850 12 V CB 1.427 33.198 31.823 -0.087 0.000 0.987 12 V HN 0.728 nan 8.190 nan 0.000 0.436 13 P HA 0.127 nan 4.420 nan 0.000 0.268 13 P C -0.764 176.320 177.300 -0.360 0.000 1.205 13 P CA 0.146 63.049 63.100 -0.328 0.000 0.771 13 P CB 1.292 32.817 31.700 -0.291 0.000 0.858 14 V N 4.615 124.243 119.914 -0.476 0.000 2.448 14 V HA 0.344 4.465 4.120 0.002 0.000 0.295 14 V C -0.353 175.469 176.094 -0.453 0.000 1.025 14 V CA -0.365 61.708 62.300 -0.378 0.000 0.859 14 V CB 0.773 32.317 31.823 -0.465 0.000 0.988 14 V HN 0.429 nan 8.190 nan 0.000 0.431 15 Y N 2.662 123.055 120.300 0.154 0.000 2.549 15 Y HA 0.762 5.313 4.550 0.001 0.000 0.339 15 Y C -0.055 175.998 175.900 0.255 0.000 1.053 15 Y CA -1.086 57.121 58.100 0.178 0.000 1.105 15 Y CB 2.170 40.722 38.460 0.153 0.000 1.258 15 Y HN 0.320 nan 8.280 nan 0.000 0.478 16 V N 3.051 123.194 119.914 0.382 0.000 2.531 16 V HA 0.284 4.405 4.120 0.002 0.000 0.301 16 V C -0.395 175.855 176.094 0.260 0.000 1.034 16 V CA -0.924 61.589 62.300 0.354 0.000 0.865 16 V CB 1.639 33.645 31.823 0.304 0.000 0.995 16 V HN 0.751 nan 8.190 nan 0.000 0.424 17 M N 5.541 125.276 119.600 0.225 0.000 2.219 17 M HA 0.356 4.837 4.480 0.002 0.000 0.353 17 M C -0.468 175.913 176.300 0.135 0.000 1.304 17 M CA 0.556 55.945 55.300 0.148 0.000 1.115 17 M CB 0.141 32.803 32.600 0.104 0.000 1.664 17 M HN 0.512 nan 8.290 nan 0.000 0.459 18 L N 6.765 128.060 121.223 0.120 0.000 2.472 18 L HA 0.332 4.673 4.340 0.002 0.000 0.260 18 L C -1.955 174.984 176.870 0.116 0.000 1.209 18 L CA -1.931 52.977 54.840 0.114 0.000 0.817 18 L CB -0.064 42.058 42.059 0.105 0.000 1.106 18 L HN 0.552 nan 8.230 nan 0.000 0.479 19 P HA 0.087 nan 4.420 nan 0.000 0.268 19 P C -0.612 176.769 177.300 0.135 0.000 1.205 19 P CA -0.193 62.971 63.100 0.107 0.000 0.771 19 P CB 0.420 32.174 31.700 0.090 0.000 0.858 20 L N 2.283 123.591 121.223 0.142 0.000 2.485 20 L HA 0.217 4.558 4.340 0.002 0.000 0.275 20 L C 1.634 178.596 176.870 0.153 0.000 1.207 20 L CA 0.792 55.747 54.840 0.191 0.000 0.855 20 L CB -0.596 41.559 42.059 0.160 0.000 1.114 20 L HN 0.791 nan 8.230 nan 0.000 0.485 21 G N 2.050 110.971 108.800 0.201 0.000 2.147 21 G HA2 -0.269 3.692 3.960 0.002 0.000 0.244 21 G HA3 -0.269 3.692 3.960 0.002 0.000 0.244 21 G C 0.716 175.692 174.900 0.126 0.000 1.005 21 G CA 0.337 45.514 45.100 0.127 0.000 0.713 21 G HN 0.589 nan 8.290 nan 0.000 0.515 22 V N -0.865 119.136 119.914 0.146 0.000 2.453 22 V HA 0.021 4.142 4.120 0.002 0.000 0.252 22 V C 1.383 177.560 176.094 0.138 0.000 1.068 22 V CA 2.344 64.732 62.300 0.147 0.000 1.070 22 V CB 0.054 31.945 31.823 0.114 0.000 0.664 22 V HN 0.552 nan 8.190 nan 0.000 0.461 23 V N 2.809 122.736 119.914 0.021 0.000 2.378 23 V HA 0.365 4.486 4.120 0.002 0.000 0.288 23 V C 0.009 176.138 176.094 0.057 0.000 1.016 23 V CA -0.618 61.651 62.300 -0.053 0.000 0.840 23 V CB 1.394 32.945 31.823 -0.454 0.000 0.994 23 V HN 0.800 nan 8.190 nan 0.000 0.431 24 N N 4.369 123.109 118.700 0.068 0.000 2.294 24 N HA 0.089 4.830 4.740 0.002 0.000 0.248 24 N C 1.216 176.753 175.510 0.045 0.000 1.300 24 N CA 0.088 53.167 53.050 0.049 0.000 0.925 24 N CB 0.520 39.029 38.487 0.036 0.000 1.188 24 N HN 0.392 nan 8.380 nan 0.000 0.512 25 V N -4.035 115.882 119.914 0.006 0.000 2.867 25 V HA -0.102 4.019 4.120 0.002 0.000 0.260 25 V C 0.456 176.563 176.094 0.023 0.000 1.099 25 V CA 1.739 64.036 62.300 -0.004 0.000 1.122 25 V CB -0.771 31.026 31.823 -0.044 0.000 0.708 25 V HN 0.512 nan 8.190 nan 0.000 0.490 26 D N 0.382 120.800 120.400 0.030 0.000 2.328 26 D HA 0.117 4.758 4.640 0.002 0.000 0.226 26 D C 0.919 177.254 176.300 0.057 0.000 1.066 26 D CA 0.411 54.433 54.000 0.037 0.000 0.861 26 D CB -0.468 40.349 40.800 0.029 0.000 0.912 26 D HN 0.549 nan 8.370 nan 0.000 0.521 27 N N 0.205 118.951 118.700 0.076 0.000 2.756 27 N HA -0.171 4.570 4.740 0.002 0.000 0.248 27 N C -1.438 174.126 175.510 0.089 0.000 1.062 27 N CA 0.232 53.342 53.050 0.101 0.000 0.696 27 N CB -1.195 37.357 38.487 0.109 0.000 0.946 27 N HN -0.038 nan 8.380 nan 0.000 0.548 28 V N 1.873 121.836 119.914 0.082 0.000 2.656 28 V HA 0.431 4.552 4.120 0.002 0.000 0.307 28 V C 0.031 176.218 176.094 0.154 0.000 1.051 28 V CA -0.933 61.428 62.300 0.101 0.000 0.893 28 V CB 1.659 33.526 31.823 0.073 0.000 0.999 28 V HN 0.190 nan 8.190 nan 0.000 0.426 29 F N 3.975 123.910 119.950 -0.026 0.000 2.515 29 F HA 0.379 4.907 4.527 0.001 0.000 0.353 29 F C 1.288 177.078 175.800 -0.018 0.000 1.213 29 F CA -0.617 57.358 58.000 -0.042 0.000 1.194 29 F CB -0.224 38.754 39.000 -0.036 0.000 1.488 29 F HN 0.738 nan 8.300 nan 0.000 0.619 30 E N 1.673 121.931 120.200 0.096 0.000 2.021 30 E HA -0.236 4.115 4.350 0.002 0.000 0.200 30 E C 0.111 176.602 176.600 -0.181 0.000 1.015 30 E CA 1.540 57.915 56.400 -0.041 0.000 0.824 30 E CB 0.040 29.745 29.700 0.009 0.000 0.762 30 E HN 0.424 nan 8.360 nan 0.000 0.454 31 D N -0.538 119.738 120.400 -0.207 0.000 2.590 31 D HA 0.124 4.765 4.640 0.002 0.000 0.280 31 D C -2.067 173.993 176.300 -0.400 0.000 1.197 31 D CA -2.191 51.668 54.000 -0.235 0.000 0.967 31 D CB 0.918 41.660 40.800 -0.096 0.000 0.987 31 D HN -0.149 nan 8.370 nan 0.000 0.508 32 P HA -0.090 nan 4.420 nan 0.000 0.215 32 P C 0.961 178.113 177.300 -0.247 0.000 1.157 32 P CA 0.834 63.501 63.100 -0.721 0.000 0.868 32 P CB 0.421 31.735 31.700 -0.643 0.000 0.788 33 D N -0.850 119.441 120.400 -0.181 0.000 2.117 33 D HA -0.097 4.544 4.640 0.002 0.000 0.197 33 D C 2.215 178.478 176.300 -0.062 0.000 0.987 33 D CA 1.710 55.656 54.000 -0.091 0.000 0.829 33 D CB -0.900 39.854 40.800 -0.077 0.000 0.961 33 D HN 0.190 nan 8.370 nan 0.000 0.460 34 G N 1.054 109.812 108.800 -0.070 0.000 2.402 34 G HA2 -0.195 3.766 3.960 0.002 0.000 0.216 34 G HA3 -0.195 3.766 3.960 0.002 0.000 0.216 34 G C 1.654 176.544 174.900 -0.016 0.000 1.162 34 G CA 0.324 45.400 45.100 -0.042 0.000 0.777 34 G HN 0.209 nan 8.290 nan 0.000 0.539 35 L N 0.751 121.976 121.223 0.003 0.000 2.056 35 L HA 0.110 4.451 4.340 0.002 0.000 0.207 35 L C 2.618 179.524 176.870 0.059 0.000 1.078 35 L CA 2.250 57.128 54.840 0.065 0.000 0.749 35 L CB -0.445 41.717 42.059 0.172 0.000 0.901 35 L HN 0.202 nan 8.230 nan 0.000 0.433 36 K N -0.738 119.690 120.400 0.046 0.000 2.063 36 K HA -0.244 4.077 4.320 0.002 0.000 0.208 36 K C 2.116 178.727 176.600 0.019 0.000 1.048 36 K CA 1.539 57.852 56.287 0.044 0.000 0.928 36 K CB -0.174 32.344 32.500 0.031 0.000 0.713 36 K HN 0.298 nan 8.250 nan 0.000 0.442 37 E N 1.234 121.432 120.200 -0.002 0.000 2.085 37 E HA -0.213 4.138 4.350 0.002 0.000 0.194 37 E C 1.981 178.563 176.600 -0.030 0.000 0.994 37 E CA 1.523 57.912 56.400 -0.019 0.000 0.801 37 E CB -0.044 29.636 29.700 -0.033 0.000 0.743 37 E HN 0.435 nan 8.360 nan 0.000 0.453 38 Q N -0.191 119.593 119.800 -0.026 0.000 2.079 38 Q HA -0.079 4.262 4.340 0.002 0.000 0.200 38 Q C 2.536 178.530 176.000 -0.009 0.000 0.974 38 Q CA 1.137 56.916 55.803 -0.041 0.000 0.840 38 Q CB -0.088 28.637 28.738 -0.022 0.000 0.898 38 Q HN 0.299 nan 8.270 nan 0.000 0.430 39 L N 0.321 121.559 121.223 0.025 0.000 2.093 39 L HA -0.186 4.155 4.340 0.002 0.000 0.208 39 L C 2.292 179.185 176.870 0.037 0.000 1.085 39 L CA 0.808 55.675 54.840 0.045 0.000 0.755 39 L CB -0.434 41.662 42.059 0.062 0.000 0.904 39 L HN 0.262 nan 8.230 nan 0.000 0.435 40 L N -0.650 120.589 121.223 0.025 0.000 2.083 40 L HA -0.233 4.108 4.340 0.002 0.000 0.209 40 L C 2.726 179.616 176.870 0.034 0.000 1.083 40 L CA 1.291 56.146 54.840 0.024 0.000 0.752 40 L CB -0.416 41.653 42.059 0.016 0.000 0.899 40 L HN 0.360 nan 8.230 nan 0.000 0.433 41 Q N -0.446 119.366 119.800 0.021 0.000 2.123 41 Q HA -0.129 4.212 4.340 0.002 0.000 0.199 41 Q C 2.390 178.512 176.000 0.203 0.000 0.966 41 Q CA 1.015 56.851 55.803 0.055 0.000 0.845 41 Q CB 0.000 28.655 28.738 -0.139 0.000 0.907 41 Q HN 0.537 nan 8.270 nan 0.000 0.439 42 L N 0.271 121.583 121.223 0.148 0.000 2.017 42 L HA -0.195 4.146 4.340 0.002 0.000 0.208 42 L C 2.590 179.529 176.870 0.114 0.000 1.073 42 L CA 1.099 56.061 54.840 0.203 0.000 0.745 42 L CB -0.369 41.773 42.059 0.138 0.000 0.894 42 L HN 0.147 nan 8.230 nan 0.000 0.432 43 R N 0.769 121.291 120.500 0.037 0.000 2.127 43 R HA -0.136 4.205 4.340 0.002 0.000 0.238 43 R C 2.072 178.344 176.300 -0.047 0.000 1.134 43 R CA 1.660 57.722 56.100 -0.062 0.000 0.975 43 R CB -0.574 29.694 30.300 -0.054 0.000 0.865 43 R HN 0.341 nan 8.270 nan 0.000 0.447 44 A N -0.437 122.409 122.820 0.042 0.000 2.066 44 A HA 0.145 4.466 4.320 0.002 0.000 0.218 44 A C 2.096 179.714 177.584 0.057 0.000 1.157 44 A CA 1.208 53.281 52.037 0.059 0.000 0.670 44 A CB -0.514 18.546 19.000 0.100 0.000 0.804 44 A HN 0.413 nan 8.150 nan 0.000 0.453 45 A N -1.869 121.002 122.820 0.085 0.000 2.208 45 A HA 0.410 4.731 4.320 0.002 0.000 0.209 45 A C 1.779 179.310 177.584 -0.088 0.000 1.161 45 A CA 1.263 53.288 52.037 -0.020 0.000 0.782 45 A CB -0.645 18.371 19.000 0.027 0.000 0.816 45 A HN 1.753 nan 8.150 nan 0.000 0.477 46 G N -1.675 107.086 108.800 -0.066 0.000 2.176 46 G HA2 -0.190 3.771 3.960 0.002 0.000 0.232 46 G HA3 -0.190 3.771 3.960 0.002 0.000 0.232 46 G C 0.228 175.088 174.900 -0.067 0.000 0.986 46 G CA -0.025 45.046 45.100 -0.048 0.000 0.643 46 G HN 0.749 nan 8.290 nan 0.000 0.522 47 V N 1.074 120.924 119.914 -0.106 0.000 2.694 47 V HA 0.144 4.265 4.120 0.002 0.000 0.306 47 V C 1.584 177.600 176.094 -0.130 0.000 1.054 47 V CA 1.529 63.779 62.300 -0.082 0.000 1.161 47 V CB 0.912 32.766 31.823 0.052 0.000 0.916 47 V HN 0.438 nan 8.190 nan 0.000 0.490 48 D N 2.098 122.442 120.400 -0.093 0.000 2.137 48 D HA 0.280 4.921 4.640 0.002 0.000 0.202 48 D C 0.855 177.182 176.300 0.046 0.000 0.970 48 D CA 1.368 55.365 54.000 -0.004 0.000 0.837 48 D CB 0.133 40.867 40.800 -0.111 0.000 0.981 48 D HN 0.784 nan 8.370 nan 0.000 0.475 49 G N -0.985 107.849 108.800 0.057 0.000 2.619 49 G HA2 0.523 4.484 3.960 0.002 0.000 0.305 49 G HA3 0.523 4.484 3.960 0.002 0.000 0.305 49 G C -1.533 173.595 174.900 0.379 0.000 1.330 49 G CA -0.285 45.014 45.100 0.332 0.000 0.789 49 G HN 0.221 nan 8.290 nan 0.000 0.487 50 V N -2.791 117.318 119.914 0.325 0.000 3.141 50 V HA 0.920 5.041 4.120 0.002 0.000 0.312 50 V C -0.392 175.804 176.094 0.169 0.000 1.157 50 V CA -1.073 61.373 62.300 0.243 0.000 1.041 50 V CB 2.017 33.935 31.823 0.159 0.000 1.071 50 V HN 1.091 nan 8.190 nan 0.000 0.441 51 M N 2.169 121.847 119.600 0.130 0.000 2.464 51 M HA 0.864 5.345 4.480 0.002 0.000 0.308 51 M C -2.103 174.223 176.300 0.045 0.000 1.127 51 M CA -0.720 54.613 55.300 0.055 0.000 0.913 51 M CB 2.111 34.739 32.600 0.048 0.000 1.689 51 M HN 0.864 nan 8.290 nan 0.000 0.445 52 V N 3.707 123.622 119.914 0.002 0.000 2.932 52 V HA 0.437 4.558 4.120 0.002 0.000 0.307 52 V C -1.441 174.590 176.094 -0.104 0.000 1.147 52 V CA -0.658 61.646 62.300 0.006 0.000 0.951 52 V CB 2.599 34.469 31.823 0.079 0.000 1.031 52 V HN 0.918 nan 8.190 nan 0.000 0.426 53 D N 3.819 124.095 120.400 -0.207 0.000 2.312 53 D HA 0.268 4.909 4.640 0.002 0.000 0.252 53 D C -0.376 175.590 176.300 -0.557 0.000 1.150 53 D CA 0.124 53.749 54.000 -0.625 0.000 0.870 53 D CB 2.068 42.064 40.800 -1.341 0.000 1.153 53 D HN 0.336 nan 8.370 nan 0.000 0.457 54 V N 4.206 123.794 119.914 -0.544 0.000 2.218 54 V HA 0.078 4.199 4.120 0.002 0.000 0.261 54 V C -0.177 175.739 176.094 -0.297 0.000 1.142 54 V CA -0.876 61.133 62.300 -0.484 0.000 0.965 54 V CB -0.658 30.926 31.823 -0.397 0.000 1.190 54 V HN 0.457 nan 8.190 nan 0.000 0.478 55 W N 2.906 124.236 121.300 0.049 0.000 2.417 55 W HA 0.008 4.670 4.660 0.003 0.000 0.332 55 W C 1.115 177.739 176.519 0.175 0.000 1.413 55 W CA -0.149 57.236 57.345 0.067 0.000 1.299 55 W CB 0.289 29.806 29.460 0.096 0.000 1.304 55 W HN 0.736 nan 8.180 nan 0.000 0.565 56 W N 3.550 124.926 121.300 0.128 0.000 2.363 56 W HA -0.114 4.548 4.660 0.004 0.000 0.296 56 W C 1.924 178.568 176.519 0.207 0.000 1.212 56 W CA 1.968 59.361 57.345 0.080 0.000 1.260 56 W CB -0.848 28.598 29.460 -0.024 0.000 1.131 56 W HN 0.403 nan 8.180 nan 0.000 0.530 57 G N 0.407 109.288 108.800 0.134 0.000 2.498 57 G HA2 -0.183 3.778 3.960 0.002 0.000 0.219 57 G HA3 -0.183 3.778 3.960 0.002 0.000 0.219 57 G C 1.500 176.418 174.900 0.030 0.000 1.119 57 G CA 1.194 46.242 45.100 -0.087 0.000 0.766 57 G HN 0.370 nan 8.290 nan 0.000 0.552 58 I N 0.213 120.899 120.570 0.194 0.000 2.499 58 I HA 0.043 4.214 4.170 0.002 0.000 0.243 58 I C 2.370 178.596 176.117 0.182 0.000 1.085 58 I CA 0.008 61.430 61.300 0.203 0.000 1.422 58 I CB -0.093 38.117 38.000 0.350 0.000 1.165 58 I HN -0.029 nan 8.210 nan 0.000 0.440 59 I N 0.957 121.658 120.570 0.218 0.000 2.127 59 I HA -0.272 3.899 4.170 0.002 0.000 0.241 59 I C 1.883 178.067 176.117 0.112 0.000 1.075 59 I CA 1.759 63.087 61.300 0.047 0.000 1.334 59 I CB -1.028 36.876 38.000 -0.160 0.000 1.040 59 I HN 0.353 nan 8.210 nan 0.000 0.405 60 E N 0.738 121.134 120.200 0.327 0.000 2.405 60 E HA 0.030 4.381 4.350 0.002 0.000 0.214 60 E C 1.511 178.274 176.600 0.272 0.000 1.101 60 E CA -0.230 56.361 56.400 0.319 0.000 1.254 60 E CB 0.151 30.263 29.700 0.686 0.000 1.240 60 E HN 0.176 nan 8.360 nan 0.000 0.439 61 L N 0.742 122.053 121.223 0.147 0.000 2.072 61 L HA -0.019 4.322 4.340 0.002 0.000 0.205 61 L C 1.870 178.839 176.870 0.165 0.000 1.079 61 L CA 1.656 56.572 54.840 0.127 0.000 0.752 61 L CB -0.142 41.952 42.059 0.059 0.000 0.906 61 L HN 0.012 nan 8.230 nan 0.000 0.436 62 K N 0.198 120.646 120.400 0.079 0.000 2.089 62 K HA 0.080 4.401 4.320 0.002 0.000 0.210 62 K C 0.784 177.370 176.600 -0.022 0.000 1.048 62 K CA 1.079 57.380 56.287 0.023 0.000 0.926 62 K CB -0.587 31.901 32.500 -0.021 0.000 0.714 62 K HN 0.599 nan 8.250 nan 0.000 0.448 63 G N -2.362 106.369 108.800 -0.115 0.000 2.321 63 G HA2 0.178 4.139 3.960 0.002 0.000 0.298 63 G HA3 0.178 4.139 3.960 0.002 0.000 0.298 63 G C -3.037 171.393 174.900 -0.783 0.000 1.385 63 G CA -1.211 43.592 45.100 -0.495 0.000 0.856 63 G HN -0.263 nan 8.290 nan 0.000 0.584 64 P HA 0.172 nan 4.420 nan 0.000 0.261 64 P C 0.107 177.119 177.300 -0.479 0.000 1.173 64 P CA 0.700 63.228 63.100 -0.954 0.000 0.760 64 P CB 0.240 31.441 31.700 -0.831 0.000 0.783 65 K N 0.511 120.670 120.400 -0.401 0.000 3.048 65 K HA -0.264 4.057 4.320 0.002 0.000 0.274 65 K C -0.282 175.924 176.600 -0.656 0.000 1.098 65 K CA 0.860 56.834 56.287 -0.522 0.000 0.807 65 K CB -1.609 30.841 32.500 -0.084 0.000 1.217 65 K HN 0.637 nan 8.250 nan 0.000 0.477 66 Q N 0.778 120.199 119.800 -0.633 0.000 2.509 66 Q HA 0.238 4.579 4.340 0.002 0.000 0.236 66 Q C -1.137 174.653 176.000 -0.350 0.000 1.073 66 Q CA -0.401 55.191 55.803 -0.352 0.000 0.867 66 Q CB 0.462 29.072 28.738 -0.213 0.000 1.181 66 Q HN 0.135 nan 8.270 nan 0.000 0.526 67 Y N 0.560 120.864 120.300 0.008 0.000 2.328 67 Y HA 0.265 4.816 4.550 0.002 0.000 0.337 67 Y C 0.131 175.871 175.900 -0.265 0.000 1.008 67 Y CA -1.239 56.751 58.100 -0.182 0.000 1.129 67 Y CB 1.066 39.444 38.460 -0.135 0.000 1.185 67 Y HN 0.365 nan 8.280 nan 0.000 0.476 68 D N 2.887 123.152 120.400 -0.224 0.000 2.461 68 D HA 0.173 4.814 4.640 0.002 0.000 0.240 68 D C -0.734 175.480 176.300 -0.143 0.000 1.094 68 D CA -0.751 53.193 54.000 -0.092 0.000 0.868 68 D CB 0.343 41.147 40.800 0.007 0.000 1.062 68 D HN 0.594 nan 8.370 nan 0.000 0.530 69 W N 2.822 124.238 121.300 0.193 0.000 3.278 69 W HA 0.226 4.888 4.660 0.004 0.000 0.308 69 W C 2.036 178.672 176.519 0.196 0.000 1.253 69 W CA -0.540 56.919 57.345 0.190 0.000 1.759 69 W CB 0.315 29.832 29.460 0.096 0.000 1.093 69 W HN 0.265 nan 8.180 nan 0.000 0.648 70 R N 1.045 121.741 120.500 0.327 0.000 2.122 70 R HA -0.239 4.102 4.340 0.002 0.000 0.236 70 R C 2.410 178.848 176.300 0.230 0.000 1.129 70 R CA 2.160 58.409 56.100 0.249 0.000 0.925 70 R CB -1.084 29.324 30.300 0.180 0.000 0.850 70 R HN 0.200 nan 8.270 nan 0.000 0.431 71 A N 0.228 123.168 122.820 0.199 0.000 1.908 71 A HA -0.208 4.113 4.320 0.002 0.000 0.218 71 A C 2.015 179.605 177.584 0.010 0.000 1.181 71 A CA 1.431 53.540 52.037 0.120 0.000 0.627 71 A CB -0.807 18.238 19.000 0.075 0.000 0.818 71 A HN 0.385 nan 8.150 nan 0.000 0.445 72 Y N -0.288 120.084 120.300 0.121 0.000 2.242 72 Y HA -0.143 4.409 4.550 0.002 0.000 0.291 72 Y C 2.665 178.581 175.900 0.026 0.000 1.137 72 Y CA 1.733 59.879 58.100 0.078 0.000 1.181 72 Y CB -0.186 38.434 38.460 0.267 0.000 0.989 72 Y HN 0.235 nan 8.280 nan 0.000 0.527 73 R N -0.835 119.832 120.500 0.277 0.000 2.120 73 R HA -0.141 4.200 4.340 0.002 0.000 0.234 73 R C 2.304 178.705 176.300 0.168 0.000 1.123 73 R CA 1.511 57.768 56.100 0.263 0.000 0.975 73 R CB -0.385 30.116 30.300 0.335 0.000 0.866 73 R HN 0.203 nan 8.270 nan 0.000 0.446 74 S N 1.140 116.916 115.700 0.127 0.000 2.383 74 S HA -0.109 4.362 4.470 0.002 0.000 0.227 74 S C 1.766 176.354 174.600 -0.020 0.000 1.026 74 S CA 0.812 59.101 58.200 0.147 0.000 0.981 74 S CB -0.148 63.218 63.200 0.276 0.000 0.818 74 S HN 0.186 nan 8.310 nan 0.000 0.472 75 L N 1.365 122.349 121.223 -0.399 0.000 2.027 75 L HA 0.063 4.404 4.340 0.002 0.000 0.206 75 L C 1.863 178.548 176.870 -0.308 0.000 1.074 75 L CA 1.570 55.986 54.840 -0.707 0.000 0.745 75 L CB -0.682 40.866 42.059 -0.852 0.000 0.898 75 L HN 0.149 nan 8.230 nan 0.000 0.433 76 L N -0.456 120.577 121.223 -0.316 0.000 2.131 76 L HA -0.166 4.175 4.340 0.002 0.000 0.210 76 L C 2.607 179.189 176.870 -0.480 0.000 1.092 76 L CA 1.633 56.156 54.840 -0.530 0.000 0.759 76 L CB -0.931 40.501 42.059 -1.045 0.000 0.903 76 L HN 0.457 nan 8.230 nan 0.000 0.435 77 Q N -0.647 119.039 119.800 -0.191 0.000 2.119 77 Q HA -0.197 4.144 4.340 0.002 0.000 0.201 77 Q C 2.086 178.149 176.000 0.105 0.000 0.972 77 Q CA 1.590 57.477 55.803 0.140 0.000 0.847 77 Q CB -0.388 28.514 28.738 0.274 0.000 0.903 77 Q HN 0.397 nan 8.270 nan 0.000 0.433 78 L N -0.734 120.543 121.223 0.090 0.000 2.056 78 L HA -0.057 4.284 4.340 0.002 0.000 0.207 78 L C 2.002 178.920 176.870 0.081 0.000 1.078 78 L CA 1.443 56.359 54.840 0.127 0.000 0.749 78 L CB -0.703 41.498 42.059 0.237 0.000 0.901 78 L HN 0.130 nan 8.230 nan 0.000 0.433 79 V N -0.072 119.858 119.914 0.026 0.000 2.332 79 V HA -0.347 3.774 4.120 0.002 0.000 0.248 79 V C 2.634 178.756 176.094 0.045 0.000 1.055 79 V CA 2.136 64.452 62.300 0.026 0.000 1.038 79 V CB -0.766 31.048 31.823 -0.016 0.000 0.651 79 V HN 0.671 nan 8.190 nan 0.000 0.450 80 Q N 0.017 119.843 119.800 0.043 0.000 2.050 80 Q HA -0.259 4.082 4.340 0.002 0.000 0.202 80 Q C 2.212 178.271 176.000 0.099 0.000 0.980 80 Q CA 2.049 57.908 55.803 0.093 0.000 0.840 80 Q CB -0.108 28.726 28.738 0.161 0.000 0.898 80 Q HN 0.741 nan 8.270 nan 0.000 0.424 81 E N -0.651 119.608 120.200 0.098 0.000 2.204 81 E HA -0.174 4.177 4.350 0.002 0.000 0.195 81 E C 1.858 178.502 176.600 0.073 0.000 0.990 81 E CA 1.029 57.482 56.400 0.088 0.000 0.821 81 E CB -0.010 29.744 29.700 0.090 0.000 0.750 81 E HN 0.403 nan 8.360 nan 0.000 0.477 82 C N 0.080 119.422 119.300 0.069 0.000 2.562 82 C HA 0.203 4.664 4.460 0.002 0.000 0.266 82 C C 1.579 176.599 174.990 0.049 0.000 1.382 82 C CA 0.432 59.483 59.018 0.056 0.000 1.742 82 C CB -1.008 26.765 27.740 0.054 0.000 1.812 82 C HN 0.675 nan 8.230 nan 0.000 0.559 83 G N 0.895 109.735 108.800 0.067 0.000 2.212 83 G HA2 -0.219 3.742 3.960 0.002 0.000 0.255 83 G HA3 -0.219 3.742 3.960 0.002 0.000 0.255 83 G C -0.364 174.580 174.900 0.074 0.000 1.062 83 G CA -0.080 45.067 45.100 0.079 0.000 0.815 83 G HN 0.511 nan 8.290 nan 0.000 0.497 84 L N 0.416 121.686 121.223 0.079 0.000 2.354 84 L HA 0.747 5.088 4.340 0.002 0.000 0.269 84 L C 1.086 178.036 176.870 0.133 0.000 1.005 84 L CA -0.661 54.236 54.840 0.094 0.000 0.819 84 L CB 2.122 44.227 42.059 0.078 0.000 1.311 84 L HN 0.332 nan 8.230 nan 0.000 0.423 85 T N -0.141 114.527 114.554 0.190 0.000 2.847 85 T HA 0.566 4.917 4.350 0.002 0.000 0.279 85 T C -0.590 174.216 174.700 0.176 0.000 0.984 85 T CA -0.720 61.499 62.100 0.198 0.000 0.988 85 T CB 1.784 70.816 68.868 0.273 0.000 1.040 85 T HN 0.313 nan 8.240 nan 0.000 0.528 86 L N 0.744 122.034 121.223 0.112 0.000 2.408 86 L HA 0.447 4.788 4.340 0.002 0.000 0.268 86 L C -1.105 175.762 176.870 -0.006 0.000 0.986 86 L CA -0.611 54.264 54.840 0.059 0.000 0.820 86 L CB 1.986 44.059 42.059 0.023 0.000 1.303 86 L HN 0.887 nan 8.230 nan 0.000 0.411 87 Q N 3.362 123.132 119.800 -0.051 0.000 2.347 87 Q HA 0.650 4.991 4.340 0.002 0.000 0.262 87 Q C -0.491 175.451 176.000 -0.097 0.000 0.980 87 Q CA -0.508 55.224 55.803 -0.120 0.000 0.867 87 Q CB 2.015 30.639 28.738 -0.190 0.000 1.242 87 Q HN 0.726 nan 8.270 nan 0.000 0.453 88 A N 4.379 127.120 122.820 -0.131 0.000 2.260 88 A HA 0.541 4.862 4.320 0.002 0.000 0.314 88 A C -0.390 177.034 177.584 -0.267 0.000 1.257 88 A CA -0.577 51.352 52.037 -0.181 0.000 0.871 88 A CB 0.341 19.226 19.000 -0.191 0.000 1.166 88 A HN 0.771 nan 8.150 nan 0.000 0.522 89 I N 3.496 123.903 120.570 -0.272 0.000 2.315 89 I HA 0.176 4.347 4.170 0.002 0.000 0.291 89 I C -0.051 175.826 176.117 -0.400 0.000 1.006 89 I CA -0.396 60.725 61.300 -0.298 0.000 1.265 89 I CB 1.364 39.201 38.000 -0.272 0.000 1.387 89 I HN 0.504 nan 8.210 nan 0.000 0.475 90 M N 5.234 124.590 119.600 -0.406 0.000 2.775 90 M HA 0.132 4.613 4.480 0.002 0.000 0.313 90 M C -0.027 175.817 176.300 -0.760 0.000 1.429 90 M CA 0.184 55.138 55.300 -0.578 0.000 1.494 90 M CB -0.355 31.975 32.600 -0.450 0.000 1.274 90 M HN 0.408 nan 8.290 nan 0.000 0.491 91 S N 3.446 118.748 115.700 -0.664 0.000 2.681 91 S HA 0.269 4.740 4.470 0.002 0.000 0.313 91 S C 0.339 174.773 174.600 -0.277 0.000 1.137 91 S CA -0.391 57.535 58.200 -0.456 0.000 1.045 91 S CB -0.575 62.112 63.200 -0.854 0.000 1.208 91 S HN 0.386 nan 8.310 nan 0.000 0.523 92 F N 3.425 123.451 119.950 0.127 0.000 2.777 92 F HA 0.188 4.716 4.527 0.001 0.000 0.291 92 F C 1.471 177.633 175.800 0.602 0.000 1.187 92 F CA -0.518 57.597 58.000 0.192 0.000 1.406 92 F CB -0.371 38.429 39.000 -0.332 0.000 0.982 92 F HN 0.565 nan 8.300 nan 0.000 0.509 93 H N -1.636 117.784 119.070 0.583 0.000 2.908 93 H HA 0.405 4.963 4.556 0.003 0.000 0.350 93 H C -0.839 174.776 175.328 0.479 0.000 1.217 93 H CA -1.261 55.120 56.048 0.556 0.000 1.168 93 H CB 0.828 30.827 29.762 0.395 0.000 1.891 93 H HN 0.155 nan 8.280 nan 0.000 0.566 94 Q N 0.628 120.628 119.800 0.333 0.000 2.293 94 Q HA 0.340 4.681 4.340 0.002 0.000 0.251 94 Q C -0.851 175.133 176.000 -0.027 0.000 0.930 94 Q CA -0.597 55.250 55.803 0.074 0.000 0.893 94 Q CB 0.966 29.739 28.738 0.058 0.000 1.215 94 Q HN 0.600 nan 8.270 nan 0.000 0.425 95 C N 4.493 123.537 119.300 -0.427 0.000 2.330 95 C HA 0.785 5.246 4.460 0.002 0.000 0.344 95 C C 1.012 175.850 174.990 -0.253 0.000 1.273 95 C CA 0.979 59.668 59.018 -0.548 0.000 1.879 95 C CB -0.862 26.049 27.740 -1.381 0.000 2.376 95 C HN 1.116 nan 8.230 nan 0.000 0.534 96 G N 4.003 112.747 108.800 -0.093 0.000 2.575 96 G HA2 0.294 4.255 3.960 0.002 0.000 0.267 96 G HA3 0.294 4.255 3.960 0.002 0.000 0.267 96 G C 0.855 175.725 174.900 -0.049 0.000 1.264 96 G CA 0.694 45.759 45.100 -0.058 0.000 0.935 96 G HN 2.585 nan 8.290 nan 0.000 0.568 97 G N -2.321 106.448 108.800 -0.053 0.000 2.296 97 G HA2 -0.126 3.835 3.960 0.002 0.000 0.188 97 G HA3 -0.126 3.835 3.960 0.002 0.000 0.188 97 G C 0.137 175.017 174.900 -0.034 0.000 1.000 97 G CA 0.907 45.978 45.100 -0.048 0.000 0.672 97 G HN 1.296 nan 8.290 nan 0.000 0.483 98 N N 0.114 118.802 118.700 -0.021 0.000 2.472 98 N HA 0.486 5.227 4.740 0.002 0.000 0.289 98 N C 0.081 175.582 175.510 -0.015 0.000 1.156 98 N CA -0.284 52.758 53.050 -0.012 0.000 0.940 98 N CB 2.212 40.702 38.487 0.005 0.000 1.200 98 N HN 0.236 nan 8.380 nan 0.000 0.511 99 V N 0.994 120.900 119.914 -0.013 0.000 2.493 99 V HA 0.321 4.442 4.120 0.002 0.000 0.292 99 V C 1.249 177.336 176.094 -0.011 0.000 1.016 99 V CA 1.795 64.086 62.300 -0.014 0.000 1.097 99 V CB -0.343 31.472 31.823 -0.013 0.000 0.947 99 V HN 0.993 nan 8.190 nan 0.000 0.479 100 G N 4.767 113.559 108.800 -0.013 0.000 2.316 100 G HA2 -0.168 3.793 3.960 0.002 0.000 0.203 100 G HA3 -0.168 3.793 3.960 0.002 0.000 0.203 100 G C -0.079 174.815 174.900 -0.010 0.000 0.999 100 G CA 0.009 45.102 45.100 -0.011 0.000 0.649 100 G HN 0.700 nan 8.290 nan 0.000 0.489 101 D N 0.860 121.252 120.400 -0.013 0.000 2.371 101 D HA 0.455 5.096 4.640 0.002 0.000 0.256 101 D C 1.742 178.028 176.300 -0.025 0.000 1.193 101 D CA -0.186 53.804 54.000 -0.016 0.000 0.881 101 D CB 1.148 41.934 40.800 -0.023 0.000 1.143 101 D HN 0.286 nan 8.370 nan 0.000 0.473 102 I N 1.220 121.779 120.570 -0.019 0.000 2.193 102 I HA -0.140 4.031 4.170 0.002 0.000 0.240 102 I C 0.887 176.982 176.117 -0.037 0.000 1.084 102 I CA 0.771 62.058 61.300 -0.022 0.000 1.365 102 I CB 0.128 38.123 38.000 -0.009 0.000 1.064 102 I HN 0.101 nan 8.210 nan 0.000 0.410 103 V N 3.466 123.352 119.914 -0.046 0.000 2.348 103 V HA 0.214 4.335 4.120 0.002 0.000 0.270 103 V C -0.538 175.471 176.094 -0.142 0.000 1.037 103 V CA -0.427 61.823 62.300 -0.083 0.000 0.872 103 V CB 0.485 32.266 31.823 -0.069 0.000 1.002 103 V HN 0.282 nan 8.190 nan 0.000 0.464 104 N N 6.133 124.740 118.700 -0.155 0.000 2.443 104 N HA 0.564 5.305 4.740 0.002 0.000 0.269 104 N C -0.908 174.456 175.510 -0.243 0.000 0.985 104 N CA -0.268 52.671 53.050 -0.185 0.000 0.921 104 N CB 2.572 40.987 38.487 -0.121 0.000 1.195 104 N HN 0.521 nan 8.380 nan 0.000 0.492 105 I N 3.612 123.961 120.570 -0.369 0.000 2.495 105 I HA 0.264 4.435 4.170 0.002 0.000 0.277 105 I C -2.218 173.711 176.117 -0.313 0.000 1.045 105 I CA -1.766 59.296 61.300 -0.395 0.000 1.135 105 I CB 2.204 39.784 38.000 -0.699 0.000 1.241 105 I HN 0.141 nan 8.210 nan 0.000 0.469 106 P HA 0.243 nan 4.420 nan 0.000 0.274 106 P C 0.082 177.283 177.300 -0.165 0.000 1.256 106 P CA -0.316 62.695 63.100 -0.149 0.000 0.795 106 P CB 1.148 32.772 31.700 -0.127 0.000 1.038 107 I N -2.638 117.837 120.570 -0.159 0.000 3.194 107 I HA 0.245 4.416 4.170 0.002 0.000 0.283 107 I C -2.303 173.501 176.117 -0.522 0.000 1.199 107 I CA -2.413 58.678 61.300 -0.349 0.000 1.328 107 I CB -1.291 36.524 38.000 -0.308 0.000 1.404 107 I HN 0.109 nan 8.210 nan 0.000 0.618 108 P HA -0.094 nan 4.420 nan 0.000 0.263 108 P C -0.072 176.900 177.300 -0.547 0.000 1.168 108 P CA 0.387 63.045 63.100 -0.736 0.000 0.759 108 P CB 0.451 31.453 31.700 -1.164 0.000 0.782 109 Q N 4.381 124.040 119.800 -0.236 0.000 2.124 109 Q HA -0.154 4.187 4.340 0.002 0.000 0.202 109 Q C 1.572 177.564 176.000 -0.013 0.000 0.977 109 Q CA 1.845 57.595 55.803 -0.089 0.000 0.850 109 Q CB -0.635 28.108 28.738 0.009 0.000 0.901 109 Q HN 0.686 nan 8.270 nan 0.000 0.429 110 W N -1.147 120.143 121.300 -0.017 0.000 2.421 110 W HA -0.023 4.637 4.660 -0.000 0.000 0.270 110 W C 1.106 177.666 176.519 0.070 0.000 1.233 110 W CA 0.792 58.172 57.345 0.058 0.000 1.226 110 W CB -0.730 28.785 29.460 0.093 0.000 1.121 110 W HN -0.012 nan 8.180 nan 0.000 0.579 111 V N 2.139 121.692 119.914 -0.602 0.000 2.407 111 V HA -0.245 3.876 4.120 0.002 0.000 0.245 111 V C 2.705 178.723 176.094 -0.128 0.000 1.041 111 V CA 1.400 63.381 62.300 -0.531 0.000 1.040 111 V CB -0.752 30.543 31.823 -0.880 0.000 0.671 111 V HN 0.085 nan 8.190 nan 0.000 0.455 112 L N -0.135 121.036 121.223 -0.087 0.000 2.083 112 L HA -0.184 4.157 4.340 0.002 0.000 0.209 112 L C 2.350 179.303 176.870 0.139 0.000 1.083 112 L CA 1.422 56.325 54.840 0.105 0.000 0.752 112 L CB -0.722 41.361 42.059 0.041 0.000 0.899 112 L HN 0.357 nan 8.230 nan 0.000 0.433 113 D N 0.375 120.844 120.400 0.115 0.000 2.117 113 D HA -0.167 4.474 4.640 0.002 0.000 0.197 113 D C 2.276 178.665 176.300 0.149 0.000 0.987 113 D CA 1.324 55.412 54.000 0.146 0.000 0.829 113 D CB -0.066 40.842 40.800 0.179 0.000 0.961 113 D HN 0.344 nan 8.370 nan 0.000 0.460 114 I N 0.996 121.648 120.570 0.136 0.000 2.286 114 I HA -0.164 4.007 4.170 0.002 0.000 0.248 114 I C 2.538 178.702 176.117 0.079 0.000 1.115 114 I CA 1.214 62.564 61.300 0.083 0.000 1.392 114 I CB -0.465 37.571 38.000 0.060 0.000 1.065 114 I HN 0.008 nan 8.210 nan 0.000 0.418 115 G N 0.259 109.123 108.800 0.107 0.000 2.432 115 G HA2 -0.210 3.751 3.960 0.002 0.000 0.219 115 G HA3 -0.210 3.751 3.960 0.002 0.000 0.219 115 G C 1.550 176.677 174.900 0.378 0.000 1.135 115 G CA 0.381 45.578 45.100 0.162 0.000 0.767 115 G HN 0.273 nan 8.290 nan 0.000 0.550 116 E N 0.793 121.173 120.200 0.301 0.000 2.110 116 E HA -0.053 4.298 4.350 0.002 0.000 0.193 116 E C 2.534 179.307 176.600 0.288 0.000 0.988 116 E CA 0.933 57.526 56.400 0.321 0.000 0.804 116 E CB -0.124 29.696 29.700 0.201 0.000 0.745 116 E HN 0.372 nan 8.360 nan 0.000 0.458 117 S N 0.071 115.865 115.700 0.157 0.000 2.535 117 S HA 0.054 4.525 4.470 0.002 0.000 0.214 117 S C 0.583 175.178 174.600 -0.009 0.000 0.980 117 S CA -0.232 57.996 58.200 0.046 0.000 0.907 117 S CB 0.128 63.353 63.200 0.041 0.000 0.790 117 S HN 0.208 nan 8.310 nan 0.000 0.510 118 N N 0.309 119.046 118.700 0.061 0.000 2.685 118 N HA 0.188 4.929 4.740 0.002 0.000 0.252 118 N C 0.001 175.605 175.510 0.157 0.000 1.261 118 N CA -0.153 52.917 53.050 0.033 0.000 0.768 118 N CB 0.404 38.886 38.487 -0.009 0.000 1.304 118 N HN 0.241 nan 8.380 nan 0.000 0.536 119 H N 0.334 119.468 119.070 0.107 0.000 2.521 119 H HA -0.049 4.508 4.556 0.002 0.000 0.286 119 H C 0.268 175.717 175.328 0.202 0.000 1.034 119 H CA 0.464 56.639 56.048 0.212 0.000 1.278 119 H CB 0.520 30.406 29.762 0.206 0.000 1.386 119 H HN 0.532 nan 8.280 nan 0.000 0.567 120 D N 1.291 121.838 120.400 0.245 0.000 2.336 120 D HA -0.031 4.610 4.640 0.002 0.000 0.229 120 D C 1.850 178.300 176.300 0.249 0.000 1.061 120 D CA 0.329 54.478 54.000 0.248 0.000 0.875 120 D CB 0.204 41.087 40.800 0.139 0.000 0.904 120 D HN 0.653 nan 8.370 nan 0.000 0.525 121 I N -3.075 117.493 120.570 -0.003 0.000 3.251 121 I HA 0.050 4.221 4.170 0.002 0.000 0.277 121 I C 0.034 175.979 176.117 -0.287 0.000 1.268 121 I CA 0.262 61.451 61.300 -0.185 0.000 1.449 121 I CB -0.128 37.686 38.000 -0.309 0.000 1.083 121 I HN -0.335 nan 8.210 nan 0.000 0.464 122 F N 0.333 120.362 119.950 0.130 0.000 2.432 122 F HA 0.483 5.011 4.527 0.001 0.000 0.329 122 F C 0.153 176.044 175.800 0.151 0.000 1.076 122 F CA -1.059 57.002 58.000 0.102 0.000 1.018 122 F CB 0.142 39.222 39.000 0.134 0.000 1.201 122 F HN -0.232 nan 8.300 nan 0.000 0.489 123 Y N 0.681 121.237 120.300 0.426 0.000 2.597 123 Y HA 0.270 4.820 4.550 0.001 0.000 0.336 123 Y C 0.613 176.714 175.900 0.336 0.000 1.216 123 Y CA 0.137 58.451 58.100 0.356 0.000 1.463 123 Y CB 0.251 38.908 38.460 0.329 0.000 1.303 123 Y HN 0.430 nan 8.280 nan 0.000 0.576 124 T N 4.667 119.542 114.554 0.536 0.000 2.916 124 T HA 0.276 4.627 4.350 0.002 0.000 0.298 124 T C -0.500 174.449 174.700 0.415 0.000 1.031 124 T CA -1.248 61.099 62.100 0.410 0.000 0.993 124 T CB 1.039 70.130 68.868 0.371 0.000 1.045 124 T HN 0.615 nan 8.240 nan 0.000 0.454 125 N N 1.585 120.446 118.700 0.269 0.000 2.447 125 N HA 0.269 5.010 4.740 0.002 0.000 0.271 125 N C 1.045 176.426 175.510 -0.214 0.000 1.226 125 N CA -0.959 52.171 53.050 0.133 0.000 0.980 125 N CB 0.821 39.364 38.487 0.092 0.000 1.206 125 N HN 0.532 nan 8.380 nan 0.000 0.558 126 R N -0.315 119.748 120.500 -0.729 0.000 2.105 126 R HA -0.035 4.306 4.340 0.002 0.000 0.239 126 R C 1.226 177.281 176.300 -0.408 0.000 1.135 126 R CA 1.477 56.952 56.100 -1.042 0.000 0.967 126 R CB -0.233 29.486 30.300 -0.968 0.000 0.861 126 R HN 0.652 nan 8.270 nan 0.000 0.442 127 S N -0.950 114.610 115.700 -0.233 0.000 2.555 127 S HA 0.061 4.532 4.470 0.002 0.000 0.230 127 S C 1.029 175.609 174.600 -0.033 0.000 0.978 127 S CA 0.813 58.951 58.200 -0.103 0.000 0.934 127 S CB 0.591 63.758 63.200 -0.054 0.000 0.766 127 S HN 0.716 nan 8.310 nan 0.000 0.533 128 G N 1.217 110.009 108.800 -0.013 0.000 2.141 128 G HA2 -0.230 3.731 3.960 0.002 0.000 0.242 128 G HA3 -0.230 3.731 3.960 0.002 0.000 0.242 128 G C 0.109 175.065 174.900 0.094 0.000 0.982 128 G CA 0.168 45.304 45.100 0.061 0.000 0.662 128 G HN 0.455 nan 8.290 nan 0.000 0.527 129 T N 2.351 116.962 114.554 0.095 0.000 2.869 129 T HA 0.538 4.889 4.350 0.002 0.000 0.295 129 T C 0.533 175.311 174.700 0.131 0.000 0.987 129 T CA -0.253 61.907 62.100 0.099 0.000 1.109 129 T CB 0.935 69.868 68.868 0.109 0.000 0.932 129 T HN 0.287 nan 8.240 nan 0.000 0.518 130 R N 3.375 123.927 120.500 0.088 0.000 2.312 130 R HA 0.333 4.674 4.340 0.002 0.000 0.311 130 R C -0.121 176.183 176.300 0.006 0.000 1.004 130 R CA -0.717 55.448 56.100 0.108 0.000 0.902 130 R CB 0.557 30.908 30.300 0.085 0.000 1.073 130 R HN 0.485 nan 8.270 nan 0.000 0.457 131 N N 2.501 121.260 118.700 0.098 0.000 2.457 131 N HA 0.083 4.824 4.740 0.002 0.000 0.250 131 N C -0.233 175.232 175.510 -0.075 0.000 0.982 131 N CA -0.161 52.917 53.050 0.047 0.000 0.941 131 N CB 0.886 39.488 38.487 0.191 0.000 1.120 131 N HN 0.398 nan 8.380 nan 0.000 0.505 132 K N 1.993 122.184 120.400 -0.349 0.000 2.504 132 K HA 0.010 4.331 4.320 0.002 0.000 0.199 132 K C 1.057 177.628 176.600 -0.049 0.000 1.028 132 K CA 0.090 56.020 56.287 -0.595 0.000 1.164 132 K CB 0.374 32.409 32.500 -0.775 0.000 0.877 132 K HN 0.651 nan 8.250 nan 0.000 0.508 133 E N -0.090 120.180 120.200 0.117 0.000 2.371 133 E HA -0.093 4.258 4.350 0.002 0.000 0.194 133 E C -0.136 176.727 176.600 0.438 0.000 1.012 133 E CA 0.392 56.926 56.400 0.224 0.000 0.860 133 E CB 0.114 29.928 29.700 0.189 0.000 0.811 133 E HN 0.216 nan 8.360 nan 0.000 0.502 134 Y N -0.147 120.343 120.300 0.317 0.000 2.641 134 Y HA 0.338 4.889 4.550 0.001 0.000 0.333 134 Y C -1.719 174.346 175.900 0.276 0.000 1.174 134 Y CA -1.166 57.137 58.100 0.337 0.000 1.057 134 Y CB 1.278 39.933 38.460 0.325 0.000 1.322 134 Y HN -0.127 nan 8.280 nan 0.000 0.457 135 L N 3.776 124.733 121.223 -0.442 0.000 2.319 135 L HA 0.300 4.641 4.340 0.002 0.000 0.280 135 L C 0.669 177.229 176.870 -0.516 0.000 1.099 135 L CA -0.450 54.157 54.840 -0.389 0.000 0.828 135 L CB 1.209 43.005 42.059 -0.438 0.000 1.150 135 L HN 0.756 nan 8.230 nan 0.000 0.442 136 T N 1.536 115.755 114.554 -0.559 0.000 2.937 136 T HA -0.046 4.305 4.350 0.002 0.000 0.316 136 T C 1.144 175.596 174.700 -0.414 0.000 1.079 136 T CA -0.018 61.541 62.100 -0.902 0.000 1.131 136 T CB 0.968 69.566 68.868 -0.449 0.000 1.000 136 T HN 0.466 nan 8.240 nan 0.000 0.549 137 V N 4.656 124.383 119.914 -0.312 0.000 2.867 137 V HA 0.059 4.180 4.120 0.002 0.000 0.260 137 V C 2.242 178.313 176.094 -0.039 0.000 1.099 137 V CA 2.517 64.722 62.300 -0.158 0.000 1.122 137 V CB -1.178 30.495 31.823 -0.250 0.000 0.708 137 V HN 1.071 nan 8.190 nan 0.000 0.490 138 G N 0.042 108.835 108.800 -0.012 0.000 2.470 138 G HA2 -0.160 3.801 3.960 0.002 0.000 0.220 138 G HA3 -0.160 3.801 3.960 0.002 0.000 0.220 138 G C 1.278 176.104 174.900 -0.123 0.000 1.121 138 G CA 1.314 46.452 45.100 0.063 0.000 0.766 138 G HN 1.087 nan 8.290 nan 0.000 0.553 139 V N -2.778 117.005 119.914 -0.217 0.000 3.121 139 V HA 0.297 4.418 4.120 0.002 0.000 0.344 139 V C 1.146 177.169 176.094 -0.119 0.000 1.390 139 V CA 0.115 62.229 62.300 -0.310 0.000 1.177 139 V CB 0.402 32.028 31.823 -0.329 0.000 1.163 139 V HN -0.081 nan 8.190 nan 0.000 0.484 140 D N 2.778 123.140 120.400 -0.062 0.000 2.123 140 D HA -0.138 4.503 4.640 0.002 0.000 0.196 140 D C 1.200 177.469 176.300 -0.052 0.000 0.992 140 D CA 2.103 56.089 54.000 -0.024 0.000 0.833 140 D CB -0.136 40.711 40.800 0.077 0.000 0.954 140 D HN 0.714 nan 8.370 nan 0.000 0.455 141 N N 0.177 118.852 118.700 -0.042 0.000 2.338 141 N HA 0.067 4.808 4.740 0.002 0.000 0.251 141 N C -0.768 174.711 175.510 -0.052 0.000 1.199 141 N CA -0.147 52.882 53.050 -0.034 0.000 0.879 141 N CB 0.935 39.418 38.487 -0.006 0.000 1.159 141 N HN -0.080 nan 8.380 nan 0.000 0.514 142 E N 1.751 121.890 120.200 -0.102 0.000 2.109 142 E HA 0.160 4.511 4.350 0.002 0.000 0.278 142 E C -2.287 174.230 176.600 -0.138 0.000 0.954 142 E CA -2.034 54.275 56.400 -0.152 0.000 0.779 142 E CB 1.586 31.080 29.700 -0.343 0.000 1.093 142 E HN 0.124 nan 8.360 nan 0.000 0.401 143 P HA 0.111 nan 4.420 nan 0.000 0.226 143 P C 0.611 177.825 177.300 -0.143 0.000 1.783 143 P CA 0.164 63.224 63.100 -0.067 0.000 0.980 143 P CB -0.644 31.041 31.700 -0.025 0.000 1.967 144 I N -4.486 115.874 120.570 -0.350 0.000 3.976 144 I HA 0.324 4.495 4.170 0.002 0.000 0.337 144 I C -0.402 175.308 176.117 -0.679 0.000 1.359 144 I CA -0.412 60.583 61.300 -0.509 0.000 1.098 144 I CB -0.195 37.422 38.000 -0.639 0.000 1.027 144 I HN -0.249 nan 8.210 nan 0.000 0.394 145 F N 3.605 123.514 119.950 -0.068 0.000 2.344 145 F HA 0.456 4.984 4.527 0.001 0.000 0.344 145 F C 0.362 176.180 175.800 0.030 0.000 1.140 145 F CA -0.866 57.106 58.000 -0.047 0.000 1.256 145 F CB -0.610 38.423 39.000 0.056 0.000 1.573 145 F HN 0.138 nan 8.300 nan 0.000 0.547 146 H N 0.891 120.065 119.070 0.172 0.000 2.655 146 H HA -0.197 4.360 4.556 0.001 0.000 0.313 146 H C 1.520 176.885 175.328 0.062 0.000 1.141 146 H CA 0.758 56.861 56.048 0.092 0.000 1.138 146 H CB -1.247 28.552 29.762 0.062 0.000 1.446 146 H HN 0.906 nan 8.280 nan 0.000 0.415 147 G N -0.950 107.924 108.800 0.124 0.000 2.279 147 G HA2 -0.294 3.667 3.960 0.002 0.000 0.223 147 G HA3 -0.294 3.667 3.960 0.002 0.000 0.223 147 G C 0.530 175.477 174.900 0.079 0.000 1.015 147 G CA 0.199 45.347 45.100 0.080 0.000 0.621 147 G HN 0.562 nan 8.290 nan 0.000 0.506 148 R N 1.404 121.985 120.500 0.136 0.000 2.536 148 R HA 0.587 4.928 4.340 0.002 0.000 0.279 148 R C 0.838 177.239 176.300 0.168 0.000 1.001 148 R CA 0.176 56.355 56.100 0.132 0.000 1.027 148 R CB 0.958 31.350 30.300 0.154 0.000 1.096 148 R HN 0.399 nan 8.270 nan 0.000 0.502 149 T N -1.710 112.893 114.554 0.082 0.000 2.824 149 T HA 0.303 4.654 4.350 0.002 0.000 0.277 149 T C 1.332 176.020 174.700 -0.019 0.000 0.975 149 T CA -0.359 61.782 62.100 0.069 0.000 0.966 149 T CB 1.448 70.302 68.868 -0.025 0.000 1.054 149 T HN 0.594 nan 8.240 nan 0.000 0.533 150 A N 0.383 123.123 122.820 -0.132 0.000 1.902 150 A HA 0.060 4.381 4.320 0.002 0.000 0.217 150 A C 2.320 179.297 177.584 -1.012 0.000 1.181 150 A CA 1.107 52.733 52.037 -0.684 0.000 0.623 150 A CB -1.060 17.578 19.000 -0.604 0.000 0.818 150 A HN 0.866 nan 8.150 nan 0.000 0.443 151 I N -0.388 119.872 120.570 -0.517 0.000 2.286 151 I HA -0.254 3.917 4.170 0.002 0.000 0.248 151 I C 2.401 178.344 176.117 -0.290 0.000 1.115 151 I CA 1.497 62.586 61.300 -0.351 0.000 1.392 151 I CB -0.469 37.456 38.000 -0.125 0.000 1.065 151 I HN 0.464 nan 8.210 nan 0.000 0.418 152 E N 0.896 120.967 120.200 -0.216 0.000 2.106 152 E HA -0.183 4.168 4.350 0.002 0.000 0.192 152 E C 2.280 178.808 176.600 -0.118 0.000 0.984 152 E CA 1.085 57.421 56.400 -0.106 0.000 0.806 152 E CB -0.009 29.671 29.700 -0.033 0.000 0.750 152 E HN 0.500 nan 8.360 nan 0.000 0.458 153 I N 0.508 120.912 120.570 -0.277 0.000 2.142 153 I HA -0.303 3.868 4.170 0.002 0.000 0.240 153 I C 2.097 178.061 176.117 -0.255 0.000 1.078 153 I CA 1.223 62.381 61.300 -0.235 0.000 1.343 153 I CB -0.377 37.323 38.000 -0.499 0.000 1.046 153 I HN 0.120 nan 8.210 nan 0.000 0.405 154 Y N 0.144 120.106 120.300 -0.563 0.000 2.224 154 Y HA -0.226 4.324 4.550 0.001 0.000 0.289 154 Y C 2.979 178.787 175.900 -0.154 0.000 1.146 154 Y CA 1.197 58.825 58.100 -0.786 0.000 1.182 154 Y CB -1.382 36.455 38.460 -1.040 0.000 0.983 154 Y HN 0.138 nan 8.280 nan 0.000 0.524 155 S N -0.248 115.468 115.700 0.027 0.000 2.355 155 S HA -0.157 4.314 4.470 0.002 0.000 0.222 155 S C 1.710 176.367 174.600 0.094 0.000 1.031 155 S CA 1.501 59.735 58.200 0.056 0.000 0.993 155 S CB -0.309 62.895 63.200 0.008 0.000 0.859 155 S HN 0.408 nan 8.310 nan 0.000 0.453 156 D N -0.268 120.212 120.400 0.134 0.000 2.144 156 D HA -0.071 4.570 4.640 0.002 0.000 0.200 156 D C 1.563 177.977 176.300 0.191 0.000 0.978 156 D CA 0.987 55.095 54.000 0.180 0.000 0.833 156 D CB -0.498 40.471 40.800 0.281 0.000 0.961 156 D HN 0.572 nan 8.370 nan 0.000 0.470 157 Y N 1.144 121.558 120.300 0.190 0.000 2.114 157 Y HA -0.208 4.343 4.550 0.001 0.000 0.284 157 Y C 2.445 178.457 175.900 0.187 0.000 1.143 157 Y CA 1.658 59.900 58.100 0.237 0.000 1.135 157 Y CB -0.199 38.569 38.460 0.514 0.000 0.980 157 Y HN -0.150 nan 8.280 nan 0.000 0.499 158 M N -0.111 119.718 119.600 0.382 0.000 2.159 158 M HA -0.244 4.237 4.480 0.002 0.000 0.263 158 M C 2.043 178.253 176.300 -0.150 0.000 1.063 158 M CA 1.827 57.225 55.300 0.165 0.000 1.110 158 M CB -0.312 32.386 32.600 0.162 0.000 1.374 158 M HN 0.180 nan 8.290 nan 0.000 0.411 159 K N -0.427 119.886 120.400 -0.144 0.000 2.057 159 K HA -0.106 4.215 4.320 0.002 0.000 0.206 159 K C 2.268 178.749 176.600 -0.199 0.000 1.050 159 K CA 1.558 57.721 56.287 -0.206 0.000 0.935 159 K CB -0.288 32.145 32.500 -0.113 0.000 0.715 159 K HN 0.172 nan 8.250 nan 0.000 0.439 160 S N 0.545 116.123 115.700 -0.203 0.000 2.382 160 S HA -0.154 4.317 4.470 0.002 0.000 0.228 160 S C 1.751 176.075 174.600 -0.460 0.000 1.027 160 S CA 0.880 58.929 58.200 -0.252 0.000 0.991 160 S CB -0.286 62.656 63.200 -0.430 0.000 0.823 160 S HN 0.334 nan 8.310 nan 0.000 0.469 161 F N 2.864 122.401 119.950 -0.689 0.000 2.102 161 F HA -0.008 4.520 4.527 0.001 0.000 0.298 161 F C 2.571 178.040 175.800 -0.550 0.000 1.105 161 F CA 1.852 59.227 58.000 -1.042 0.000 1.239 161 F CB -0.404 38.207 39.000 -0.648 0.000 0.991 161 F HN 0.103 nan 8.300 nan 0.000 0.474 162 R N 0.860 121.269 120.500 -0.152 0.000 2.081 162 R HA -0.178 4.163 4.340 0.002 0.000 0.235 162 R C 2.027 178.197 176.300 -0.217 0.000 1.131 162 R CA 2.178 58.220 56.100 -0.096 0.000 0.960 162 R CB -0.525 29.632 30.300 -0.238 0.000 0.856 162 R HN 0.440 nan 8.270 nan 0.000 0.436 163 E N -0.105 119.943 120.200 -0.254 0.000 2.047 163 E HA -0.090 4.261 4.350 0.002 0.000 0.191 163 E C 1.823 178.267 176.600 -0.259 0.000 0.987 163 E CA 1.040 57.317 56.400 -0.205 0.000 0.799 163 E CB -0.079 29.532 29.700 -0.149 0.000 0.752 163 E HN 0.412 nan 8.360 nan 0.000 0.449 164 N N -0.079 118.371 118.700 -0.416 0.000 2.459 164 N HA -0.047 4.694 4.740 0.002 0.000 0.181 164 N C 0.782 176.034 175.510 -0.430 0.000 1.046 164 N CA 0.738 53.532 53.050 -0.426 0.000 0.904 164 N CB 0.252 38.355 38.487 -0.641 0.000 0.964 164 N HN 0.170 nan 8.380 nan 0.000 0.444 165 M N 0.282 119.554 119.600 -0.547 0.000 2.576 165 M HA 0.134 4.615 4.480 0.002 0.000 0.322 165 M C 1.601 177.776 176.300 -0.209 0.000 1.184 165 M CA 0.051 55.124 55.300 -0.379 0.000 0.967 165 M CB -0.408 31.727 32.600 -0.775 0.000 1.372 165 M HN -0.024 nan 8.290 nan 0.000 0.509 166 S N 1.410 116.985 115.700 -0.208 0.000 2.387 166 S HA -0.203 4.268 4.470 0.002 0.000 0.230 166 S C 1.398 175.922 174.600 -0.128 0.000 1.035 166 S CA 1.917 60.039 58.200 -0.130 0.000 1.014 166 S CB -0.544 62.584 63.200 -0.119 0.000 0.836 166 S HN 0.577 nan 8.310 nan 0.000 0.466 167 D N 1.048 121.309 120.400 -0.231 0.000 2.149 167 D HA -0.105 4.536 4.640 0.002 0.000 0.201 167 D C 1.578 177.734 176.300 -0.241 0.000 0.972 167 D CA 0.767 54.598 54.000 -0.281 0.000 0.835 167 D CB -0.833 39.712 40.800 -0.425 0.000 0.966 167 D HN 0.483 nan 8.370 nan 0.000 0.476 168 F N 0.842 120.756 119.950 -0.061 0.000 2.234 168 F HA 0.108 4.636 4.527 0.001 0.000 0.299 168 F C 2.497 178.288 175.800 -0.016 0.000 1.087 168 F CA 0.463 58.442 58.000 -0.036 0.000 1.340 168 F CB -0.558 38.408 39.000 -0.056 0.000 1.031 168 F HN -0.088 nan 8.300 nan 0.000 0.500 169 L N -0.824 120.481 121.223 0.137 0.000 2.179 169 L HA -0.096 4.245 4.340 0.002 0.000 0.208 169 L C 2.512 179.424 176.870 0.069 0.000 1.096 169 L CA 0.804 55.706 54.840 0.103 0.000 0.779 169 L CB -0.462 41.656 42.059 0.098 0.000 0.922 169 L HN -0.030 nan 8.230 nan 0.000 0.443 170 E N 0.374 120.593 120.200 0.032 0.000 2.047 170 E HA -0.166 4.185 4.350 0.002 0.000 0.191 170 E C 2.359 178.976 176.600 0.029 0.000 0.987 170 E CA 1.615 58.023 56.400 0.014 0.000 0.799 170 E CB -0.086 29.600 29.700 -0.024 0.000 0.752 170 E HN 0.436 nan 8.360 nan 0.000 0.449 171 S N -1.014 114.710 115.700 0.041 0.000 2.507 171 S HA 0.032 4.503 4.470 0.002 0.000 0.235 171 S C 1.534 176.183 174.600 0.082 0.000 0.988 171 S CA 1.081 59.317 58.200 0.061 0.000 0.944 171 S CB -0.197 63.054 63.200 0.085 0.000 0.762 171 S HN 0.374 nan 8.310 nan 0.000 0.526 172 G N 0.665 109.518 108.800 0.089 0.000 2.136 172 G HA2 -0.260 3.701 3.960 0.002 0.000 0.242 172 G HA3 -0.260 3.701 3.960 0.002 0.000 0.242 172 G C 0.392 175.358 174.900 0.112 0.000 0.989 172 G CA 0.384 45.538 45.100 0.090 0.000 0.682 172 G HN 0.665 nan 8.290 nan 0.000 0.522 173 L N 0.252 121.557 121.223 0.138 0.000 2.027 173 L HA 0.378 4.719 4.340 0.002 0.000 0.206 173 L C 1.551 178.484 176.870 0.104 0.000 1.074 173 L CA 1.452 56.373 54.840 0.134 0.000 0.745 173 L CB -0.015 42.142 42.059 0.165 0.000 0.898 173 L HN 0.383 nan 8.230 nan 0.000 0.433 174 I N 1.263 121.892 120.570 0.098 0.000 2.337 174 I HA 0.072 4.243 4.170 0.002 0.000 0.291 174 I C 1.171 177.320 176.117 0.052 0.000 1.046 174 I CA -0.016 61.322 61.300 0.064 0.000 1.324 174 I CB 1.056 39.102 38.000 0.078 0.000 1.409 174 I HN 0.268 nan 8.210 nan 0.000 0.494 175 I N 1.878 122.473 120.570 0.042 0.000 3.645 175 I HA 0.291 4.462 4.170 0.002 0.000 0.300 175 I C -0.294 175.836 176.117 0.022 0.000 1.260 175 I CA 0.056 61.393 61.300 0.061 0.000 1.365 175 I CB 0.129 38.200 38.000 0.119 0.000 1.077 175 I HN 0.604 nan 8.210 nan 0.000 0.439 176 D N 0.342 120.713 120.400 -0.049 0.000 2.663 176 D HA 0.420 5.061 4.640 0.002 0.000 0.233 176 D C -1.096 175.094 176.300 -0.184 0.000 1.240 176 D CA -0.604 53.341 54.000 -0.092 0.000 0.774 176 D CB 1.475 42.256 40.800 -0.031 0.000 1.443 176 D HN -0.089 nan 8.370 nan 0.000 0.441 177 I N 1.166 121.579 120.570 -0.262 0.000 2.355 177 I HA 0.304 4.475 4.170 0.002 0.000 0.288 177 I C -0.161 175.818 176.117 -0.230 0.000 0.999 177 I CA -0.473 60.613 61.300 -0.357 0.000 1.163 177 I CB 1.114 38.710 38.000 -0.674 0.000 1.316 177 I HN 0.634 nan 8.210 nan 0.000 0.454 178 E N 6.304 126.383 120.200 -0.202 0.000 2.115 178 E HA 0.370 4.721 4.350 0.002 0.000 0.282 178 E C -1.125 175.385 176.600 -0.150 0.000 0.987 178 E CA -0.539 55.774 56.400 -0.145 0.000 0.797 178 E CB 1.329 30.954 29.700 -0.125 0.000 1.086 178 E HN 0.371 nan 8.360 nan 0.000 0.397 179 V N 4.508 124.359 119.914 -0.105 0.000 2.408 179 V HA 0.279 4.400 4.120 0.002 0.000 0.267 179 V C 0.967 177.016 176.094 -0.075 0.000 1.047 179 V CA -0.362 61.896 62.300 -0.071 0.000 0.937 179 V CB 1.013 32.814 31.823 -0.036 0.000 0.999 179 V HN 0.779 nan 8.190 nan 0.000 0.472 180 G N 4.248 113.004 108.800 -0.073 0.000 2.398 180 G HA2 0.423 4.384 3.960 0.002 0.000 0.246 180 G HA3 0.423 4.384 3.960 0.002 0.000 0.246 180 G C 0.176 175.064 174.900 -0.019 0.000 1.289 180 G CA -0.313 44.757 45.100 -0.050 0.000 0.869 180 G HN 0.759 nan 8.290 nan 0.000 0.543 181 L N 2.082 123.231 121.223 -0.122 0.000 3.229 181 L HA 0.447 4.788 4.340 0.002 0.000 0.286 181 L C 1.044 177.685 176.870 -0.382 0.000 1.239 181 L CA 0.240 55.031 54.840 -0.083 0.000 1.035 181 L CB 0.088 42.126 42.059 -0.036 0.000 1.408 181 L HN 0.869 nan 8.230 nan 0.000 0.593 182 G N -0.592 107.643 108.800 -0.941 0.000 2.360 182 G HA2 0.153 4.114 3.960 0.002 0.000 0.276 182 G HA3 0.153 4.114 3.960 0.002 0.000 0.276 182 G C -3.178 171.198 174.900 -0.873 0.000 1.256 182 G CA -0.719 43.474 45.100 -1.512 0.000 0.890 182 G HN -0.304 nan 8.290 nan 0.000 0.486 183 P HA 0.371 nan 4.420 nan 0.000 0.264 183 P C 0.623 177.722 177.300 -0.335 0.000 1.193 183 P CA 1.911 64.877 63.100 -0.225 0.000 0.763 183 P CB 1.142 32.731 31.700 -0.185 0.000 0.810 184 A N 3.815 126.443 122.820 -0.320 0.000 2.816 184 A HA -0.107 4.214 4.320 0.002 0.000 0.270 184 A C 1.609 178.745 177.584 -0.746 0.000 1.413 184 A CA 1.500 53.326 52.037 -0.351 0.000 0.866 184 A CB -2.434 16.506 19.000 -0.101 0.000 1.032 184 A HN 1.027 nan 8.150 nan 0.000 0.642 185 G N -2.078 105.931 108.800 -1.318 0.000 2.184 185 G HA2 -0.281 3.680 3.960 0.002 0.000 0.264 185 G HA3 -0.281 3.680 3.960 0.002 0.000 0.264 185 G C -0.139 174.552 174.900 -0.350 0.000 0.975 185 G CA 1.042 45.709 45.100 -0.722 0.000 0.642 185 G HN 1.338 nan 8.290 nan 0.000 0.536 186 E N -0.384 119.630 120.200 -0.310 0.000 2.313 186 E HA 0.511 4.862 4.350 0.002 0.000 0.272 186 E C -0.042 176.460 176.600 -0.163 0.000 1.038 186 E CA -1.030 55.277 56.400 -0.155 0.000 0.863 186 E CB 1.648 31.308 29.700 -0.067 0.000 1.060 186 E HN 0.164 nan 8.360 nan 0.000 0.402 187 L N 4.455 125.650 121.223 -0.047 0.000 2.462 187 L HA 0.147 4.488 4.340 0.002 0.000 0.283 187 L C -0.252 176.576 176.870 -0.070 0.000 1.166 187 L CA 0.780 55.595 54.840 -0.042 0.000 0.964 187 L CB -1.141 40.948 42.059 0.050 0.000 1.294 187 L HN 0.615 nan 8.230 nan 0.000 0.449 188 R N 2.093 122.423 120.500 -0.283 0.000 2.780 188 R HA 0.337 4.678 4.340 0.002 0.000 0.280 188 R C -1.613 174.353 176.300 -0.557 0.000 1.016 188 R CA -0.994 54.848 56.100 -0.430 0.000 0.854 188 R CB 0.365 30.491 30.300 -0.290 0.000 1.293 188 R HN 0.110 nan 8.270 nan 0.000 0.483 189 Y N 0.644 120.666 120.300 -0.463 0.000 2.320 189 Y HA 0.384 4.935 4.550 0.002 0.000 0.324 189 Y C -1.642 173.998 175.900 -0.435 0.000 1.190 189 Y CA -2.231 55.521 58.100 -0.580 0.000 1.215 189 Y CB 1.289 39.500 38.460 -0.415 0.000 1.221 189 Y HN 0.389 nan 8.280 nan 0.000 0.486 190 P HA 0.016 nan 4.420 nan 0.000 0.230 190 P C 0.151 177.363 177.300 -0.146 0.000 1.791 190 P CA 0.137 63.091 63.100 -0.243 0.000 1.020 190 P CB -0.111 31.517 31.700 -0.120 0.000 1.977 191 S N 0.260 115.894 115.700 -0.110 0.000 2.522 191 S HA -0.104 4.367 4.470 0.002 0.000 0.227 191 S C 0.717 175.355 174.600 0.064 0.000 0.986 191 S CA 0.118 58.350 58.200 0.054 0.000 0.929 191 S CB -0.987 62.262 63.200 0.082 0.000 0.769 191 S HN 0.424 nan 8.310 nan 0.000 0.529 192 Y N 0.163 120.270 120.300 -0.322 0.000 2.470 192 Y HA 0.614 5.165 4.550 0.002 0.000 0.352 192 Y C -3.177 172.392 175.900 -0.552 0.000 0.967 192 Y CA -3.771 53.829 58.100 -0.834 0.000 1.121 192 Y CB -0.138 37.266 38.460 -1.759 0.000 1.149 192 Y HN -0.009 nan 8.280 nan 0.000 0.641 193 P HA 0.023 nan 4.420 nan 0.000 0.276 193 P C 0.310 177.583 177.300 -0.046 0.000 1.253 193 P CA 0.113 63.076 63.100 -0.228 0.000 0.766 193 P CB 2.138 33.683 31.700 -0.258 0.000 0.845 194 Q N 3.503 123.349 119.800 0.075 0.000 2.119 194 Q HA -0.128 4.213 4.340 0.002 0.000 0.201 194 Q C 1.709 177.726 176.000 0.028 0.000 0.972 194 Q CA 2.153 58.039 55.803 0.137 0.000 0.847 194 Q CB -0.163 28.657 28.738 0.136 0.000 0.903 194 Q HN 0.559 nan 8.270 nan 0.000 0.433 195 S N -0.148 115.543 115.700 -0.015 0.000 2.440 195 S HA -0.159 4.312 4.470 0.002 0.000 0.238 195 S C 1.386 175.960 174.600 -0.044 0.000 1.010 195 S CA 1.110 59.292 58.200 -0.030 0.000 0.972 195 S CB -0.110 63.067 63.200 -0.038 0.000 0.774 195 S HN 0.465 nan 8.310 nan 0.000 0.501 196 Q N 0.326 120.069 119.800 -0.096 0.000 2.220 196 Q HA 0.382 4.723 4.340 0.002 0.000 0.205 196 Q C 1.152 177.104 176.000 -0.080 0.000 0.865 196 Q CA 0.214 55.951 55.803 -0.110 0.000 0.960 196 Q CB 0.594 29.198 28.738 -0.223 0.000 1.097 196 Q HN 0.758 nan 8.270 nan 0.000 0.493 197 G N 0.769 109.547 108.800 -0.035 0.000 2.194 197 G HA2 -0.263 3.698 3.960 0.002 0.000 0.236 197 G HA3 -0.263 3.698 3.960 0.002 0.000 0.236 197 G C -0.246 174.679 174.900 0.042 0.000 0.987 197 G CA -0.247 44.861 45.100 0.013 0.000 0.635 197 G HN 0.451 nan 8.290 nan 0.000 0.520 198 W N 2.222 123.432 121.300 -0.151 0.000 2.231 198 W HA 0.518 5.178 4.660 0.001 0.000 0.341 198 W C 0.269 176.793 176.519 0.007 0.000 1.298 198 W CA 0.768 58.086 57.345 -0.045 0.000 1.266 198 W CB 0.402 29.823 29.460 -0.066 0.000 1.172 198 W HN 0.235 nan 8.180 nan 0.000 0.568 199 E N 5.586 125.088 120.200 -1.164 0.000 2.290 199 E HA 0.128 4.479 4.350 0.002 0.000 0.274 199 E C -1.377 174.243 176.600 -1.633 0.000 0.889 199 E CA -1.245 54.472 56.400 -1.139 0.000 0.760 199 E CB 1.557 30.953 29.700 -0.506 0.000 1.206 199 E HN 0.316 nan 8.360 nan 0.000 0.419 200 F N 5.414 124.371 119.950 -1.655 0.000 2.607 200 F HA 0.100 4.628 4.527 0.002 0.000 0.374 200 F C -1.537 173.881 175.800 -0.636 0.000 1.104 200 F CA -0.951 56.369 58.000 -1.134 0.000 1.296 200 F CB 0.765 39.305 39.000 -0.767 0.000 1.085 200 F HN 0.253 nan 8.300 nan 0.000 0.584 201 P HA 0.224 nan 4.420 nan 0.000 0.228 201 P C -0.079 177.136 177.300 -0.142 0.000 1.873 201 P CA -0.212 62.080 63.100 -1.347 0.000 1.033 201 P CB 0.079 30.777 31.700 -1.670 0.000 1.707 202 G N 1.430 110.198 108.800 -0.053 0.000 2.474 202 G HA2 0.061 4.022 3.960 0.002 0.000 0.233 202 G HA3 0.061 4.022 3.960 0.002 0.000 0.233 202 G C 1.207 176.571 174.900 0.773 0.000 1.278 202 G CA -0.537 44.789 45.100 0.377 0.000 0.861 202 G HN 0.381 nan 8.290 nan 0.000 0.567 203 I N 0.309 121.110 120.570 0.385 0.000 2.756 203 I HA 0.271 4.442 4.170 0.002 0.000 0.262 203 I C 1.250 177.434 176.117 0.112 0.000 1.225 203 I CA 0.572 61.931 61.300 0.097 0.000 1.472 203 I CB -0.895 36.862 38.000 -0.405 0.000 1.094 203 I HN 0.962 nan 8.210 nan 0.000 0.454 204 G N 1.337 110.324 108.800 0.311 0.000 2.760 204 G HA2 -0.178 3.783 3.960 0.002 0.000 0.246 204 G HA3 -0.178 3.783 3.960 0.002 0.000 0.246 204 G C -0.791 174.091 174.900 -0.031 0.000 1.359 204 G CA -0.327 44.932 45.100 0.265 0.000 0.861 204 G HN 0.567 nan 8.290 nan 0.000 0.541 205 E N -1.185 118.965 120.200 -0.085 0.000 2.343 205 E HA 0.581 4.932 4.350 0.002 0.000 0.270 205 E C -0.751 175.743 176.600 -0.175 0.000 0.895 205 E CA -0.861 55.353 56.400 -0.311 0.000 0.767 205 E CB 1.490 30.825 29.700 -0.608 0.000 1.248 205 E HN 0.313 nan 8.360 nan 0.000 0.440 206 F N 1.474 121.387 119.950 -0.062 0.000 2.471 206 F HA 0.063 4.591 4.527 0.002 0.000 0.353 206 F C 1.231 177.106 175.800 0.125 0.000 1.113 206 F CA 0.101 58.060 58.000 -0.069 0.000 1.262 206 F CB 0.600 39.456 39.000 -0.240 0.000 1.146 206 F HN 0.195 nan 8.300 nan 0.000 0.578 207 Q N 2.649 122.644 119.800 0.326 0.000 2.324 207 Q HA 0.187 4.528 4.340 0.002 0.000 0.373 207 Q C -0.025 176.223 176.000 0.414 0.000 0.909 207 Q CA 0.038 56.057 55.803 0.360 0.000 1.135 207 Q CB 0.677 29.554 28.738 0.231 0.000 1.313 207 Q HN 0.773 nan 8.270 nan 0.000 0.417 208 C N -2.094 117.381 119.300 0.291 0.000 2.469 208 C HA 0.470 4.931 4.460 0.002 0.000 0.298 208 C C 0.665 175.620 174.990 -0.058 0.000 1.436 208 C CA -0.682 58.466 59.018 0.217 0.000 1.783 208 C CB -1.681 26.242 27.740 0.305 0.000 2.726 208 C HN 0.326 nan 8.230 nan 0.000 0.541 209 Y N 1.475 121.933 120.300 0.264 0.000 2.458 209 Y HA 0.179 4.730 4.550 0.001 0.000 0.256 209 Y C 1.069 177.088 175.900 0.197 0.000 1.159 209 Y CA -0.536 57.674 58.100 0.184 0.000 1.261 209 Y CB -0.274 38.254 38.460 0.113 0.000 1.119 209 Y HN 0.518 nan 8.280 nan 0.000 0.524 210 D N 0.417 121.028 120.400 0.353 0.000 2.378 210 D HA -0.036 4.605 4.640 0.002 0.000 0.238 210 D C 1.299 177.718 176.300 0.198 0.000 1.180 210 D CA -0.256 53.917 54.000 0.288 0.000 0.895 210 D CB 0.814 41.812 40.800 0.329 0.000 1.192 210 D HN 0.299 nan 8.370 nan 0.000 0.438 211 K N 0.448 120.885 120.400 0.062 0.000 2.113 211 K HA -0.310 4.011 4.320 0.002 0.000 0.208 211 K C 1.453 178.000 176.600 -0.088 0.000 1.047 211 K CA 1.233 57.475 56.287 -0.075 0.000 0.928 211 K CB -0.637 31.715 32.500 -0.247 0.000 0.716 211 K HN 0.531 nan 8.250 nan 0.000 0.446 212 Y N 1.630 122.005 120.300 0.125 0.000 2.145 212 Y HA -0.108 4.443 4.550 0.001 0.000 0.286 212 Y C 2.310 178.330 175.900 0.200 0.000 1.145 212 Y CA 1.232 59.409 58.100 0.129 0.000 1.148 212 Y CB -0.402 38.115 38.460 0.095 0.000 0.981 212 Y HN -0.065 nan 8.280 nan 0.000 0.507 213 L N -0.204 121.261 121.223 0.404 0.000 2.217 213 L HA -0.152 4.189 4.340 0.002 0.000 0.211 213 L C 2.433 179.567 176.870 0.440 0.000 1.107 213 L CA 1.115 56.251 54.840 0.494 0.000 0.783 213 L CB -0.394 41.981 42.059 0.528 0.000 0.919 213 L HN 0.167 nan 8.230 nan 0.000 0.442 214 K N 0.610 121.169 120.400 0.266 0.000 2.097 214 K HA -0.146 4.175 4.320 0.002 0.000 0.205 214 K C 2.098 178.801 176.600 0.171 0.000 1.050 214 K CA 1.232 57.621 56.287 0.172 0.000 0.938 214 K CB 0.021 32.593 32.500 0.120 0.000 0.718 214 K HN 0.260 nan 8.250 nan 0.000 0.442 215 A N 1.142 124.058 122.820 0.160 0.000 1.929 215 A HA -0.157 4.164 4.320 0.002 0.000 0.216 215 A C 1.908 179.592 177.584 0.167 0.000 1.176 215 A CA 1.581 53.693 52.037 0.125 0.000 0.628 215 A CB -0.467 18.591 19.000 0.096 0.000 0.816 215 A HN 0.454 nan 8.150 nan 0.000 0.444 216 D N -0.868 119.697 120.400 0.275 0.000 2.097 216 D HA -0.170 4.471 4.640 0.002 0.000 0.195 216 D C 1.728 178.213 176.300 0.307 0.000 0.989 216 D CA 1.358 55.576 54.000 0.363 0.000 0.827 216 D CB -0.263 40.870 40.800 0.556 0.000 0.966 216 D HN 0.330 nan 8.370 nan 0.000 0.456 217 F N 1.816 121.760 119.950 -0.011 0.000 2.134 217 F HA -0.071 4.457 4.527 0.002 0.000 0.299 217 F C 2.406 178.084 175.800 -0.204 0.000 1.097 217 F CA 1.535 59.208 58.000 -0.545 0.000 1.264 217 F CB -0.303 38.129 39.000 -0.947 0.000 1.001 217 F HN -0.140 nan 8.300 nan 0.000 0.479 218 K N 0.178 120.525 120.400 -0.090 0.000 2.103 218 K HA -0.164 4.157 4.320 0.002 0.000 0.207 218 K C 2.130 178.645 176.600 -0.141 0.000 1.048 218 K CA 1.287 57.496 56.287 -0.129 0.000 0.930 218 K CB -0.365 32.133 32.500 -0.005 0.000 0.716 218 K HN 0.325 nan 8.250 nan 0.000 0.444 219 A N 0.719 123.506 122.820 -0.056 0.000 1.929 219 A HA 0.031 4.352 4.320 0.002 0.000 0.216 219 A C 2.276 179.839 177.584 -0.036 0.000 1.176 219 A CA 1.410 53.434 52.037 -0.023 0.000 0.628 219 A CB -0.616 18.413 19.000 0.048 0.000 0.816 219 A HN 0.449 nan 8.150 nan 0.000 0.444 220 A N 0.160 122.961 122.820 -0.031 0.000 1.877 220 A HA -0.019 4.302 4.320 0.002 0.000 0.216 220 A C 2.310 179.880 177.584 -0.024 0.000 1.186 220 A CA 2.236 54.316 52.037 0.071 0.000 0.620 220 A CB -1.264 17.842 19.000 0.178 0.000 0.822 220 A HN 1.069 nan 8.150 nan 0.000 0.443 221 V N -2.215 117.499 119.914 -0.334 0.000 2.427 221 V HA -0.051 4.070 4.120 0.002 0.000 0.248 221 V C 2.570 178.436 176.094 -0.381 0.000 1.051 221 V CA 1.731 63.739 62.300 -0.485 0.000 1.048 221 V CB -1.621 29.860 31.823 -0.570 0.000 0.666 221 V HN 0.503 nan 8.190 nan 0.000 0.456 222 A N 0.858 123.517 122.820 -0.269 0.000 1.902 222 A HA -0.161 4.160 4.320 0.002 0.000 0.217 222 A C 2.437 179.908 177.584 -0.188 0.000 1.181 222 A CA 1.945 53.850 52.037 -0.220 0.000 0.623 222 A CB -0.582 18.329 19.000 -0.148 0.000 0.818 222 A HN 0.573 nan 8.150 nan 0.000 0.443 223 R N -0.588 119.839 120.500 -0.121 0.000 2.115 223 R HA -0.024 4.317 4.340 0.002 0.000 0.230 223 R C 2.059 178.304 176.300 -0.092 0.000 1.111 223 R CA 1.028 57.087 56.100 -0.068 0.000 0.976 223 R CB -0.379 29.928 30.300 0.012 0.000 0.870 223 R HN 0.478 nan 8.270 nan 0.000 0.445 224 A N 0.374 123.106 122.820 -0.147 0.000 2.235 224 A HA 0.185 4.506 4.320 0.002 0.000 0.208 224 A C 1.336 178.727 177.584 -0.323 0.000 1.172 224 A CA 0.723 52.653 52.037 -0.179 0.000 0.786 224 A CB -0.230 18.569 19.000 -0.335 0.000 0.804 224 A HN 0.452 nan 8.150 nan 0.000 0.479 225 G N -1.068 107.507 108.800 -0.375 0.000 2.160 225 G HA2 -0.228 3.733 3.960 0.002 0.000 0.251 225 G HA3 -0.228 3.733 3.960 0.002 0.000 0.251 225 G C 0.005 174.383 174.900 -0.870 0.000 1.008 225 G CA 0.420 45.214 45.100 -0.510 0.000 0.724 225 G HN 0.693 nan 8.290 nan 0.000 0.514 226 H N -0.396 118.255 119.070 -0.698 0.000 2.379 226 H HA 0.211 4.768 4.556 0.002 0.000 0.229 226 H C -1.743 173.157 175.328 -0.714 0.000 1.423 226 H CA -0.724 54.727 56.048 -0.994 0.000 1.375 226 H CB 1.514 29.967 29.762 -2.181 0.000 1.592 226 H HN 0.269 nan 8.280 nan 0.000 0.507 227 P HA -0.123 nan 4.420 nan 0.000 0.230 227 P C 1.217 178.433 177.300 -0.140 0.000 1.158 227 P CA 0.846 63.809 63.100 -0.228 0.000 0.769 227 P CB 0.448 32.038 31.700 -0.183 0.000 0.807 228 E N -1.375 118.736 120.200 -0.147 0.000 2.435 228 E HA -0.091 4.260 4.350 0.002 0.000 0.195 228 E C 0.122 176.813 176.600 0.152 0.000 1.029 228 E CA 0.089 56.481 56.400 -0.012 0.000 0.865 228 E CB -0.596 29.104 29.700 -0.000 0.000 0.833 228 E HN 0.166 nan 8.360 nan 0.000 0.510 229 W N 2.357 123.630 121.300 -0.046 0.000 2.238 229 W HA 0.311 4.972 4.660 0.002 0.000 0.321 229 W C 0.712 177.269 176.519 0.064 0.000 1.293 229 W CA -0.665 56.667 57.345 -0.021 0.000 1.204 229 W CB 0.406 29.817 29.460 -0.082 0.000 1.167 229 W HN -0.092 nan 8.180 nan 0.000 0.553 230 E N 1.763 122.157 120.200 0.323 0.000 2.320 230 E HA 0.405 4.756 4.350 0.002 0.000 0.264 230 E C -0.071 176.582 176.600 0.089 0.000 0.923 230 E CA -1.239 55.312 56.400 0.251 0.000 0.796 230 E CB 2.050 31.814 29.700 0.105 0.000 1.262 230 E HN 0.207 nan 8.360 nan 0.000 0.428 231 L N 1.649 122.775 121.223 -0.162 0.000 2.483 231 L HA 0.065 4.406 4.340 0.002 0.000 0.277 231 L C -1.910 174.629 176.870 -0.552 0.000 1.248 231 L CA -1.255 53.161 54.840 -0.708 0.000 0.825 231 L CB -0.410 41.214 42.059 -0.726 0.000 1.096 231 L HN 0.154 nan 8.230 nan 0.000 0.512 232 P HA -0.053 nan 4.420 nan 0.000 0.264 232 P C -0.475 176.644 177.300 -0.301 0.000 1.183 232 P CA 0.304 62.978 63.100 -0.711 0.000 0.763 232 P CB 0.372 31.273 31.700 -1.333 0.000 0.807 233 D N 1.097 121.374 120.400 -0.204 0.000 2.525 233 D HA -0.025 4.616 4.640 0.002 0.000 0.231 233 D C -0.275 175.967 176.300 -0.096 0.000 1.216 233 D CA 0.052 53.978 54.000 -0.124 0.000 0.813 233 D CB 0.214 40.965 40.800 -0.081 0.000 1.108 233 D HN 0.341 nan 8.370 nan 0.000 0.524 234 D N 0.835 121.188 120.400 -0.078 0.000 2.788 234 D HA 0.288 4.929 4.640 0.002 0.000 0.289 234 D C 0.838 177.143 176.300 0.008 0.000 1.340 234 D CA -0.537 53.450 54.000 -0.021 0.000 0.831 234 D CB 0.572 41.380 40.800 0.014 0.000 1.103 234 D HN 0.117 nan 8.370 nan 0.000 0.476 235 A N 0.008 122.789 122.820 -0.064 0.000 2.238 235 A HA 0.612 4.933 4.320 0.002 0.000 0.210 235 A C 1.462 179.064 177.584 0.030 0.000 1.179 235 A CA 0.513 52.535 52.037 -0.025 0.000 0.827 235 A CB -0.326 18.603 19.000 -0.117 0.000 0.856 235 A HN 0.685 nan 8.150 nan 0.000 0.488 236 G N -0.515 108.270 108.800 -0.026 0.000 2.542 236 G HA2 -0.189 3.772 3.960 0.002 0.000 0.235 236 G HA3 -0.189 3.772 3.960 0.002 0.000 0.235 236 G C -0.246 174.595 174.900 -0.099 0.000 1.286 236 G CA 0.162 45.239 45.100 -0.038 0.000 0.904 236 G HN 0.598 nan 8.290 nan 0.000 0.577 237 K N -1.588 118.759 120.400 -0.088 0.000 2.409 237 K HA 0.594 4.915 4.320 0.002 0.000 0.252 237 K C 0.953 177.518 176.600 -0.057 0.000 1.036 237 K CA -0.859 55.337 56.287 -0.152 0.000 0.871 237 K CB 1.330 33.779 32.500 -0.085 0.000 1.374 237 K HN 0.383 nan 8.250 nan 0.000 0.459 238 Y N 0.753 121.118 120.300 0.108 0.000 2.073 238 Y HA -0.340 4.212 4.550 0.002 0.000 0.270 238 Y C 1.364 177.435 175.900 0.284 0.000 1.226 238 Y CA 2.074 60.326 58.100 0.254 0.000 1.117 238 Y CB -0.548 38.104 38.460 0.320 0.000 0.939 238 Y HN 0.600 nan 8.280 nan 0.000 0.504 239 N N -0.510 118.356 118.700 0.276 0.000 2.270 239 N HA -0.015 4.726 4.740 0.002 0.000 0.198 239 N C -0.171 175.378 175.510 0.064 0.000 1.117 239 N CA -0.296 52.821 53.050 0.113 0.000 0.845 239 N CB 0.197 38.693 38.487 0.014 0.000 0.980 239 N HN 0.259 nan 8.380 nan 0.000 0.486 240 D N 1.126 121.556 120.400 0.050 0.000 2.369 240 D HA 0.053 4.694 4.640 0.002 0.000 0.241 240 D C 0.290 176.560 176.300 -0.050 0.000 1.271 240 D CA 0.264 54.260 54.000 -0.006 0.000 0.942 240 D CB 1.419 42.203 40.800 -0.028 0.000 1.129 240 D HN -0.136 nan 8.370 nan 0.000 0.476 241 V N -1.777 118.068 119.914 -0.115 0.000 2.715 241 V HA 0.321 4.442 4.120 0.002 0.000 0.310 241 V C -1.739 174.106 176.094 -0.414 0.000 1.054 241 V CA -1.480 60.639 62.300 -0.302 0.000 0.928 241 V CB 1.635 33.387 31.823 -0.119 0.000 1.007 241 V HN 0.349 nan 8.190 nan 0.000 0.437 242 P HA -0.239 nan 4.420 nan 0.000 0.214 242 P C 1.136 178.329 177.300 -0.178 0.000 1.172 242 P CA 1.871 64.693 63.100 -0.463 0.000 0.925 242 P CB 0.192 31.505 31.700 -0.645 0.000 0.793 243 E N -0.003 120.096 120.200 -0.168 0.000 2.396 243 E HA -0.090 4.261 4.350 0.002 0.000 0.200 243 E C 1.808 178.387 176.600 -0.035 0.000 1.023 243 E CA 1.225 57.588 56.400 -0.062 0.000 0.857 243 E CB -0.729 28.947 29.700 -0.039 0.000 0.775 243 E HN 0.453 nan 8.360 nan 0.000 0.525 244 S N -0.303 115.367 115.700 -0.050 0.000 2.634 244 S HA 0.052 4.523 4.470 0.002 0.000 0.221 244 S C 0.753 175.350 174.600 -0.005 0.000 0.952 244 S CA -0.146 58.040 58.200 -0.024 0.000 0.930 244 S CB -0.255 62.928 63.200 -0.028 0.000 0.780 244 S HN 0.141 nan 8.310 nan 0.000 0.498 245 T N -3.467 111.096 114.554 0.016 0.000 2.916 245 T HA 0.714 5.065 4.350 0.002 0.000 0.292 245 T C 1.106 175.838 174.700 0.053 0.000 1.055 245 T CA -0.260 61.870 62.100 0.051 0.000 1.009 245 T CB 1.338 70.284 68.868 0.129 0.000 1.118 245 T HN 0.040 nan 8.240 nan 0.000 0.497 246 G N -0.196 108.632 108.800 0.046 0.000 2.464 246 G HA2 0.027 3.988 3.960 0.002 0.000 0.217 246 G HA3 0.027 3.988 3.960 0.002 0.000 0.217 246 G C 0.911 175.825 174.900 0.022 0.000 1.138 246 G CA -0.071 45.045 45.100 0.027 0.000 0.793 246 G HN 0.654 nan 8.290 nan 0.000 0.539 247 F N 0.371 120.233 119.950 -0.147 0.000 2.149 247 F HA 0.222 4.750 4.527 0.002 0.000 0.294 247 F C 1.720 177.301 175.800 -0.366 0.000 1.095 247 F CA 0.932 58.745 58.000 -0.312 0.000 1.276 247 F CB 0.191 38.870 39.000 -0.534 0.000 1.023 247 F HN 0.100 nan 8.300 nan 0.000 0.480 248 F N 0.698 120.699 119.950 0.086 0.000 2.727 248 F HA 0.156 4.684 4.527 0.002 0.000 0.302 248 F C 1.098 176.786 175.800 -0.186 0.000 1.097 248 F CA -0.321 57.561 58.000 -0.197 0.000 1.330 248 F CB -0.750 38.118 39.000 -0.220 0.000 1.084 248 F HN -0.201 nan 8.300 nan 0.000 0.578 249 K N 0.121 120.567 120.400 0.077 0.000 2.132 249 K HA 0.210 4.531 4.320 0.002 0.000 0.240 249 K C 0.658 177.332 176.600 0.124 0.000 1.036 249 K CA -0.457 55.866 56.287 0.060 0.000 0.888 249 K CB 0.527 33.047 32.500 0.034 0.000 1.071 249 K HN -0.073 nan 8.250 nan 0.000 0.502 250 S N 1.330 117.087 115.700 0.095 0.000 2.563 250 S HA -0.073 4.398 4.470 0.002 0.000 0.294 250 S C -0.091 174.557 174.600 0.079 0.000 1.279 250 S CA 0.224 58.488 58.200 0.107 0.000 1.069 250 S CB -0.783 62.453 63.200 0.061 0.000 0.828 250 S HN 0.821 nan 8.310 nan 0.000 0.497 251 N N 1.928 120.666 118.700 0.063 0.000 2.721 251 N HA -0.146 4.595 4.740 0.002 0.000 0.249 251 N C 0.308 175.797 175.510 -0.035 0.000 1.072 251 N CA 1.074 54.109 53.050 -0.026 0.000 0.710 251 N CB -1.772 36.699 38.487 -0.026 0.000 0.993 251 N HN 0.734 nan 8.380 nan 0.000 0.547 252 G N -0.457 108.361 108.800 0.030 0.000 2.535 252 G HA2 0.287 4.248 3.960 0.002 0.000 0.282 252 G HA3 0.287 4.248 3.960 0.002 0.000 0.282 252 G C 1.086 175.890 174.900 -0.161 0.000 1.350 252 G CA 0.395 45.487 45.100 -0.014 0.000 1.039 252 G HN 0.120 nan 8.290 nan 0.000 0.509 253 T N -0.159 114.234 114.554 -0.270 0.000 2.803 253 T HA -0.224 4.127 4.350 0.002 0.000 0.269 253 T C 1.993 176.283 174.700 -0.685 0.000 1.052 253 T CA 2.131 63.971 62.100 -0.434 0.000 1.136 253 T CB -0.444 68.196 68.868 -0.381 0.000 0.864 253 T HN 0.614 nan 8.240 nan 0.000 0.467 254 Y N 2.009 121.631 120.300 -1.130 0.000 2.569 254 Y HA 0.038 4.589 4.550 0.002 0.000 0.293 254 Y C 1.877 177.559 175.900 -0.362 0.000 1.144 254 Y CA 0.143 57.676 58.100 -0.946 0.000 1.321 254 Y CB -0.972 37.023 38.460 -0.774 0.000 0.982 254 Y HN 0.187 nan 8.280 nan 0.000 0.558 255 V N -1.462 117.991 119.914 -0.767 0.000 3.621 255 V HA 0.245 4.366 4.120 0.002 0.000 0.285 255 V C 0.737 176.638 176.094 -0.322 0.000 1.346 255 V CA 0.166 62.103 62.300 -0.605 0.000 1.104 255 V CB -1.317 30.129 31.823 -0.629 0.000 0.913 255 V HN 0.472 nan 8.190 nan 0.000 0.432 256 T N -3.141 111.234 114.554 -0.297 0.000 2.874 256 T HA 0.310 4.661 4.350 0.002 0.000 0.281 256 T C 0.953 175.539 174.700 -0.191 0.000 0.994 256 T CA 0.374 62.343 62.100 -0.219 0.000 1.015 256 T CB 1.871 70.598 68.868 -0.235 0.000 1.028 256 T HN 0.401 nan 8.240 nan 0.000 0.523 257 E N 0.469 120.580 120.200 -0.148 0.000 2.085 257 E HA -0.241 4.110 4.350 0.002 0.000 0.194 257 E C 2.002 178.414 176.600 -0.314 0.000 0.994 257 E CA 1.379 57.718 56.400 -0.102 0.000 0.801 257 E CB -0.075 29.629 29.700 0.007 0.000 0.743 257 E HN 0.764 nan 8.360 nan 0.000 0.453 258 K N -0.309 119.706 120.400 -0.643 0.000 2.057 258 K HA -0.110 4.211 4.320 0.002 0.000 0.206 258 K C 2.133 178.432 176.600 -0.502 0.000 1.050 258 K CA 1.400 56.956 56.287 -1.218 0.000 0.935 258 K CB -0.364 31.360 32.500 -1.294 0.000 0.715 258 K HN 0.189 nan 8.250 nan 0.000 0.439 259 G N 1.491 110.102 108.800 -0.315 0.000 2.421 259 G HA2 -0.250 3.711 3.960 0.002 0.000 0.216 259 G HA3 -0.250 3.711 3.960 0.002 0.000 0.216 259 G C 1.302 176.209 174.900 0.011 0.000 1.171 259 G CA 0.837 45.847 45.100 -0.149 0.000 0.775 259 G HN 0.310 nan 8.290 nan 0.000 0.543 260 K N -0.594 119.803 120.400 -0.005 0.000 2.209 260 K HA -0.025 4.296 4.320 0.002 0.000 0.204 260 K C 2.128 178.841 176.600 0.188 0.000 1.048 260 K CA 0.918 57.285 56.287 0.133 0.000 0.940 260 K CB -0.233 32.351 32.500 0.141 0.000 0.729 260 K HN 0.385 nan 8.250 nan 0.000 0.451 261 F N 0.904 120.874 119.950 0.034 0.000 2.128 261 F HA -0.161 4.367 4.527 0.002 0.000 0.295 261 F C 2.044 177.991 175.800 0.245 0.000 1.100 261 F CA 0.958 59.045 58.000 0.145 0.000 1.260 261 F CB -0.246 38.832 39.000 0.129 0.000 1.009 261 F HN -0.054 nan 8.300 nan 0.000 0.476 262 F N 1.102 121.220 119.950 0.279 0.000 2.069 262 F HA -0.216 4.312 4.527 0.001 0.000 0.298 262 F C 1.845 177.698 175.800 0.088 0.000 1.113 262 F CA 1.932 60.054 58.000 0.204 0.000 1.214 262 F CB -0.877 38.054 39.000 -0.115 0.000 0.978 262 F HN -0.038 nan 8.300 nan 0.000 0.474 263 L N -0.296 120.717 121.223 -0.350 0.000 2.079 263 L HA -0.236 4.105 4.340 0.002 0.000 0.210 263 L C 2.325 178.925 176.870 -0.450 0.000 1.081 263 L CA 1.797 56.240 54.840 -0.662 0.000 0.752 263 L CB -1.202 40.255 42.059 -1.003 0.000 0.896 263 L HN 0.220 nan 8.230 nan 0.000 0.433 264 T N -1.543 112.927 114.554 -0.140 0.000 2.812 264 T HA -0.215 4.136 4.350 0.002 0.000 0.264 264 T C 1.344 176.017 174.700 -0.046 0.000 1.042 264 T CA 1.257 63.393 62.100 0.061 0.000 1.140 264 T CB -0.324 68.591 68.868 0.078 0.000 0.870 264 T HN 0.535 nan 8.240 nan 0.000 0.445 265 W N 0.886 122.000 121.300 -0.309 0.000 2.358 265 W HA -0.173 4.488 4.660 0.002 0.000 0.303 265 W C 2.030 178.466 176.519 -0.138 0.000 1.208 265 W CA 0.724 57.939 57.345 -0.217 0.000 1.274 265 W CB -0.587 28.802 29.460 -0.119 0.000 1.138 265 W HN 0.249 nan 8.180 nan 0.000 0.515 266 Y N 1.900 121.906 120.300 -0.491 0.000 2.145 266 Y HA -0.261 4.290 4.550 0.002 0.000 0.286 266 Y C 2.894 178.564 175.900 -0.384 0.000 1.145 266 Y CA 2.941 60.599 58.100 -0.737 0.000 1.148 266 Y CB -0.908 36.948 38.460 -1.007 0.000 0.981 266 Y HN 0.061 nan 8.280 nan 0.000 0.507 267 S N -0.894 114.690 115.700 -0.193 0.000 2.428 267 S HA -0.145 4.326 4.470 0.002 0.000 0.230 267 S C 1.716 176.236 174.600 -0.133 0.000 1.014 267 S CA 1.132 59.264 58.200 -0.113 0.000 0.957 267 S CB -0.778 62.462 63.200 0.067 0.000 0.784 267 S HN 0.598 nan 8.310 nan 0.000 0.499 268 N N 1.373 119.977 118.700 -0.160 0.000 2.244 268 N HA -0.030 4.711 4.740 0.002 0.000 0.183 268 N C 1.495 176.897 175.510 -0.181 0.000 1.016 268 N CA 0.779 53.749 53.050 -0.134 0.000 0.866 268 N CB -0.021 38.397 38.487 -0.114 0.000 0.980 268 N HN 0.250 nan 8.380 nan 0.000 0.430 269 K N 1.246 121.453 120.400 -0.322 0.000 2.103 269 K HA -0.101 4.220 4.320 0.002 0.000 0.207 269 K C 1.966 178.450 176.600 -0.192 0.000 1.048 269 K CA 0.784 56.894 56.287 -0.294 0.000 0.930 269 K CB -0.460 31.781 32.500 -0.431 0.000 0.716 269 K HN 0.314 nan 8.250 nan 0.000 0.444 270 L N 0.366 121.449 121.223 -0.232 0.000 2.072 270 L HA -0.110 4.231 4.340 0.002 0.000 0.205 270 L C 2.465 179.317 176.870 -0.031 0.000 1.079 270 L CA 0.675 55.410 54.840 -0.173 0.000 0.752 270 L CB -0.473 41.440 42.059 -0.244 0.000 0.906 270 L HN 0.072 nan 8.230 nan 0.000 0.436 271 L N -0.099 121.102 121.223 -0.036 0.000 2.012 271 L HA -0.249 4.092 4.340 0.002 0.000 0.210 271 L C 2.391 179.268 176.870 0.010 0.000 1.073 271 L CA 1.310 56.148 54.840 -0.002 0.000 0.748 271 L CB -0.608 41.448 42.059 -0.006 0.000 0.891 271 L HN 0.381 nan 8.230 nan 0.000 0.431 272 N N -1.173 117.529 118.700 0.004 0.000 2.270 272 N HA -0.198 4.543 4.740 0.002 0.000 0.181 272 N C 1.794 177.329 175.510 0.041 0.000 1.016 272 N CA 1.062 54.124 53.050 0.020 0.000 0.870 272 N CB -0.294 38.200 38.487 0.012 0.000 0.979 272 N HN 0.431 nan 8.380 nan 0.000 0.431 273 H N 0.370 119.407 119.070 -0.056 0.000 2.321 273 H HA -0.024 4.533 4.556 0.001 0.000 0.300 273 H C 2.027 177.330 175.328 -0.041 0.000 1.087 273 H CA 2.205 58.226 56.048 -0.044 0.000 1.319 273 H CB -0.554 29.167 29.762 -0.069 0.000 1.379 273 H HN 0.184 nan 8.280 nan 0.000 0.501 274 G N -0.581 108.185 108.800 -0.057 0.000 2.402 274 G HA2 -0.274 3.687 3.960 0.002 0.000 0.216 274 G HA3 -0.274 3.687 3.960 0.002 0.000 0.216 274 G C 1.549 176.358 174.900 -0.152 0.000 1.162 274 G CA 0.884 45.903 45.100 -0.135 0.000 0.777 274 G HN 0.496 nan 8.290 nan 0.000 0.539 275 D N 0.304 120.670 120.400 -0.057 0.000 2.097 275 D HA -0.094 4.547 4.640 0.002 0.000 0.195 275 D C 2.645 178.937 176.300 -0.014 0.000 0.989 275 D CA 1.114 55.127 54.000 0.022 0.000 0.827 275 D CB -0.173 40.679 40.800 0.088 0.000 0.966 275 D HN 0.396 nan 8.370 nan 0.000 0.456 276 Q N -0.460 119.320 119.800 -0.034 0.000 2.084 276 Q HA -0.083 4.258 4.340 0.002 0.000 0.202 276 Q C 2.464 178.419 176.000 -0.075 0.000 0.978 276 Q CA 1.012 56.797 55.803 -0.031 0.000 0.844 276 Q CB 0.003 28.725 28.738 -0.026 0.000 0.898 276 Q HN 0.425 nan 8.270 nan 0.000 0.426 277 I N 0.282 120.759 120.570 -0.155 0.000 2.439 277 I HA -0.229 3.942 4.170 0.002 0.000 0.251 277 I C 2.011 178.034 176.117 -0.156 0.000 1.139 277 I CA 0.759 61.965 61.300 -0.157 0.000 1.438 277 I CB -0.099 37.745 38.000 -0.261 0.000 1.085 277 I HN 0.200 nan 8.210 nan 0.000 0.427 278 L N 0.233 121.289 121.223 -0.278 0.000 2.141 278 L HA -0.206 4.135 4.340 0.002 0.000 0.209 278 L C 2.126 178.848 176.870 -0.247 0.000 1.094 278 L CA 1.064 55.645 54.840 -0.432 0.000 0.763 278 L CB -0.598 40.831 42.059 -1.051 0.000 0.908 278 L HN 0.268 nan 8.230 nan 0.000 0.437 279 D N 0.031 120.388 120.400 -0.071 0.000 2.123 279 D HA -0.191 4.450 4.640 0.002 0.000 0.196 279 D C 2.094 178.433 176.300 0.064 0.000 0.992 279 D CA 1.183 55.261 54.000 0.129 0.000 0.833 279 D CB 0.036 40.906 40.800 0.117 0.000 0.954 279 D HN 0.291 nan 8.370 nan 0.000 0.455 280 E N 0.485 120.696 120.200 0.018 0.000 2.150 280 E HA -0.060 4.291 4.350 0.002 0.000 0.193 280 E C 2.029 178.648 176.600 0.032 0.000 0.985 280 E CA 0.527 56.938 56.400 0.018 0.000 0.814 280 E CB -0.204 29.500 29.700 0.006 0.000 0.752 280 E HN 0.223 nan 8.360 nan 0.000 0.466 281 A N 1.679 124.534 122.820 0.060 0.000 1.929 281 A HA -0.136 4.185 4.320 0.002 0.000 0.216 281 A C 1.993 179.704 177.584 0.212 0.000 1.176 281 A CA 1.045 53.181 52.037 0.164 0.000 0.628 281 A CB -0.357 18.745 19.000 0.169 0.000 0.816 281 A HN 0.137 nan 8.150 nan 0.000 0.444 282 N N 0.071 118.866 118.700 0.159 0.000 2.120 282 N HA -0.130 4.611 4.740 0.002 0.000 0.188 282 N C 1.647 177.231 175.510 0.123 0.000 1.024 282 N CA 1.434 54.593 53.050 0.181 0.000 0.852 282 N CB -0.205 38.403 38.487 0.203 0.000 1.003 282 N HN 0.549 nan 8.380 nan 0.000 0.424 283 K N 0.905 121.347 120.400 0.069 0.000 2.057 283 K HA 0.014 4.335 4.320 0.002 0.000 0.206 283 K C 2.164 178.737 176.600 -0.045 0.000 1.050 283 K CA 1.098 57.397 56.287 0.020 0.000 0.935 283 K CB -0.100 32.405 32.500 0.009 0.000 0.715 283 K HN 0.084 nan 8.250 nan 0.000 0.439 284 A N 0.775 123.520 122.820 -0.126 0.000 1.902 284 A HA -0.120 4.201 4.320 0.002 0.000 0.217 284 A C 1.461 178.738 177.584 -0.511 0.000 1.181 284 A CA 1.369 53.178 52.037 -0.379 0.000 0.623 284 A CB -0.441 18.202 19.000 -0.594 0.000 0.818 284 A HN 0.246 nan 8.150 nan 0.000 0.443 285 F N -0.957 119.020 119.950 0.045 0.000 2.641 285 F HA 0.331 4.859 4.527 0.001 0.000 0.302 285 F C 0.390 176.214 175.800 0.040 0.000 1.098 285 F CA -1.273 56.754 58.000 0.045 0.000 1.318 285 F CB -0.255 38.776 39.000 0.051 0.000 1.035 285 F HN 0.091 nan 8.300 nan 0.000 0.551 286 L N 1.286 122.588 121.223 0.132 0.000 2.640 286 L HA 0.254 4.595 4.340 0.002 0.000 0.280 286 L C 1.259 178.180 176.870 0.086 0.000 1.229 286 L CA 1.081 55.980 54.840 0.100 0.000 0.919 286 L CB -0.119 41.974 42.059 0.056 0.000 1.168 286 L HN 0.529 nan 8.230 nan 0.000 0.496 287 G N 2.316 111.163 108.800 0.079 0.000 2.253 287 G HA2 -0.297 3.664 3.960 0.002 0.000 0.251 287 G HA3 -0.297 3.664 3.960 0.002 0.000 0.251 287 G C 0.600 175.541 174.900 0.068 0.000 0.998 287 G CA 0.096 45.230 45.100 0.058 0.000 0.621 287 G HN 0.883 nan 8.290 nan 0.000 0.524 288 C N 1.411 120.776 119.300 0.107 0.000 2.652 288 C HA 0.456 4.917 4.460 0.002 0.000 0.412 288 C C 1.251 176.288 174.990 0.079 0.000 1.294 288 C CA -0.142 58.941 59.018 0.109 0.000 2.127 288 C CB 0.754 28.604 27.740 0.183 0.000 2.691 288 C HN 0.448 nan 8.230 nan 0.000 0.615 289 K N 2.108 122.546 120.400 0.063 0.000 2.278 289 K HA 0.383 4.704 4.320 0.002 0.000 0.237 289 K C -0.182 176.448 176.600 0.051 0.000 1.229 289 K CA 0.019 56.337 56.287 0.051 0.000 1.155 289 K CB -0.143 32.385 32.500 0.046 0.000 1.590 289 K HN 0.634 nan 8.250 nan 0.000 0.290 290 V N -2.261 117.677 119.914 0.039 0.000 3.188 290 V HA 0.551 4.672 4.120 0.002 0.000 0.305 290 V C -1.188 174.912 176.094 0.010 0.000 1.232 290 V CA -1.326 60.979 62.300 0.008 0.000 1.043 290 V CB 2.316 34.093 31.823 -0.076 0.000 1.068 290 V HN 0.070 nan 8.190 nan 0.000 0.439 291 K N 1.633 122.034 120.400 0.002 0.000 2.208 291 K HA 0.720 5.041 4.320 0.002 0.000 0.247 291 K C -0.933 175.642 176.600 -0.041 0.000 0.953 291 K CA -0.589 55.701 56.287 0.004 0.000 0.837 291 K CB 2.368 34.886 32.500 0.029 0.000 1.131 291 K HN 0.757 nan 8.250 nan 0.000 0.431 292 L N 0.945 122.156 121.223 -0.021 0.000 2.375 292 L HA 0.729 5.070 4.340 0.002 0.000 0.268 292 L C 0.091 176.936 176.870 -0.041 0.000 1.058 292 L CA -0.725 54.089 54.840 -0.044 0.000 0.803 292 L CB 1.495 43.557 42.059 0.006 0.000 1.212 292 L HN 0.727 nan 8.230 nan 0.000 0.451 293 A N 1.857 124.642 122.820 -0.058 0.000 2.608 293 A HA 0.802 5.123 4.320 0.002 0.000 0.292 293 A C -1.274 176.278 177.584 -0.053 0.000 1.066 293 A CA -0.486 51.525 52.037 -0.043 0.000 0.676 293 A CB 1.695 20.678 19.000 -0.029 0.000 1.277 293 A HN 0.688 nan 8.150 nan 0.000 0.413 294 I N -2.007 118.542 120.570 -0.036 0.000 3.042 294 I HA 0.915 5.086 4.170 0.002 0.000 0.310 294 I C -0.824 175.287 176.117 -0.010 0.000 1.117 294 I CA -1.117 60.160 61.300 -0.037 0.000 1.003 294 I CB 2.213 40.191 38.000 -0.038 0.000 1.228 294 I HN 0.488 nan 8.210 nan 0.000 0.443 295 K N 2.832 123.225 120.400 -0.012 0.000 2.274 295 K HA 0.671 4.992 4.320 0.002 0.000 0.262 295 K C -1.694 174.945 176.600 0.064 0.000 0.961 295 K CA -0.545 55.752 56.287 0.017 0.000 0.833 295 K CB 1.707 34.193 32.500 -0.023 0.000 1.102 295 K HN 0.591 nan 8.250 nan 0.000 0.436 296 V N 3.326 123.323 119.914 0.138 0.000 2.435 296 V HA 0.372 4.493 4.120 0.002 0.000 0.290 296 V C 0.015 176.262 176.094 0.254 0.000 1.030 296 V CA -0.848 61.580 62.300 0.214 0.000 0.881 296 V CB 1.517 33.438 31.823 0.164 0.000 0.983 296 V HN 0.904 nan 8.190 nan 0.000 0.445 297 S N 3.271 119.156 115.700 0.308 0.000 2.585 297 S HA 0.476 4.947 4.470 0.002 0.000 0.273 297 S C 0.503 175.218 174.600 0.191 0.000 1.339 297 S CA 0.019 58.361 58.200 0.237 0.000 1.028 297 S CB 0.823 64.222 63.200 0.332 0.000 0.906 297 S HN 1.083 nan 8.310 nan 0.000 0.528 298 G N 4.055 112.824 108.800 -0.052 0.000 2.655 298 G HA2 0.498 4.459 3.960 0.002 0.000 0.334 298 G HA3 0.498 4.459 3.960 0.002 0.000 0.334 298 G C -0.436 174.443 174.900 -0.034 0.000 1.099 298 G CA -0.500 44.512 45.100 -0.147 0.000 1.075 298 G HN 0.645 nan 8.290 nan 0.000 0.463 299 I N 3.945 124.452 120.570 -0.105 0.000 2.276 299 I HA 0.157 4.328 4.170 0.002 0.000 0.290 299 I C 0.909 176.760 176.117 -0.443 0.000 1.109 299 I CA -0.774 60.108 61.300 -0.697 0.000 1.229 299 I CB 0.085 37.777 38.000 -0.513 0.000 1.452 299 I HN 0.750 nan 8.210 nan 0.000 0.497 300 H N 3.016 121.981 119.070 -0.174 0.000 2.563 300 H HA 0.093 4.650 4.556 0.002 0.000 0.264 300 H C 0.047 175.506 175.328 0.218 0.000 0.957 300 H CA -0.738 55.356 56.048 0.077 0.000 1.173 300 H CB -0.408 29.425 29.762 0.120 0.000 1.420 300 H HN 0.536 nan 8.280 nan 0.000 0.551 301 W N -0.365 120.853 121.300 -0.138 0.000 2.287 301 W HA 0.350 5.011 4.660 0.002 0.000 0.313 301 W C -0.572 175.872 176.519 -0.125 0.000 1.267 301 W CA -1.362 55.848 57.345 -0.225 0.000 1.201 301 W CB 0.217 29.401 29.460 -0.460 0.000 1.196 301 W HN 0.300 nan 8.180 nan 0.000 0.536 302 W N 0.876 122.247 121.300 0.118 0.000 1.814 302 W HA -0.362 4.299 4.660 0.001 0.000 0.259 302 W C 1.369 177.814 176.519 -0.123 0.000 1.042 302 W CA 0.517 57.839 57.345 -0.039 0.000 0.450 302 W CB -2.286 27.104 29.460 -0.117 0.000 2.061 302 W HN 0.693 nan 8.180 nan 0.000 1.213 303 Y N 1.695 122.000 120.300 0.009 0.000 2.333 303 Y HA -0.115 4.436 4.550 0.002 0.000 0.290 303 Y C 2.113 177.899 175.900 -0.190 0.000 1.144 303 Y CA 2.066 60.142 58.100 -0.040 0.000 1.228 303 Y CB 0.003 38.527 38.460 0.106 0.000 0.985 303 Y HN -0.194 nan 8.280 nan 0.000 0.542 304 K N 0.586 121.001 120.400 0.025 0.000 2.486 304 K HA 0.067 4.388 4.320 0.002 0.000 0.194 304 K C 0.217 176.775 176.600 -0.070 0.000 1.033 304 K CA 0.708 56.995 56.287 0.000 0.000 1.004 304 K CB -0.359 32.180 32.500 0.066 0.000 0.798 304 K HN 0.267 nan 8.250 nan 0.000 0.495 305 V N -2.626 117.209 119.914 -0.131 0.000 2.815 305 V HA 0.288 4.409 4.120 0.002 0.000 0.314 305 V C 1.224 177.218 176.094 -0.167 0.000 1.064 305 V CA -0.884 61.377 62.300 -0.065 0.000 0.952 305 V CB 1.984 33.859 31.823 0.087 0.000 1.020 305 V HN -0.017 nan 8.190 nan 0.000 0.439 306 E N 2.006 122.206 120.200 -0.000 0.000 2.169 306 E HA -0.263 4.088 4.350 0.002 0.000 0.202 306 E C 1.771 178.511 176.600 0.233 0.000 1.016 306 E CA 2.263 58.742 56.400 0.131 0.000 0.817 306 E CB -0.068 29.735 29.700 0.173 0.000 0.736 306 E HN 0.966 nan 8.360 nan 0.000 0.462 307 N N -0.115 118.614 118.700 0.049 0.000 2.409 307 N HA -0.165 4.576 4.740 0.002 0.000 0.179 307 N C -0.144 175.411 175.510 0.074 0.000 1.032 307 N CA 0.666 53.655 53.050 -0.102 0.000 0.898 307 N CB -0.257 38.022 38.487 -0.347 0.000 0.971 307 N HN 0.272 nan 8.380 nan 0.000 0.441 308 H N 0.136 119.188 119.070 -0.031 0.000 2.557 308 H HA -0.163 4.394 4.556 0.002 0.000 0.319 308 H C 1.411 176.680 175.328 -0.098 0.000 1.102 308 H CA 0.412 56.462 56.048 0.004 0.000 1.126 308 H CB -1.253 28.534 29.762 0.042 0.000 1.498 308 H HN 0.542 nan 8.280 nan 0.000 0.411 309 A N 0.726 123.371 122.820 -0.292 0.000 1.917 309 A HA -0.131 4.190 4.320 0.002 0.000 0.219 309 A C 2.548 179.799 177.584 -0.555 0.000 1.182 309 A CA 2.208 53.725 52.037 -0.866 0.000 0.633 309 A CB -0.635 17.494 19.000 -1.451 0.000 0.819 309 A HN 0.652 nan 8.150 nan 0.000 0.448 310 A N -0.453 122.214 122.820 -0.255 0.000 1.902 310 A HA -0.177 4.144 4.320 0.002 0.000 0.217 310 A C 1.924 179.398 177.584 -0.183 0.000 1.181 310 A CA 1.732 53.635 52.037 -0.222 0.000 0.623 310 A CB -0.515 18.220 19.000 -0.441 0.000 0.818 310 A HN 0.664 nan 8.150 nan 0.000 0.443 311 E N -0.629 119.544 120.200 -0.045 0.000 2.072 311 E HA -0.133 4.218 4.350 0.002 0.000 0.191 311 E C 1.831 178.519 176.600 0.146 0.000 0.985 311 E CA 1.013 57.495 56.400 0.138 0.000 0.801 311 E CB -0.232 29.645 29.700 0.295 0.000 0.750 311 E HN 0.444 nan 8.360 nan 0.000 0.452 312 L N 0.787 122.105 121.223 0.157 0.000 2.046 312 L HA -0.183 4.158 4.340 0.002 0.000 0.208 312 L C 2.711 179.761 176.870 0.300 0.000 1.077 312 L CA 2.120 57.136 54.840 0.293 0.000 0.747 312 L CB -1.041 41.310 42.059 0.487 0.000 0.896 312 L HN 0.282 nan 8.230 nan 0.000 0.432 313 T N -3.843 110.693 114.554 -0.029 0.000 2.995 313 T HA -0.048 4.303 4.350 0.002 0.000 0.269 313 T C 1.830 176.604 174.700 0.123 0.000 1.091 313 T CA 0.786 62.739 62.100 -0.244 0.000 1.128 313 T CB -0.416 68.116 68.868 -0.559 0.000 0.891 313 T HN 0.243 nan 8.240 nan 0.000 0.492 314 A N 1.153 124.014 122.820 0.069 0.000 2.016 314 A HA 0.533 4.854 4.320 0.002 0.000 0.217 314 A C 2.196 179.734 177.584 -0.077 0.000 1.162 314 A CA 1.071 53.098 52.037 -0.016 0.000 0.662 314 A CB -0.876 18.050 19.000 -0.123 0.000 0.812 314 A HN 1.323 nan 8.150 nan 0.000 0.450 315 G N -3.353 105.454 108.800 0.011 0.000 2.227 315 G HA2 -0.139 3.822 3.960 0.002 0.000 0.168 315 G HA3 -0.139 3.822 3.960 0.002 0.000 0.168 315 G C -0.298 174.521 174.900 -0.134 0.000 1.006 315 G CA -0.064 44.990 45.100 -0.077 0.000 0.684 315 G HN 0.318 nan 8.290 nan 0.000 0.489 316 Y N 0.996 121.354 120.300 0.096 0.000 2.454 316 Y HA 0.455 5.006 4.550 0.002 0.000 0.345 316 Y C 0.511 176.430 175.900 0.032 0.000 0.970 316 Y CA -1.821 56.243 58.100 -0.059 0.000 1.204 316 Y CB 0.393 38.735 38.460 -0.197 0.000 1.122 316 Y HN 0.268 nan 8.280 nan 0.000 0.514 317 Y N 4.668 124.981 120.300 0.022 0.000 2.623 317 Y HA 0.131 4.682 4.550 0.002 0.000 0.341 317 Y C -0.178 175.673 175.900 -0.080 0.000 1.292 317 Y CA -0.513 57.604 58.100 0.028 0.000 1.840 317 Y CB -0.177 38.301 38.460 0.030 0.000 1.865 317 Y HN 0.624 nan 8.280 nan 0.000 0.440 318 N N 4.366 123.103 118.700 0.061 0.000 2.417 318 N HA 0.489 5.230 4.740 0.002 0.000 0.274 318 N C -1.635 173.654 175.510 -0.367 0.000 0.987 318 N CA -0.242 52.681 53.050 -0.211 0.000 0.912 318 N CB 0.966 39.292 38.487 -0.269 0.000 1.177 318 N HN 0.530 nan 8.380 nan 0.000 0.490 319 L N 2.085 123.062 121.223 -0.410 0.000 2.322 319 L HA 0.482 4.823 4.340 0.002 0.000 0.252 319 L C 0.990 177.676 176.870 -0.306 0.000 1.055 319 L CA -1.040 53.562 54.840 -0.397 0.000 0.849 319 L CB 1.277 43.312 42.059 -0.040 0.000 1.446 319 L HN 0.398 nan 8.230 nan 0.000 0.416 320 N N 0.799 119.462 118.700 -0.062 0.000 2.192 320 N HA -0.183 4.558 4.740 0.002 0.000 0.188 320 N C 0.503 175.991 175.510 -0.037 0.000 1.013 320 N CA 1.585 54.641 53.050 0.009 0.000 0.863 320 N CB -0.140 38.398 38.487 0.084 0.000 0.990 320 N HN 0.665 nan 8.380 nan 0.000 0.430 321 D N -1.524 118.843 120.400 -0.055 0.000 2.538 321 D HA 0.097 4.738 4.640 0.002 0.000 0.231 321 D C -0.237 175.998 176.300 -0.110 0.000 1.229 321 D CA -0.196 53.766 54.000 -0.064 0.000 0.828 321 D CB 0.070 40.845 40.800 -0.042 0.000 1.035 321 D HN 0.050 nan 8.370 nan 0.000 0.495 322 R N 0.959 121.364 120.500 -0.159 0.000 2.569 322 R HA 0.116 4.457 4.340 0.002 0.000 0.293 322 R C -1.558 174.615 176.300 -0.212 0.000 1.186 322 R CA -0.479 55.489 56.100 -0.219 0.000 0.956 322 R CB 1.056 31.135 30.300 -0.369 0.000 1.196 322 R HN -0.175 nan 8.270 nan 0.000 0.444 323 D N 3.118 123.426 120.400 -0.153 0.000 2.348 323 D HA 0.069 4.710 4.640 0.002 0.000 0.259 323 D C 0.799 177.000 176.300 -0.165 0.000 1.296 323 D CA 0.433 54.363 54.000 -0.117 0.000 0.931 323 D CB 1.230 41.990 40.800 -0.067 0.000 1.067 323 D HN 0.828 nan 8.370 nan 0.000 0.503 324 G N 2.693 111.335 108.800 -0.263 0.000 2.920 324 G HA2 -0.152 3.809 3.960 0.002 0.000 0.208 324 G HA3 -0.152 3.809 3.960 0.002 0.000 0.208 324 G C 0.666 175.275 174.900 -0.485 0.000 1.159 324 G CA 0.288 45.173 45.100 -0.359 0.000 0.784 324 G HN 0.462 nan 8.290 nan 0.000 0.535 325 Y N -0.887 119.352 120.300 -0.102 0.000 2.559 325 Y HA 0.279 4.830 4.550 0.001 0.000 0.279 325 Y C 2.580 178.392 175.900 -0.147 0.000 1.117 325 Y CA -0.126 57.871 58.100 -0.172 0.000 1.263 325 Y CB -0.079 38.214 38.460 -0.278 0.000 1.230 325 Y HN 0.060 nan 8.280 nan 0.000 0.528 326 R N 0.740 121.250 120.500 0.016 0.000 2.139 326 R HA -0.137 4.204 4.340 0.002 0.000 0.243 326 R C -1.075 175.211 176.300 -0.024 0.000 1.145 326 R CA 1.707 57.792 56.100 -0.024 0.000 0.976 326 R CB -1.105 29.173 30.300 -0.036 0.000 0.866 326 R HN 0.210 nan 8.270 nan 0.000 0.449 327 P HA -0.129 nan 4.420 nan 0.000 0.218 327 P C 0.845 178.142 177.300 -0.004 0.000 1.149 327 P CA 1.246 64.336 63.100 -0.017 0.000 0.817 327 P CB 0.021 31.707 31.700 -0.024 0.000 0.785 328 I N -0.820 119.750 120.570 0.000 0.000 2.252 328 I HA -0.220 3.951 4.170 0.002 0.000 0.245 328 I C 2.284 178.402 176.117 0.001 0.000 1.102 328 I CA 1.356 62.664 61.300 0.012 0.000 1.385 328 I CB -0.815 37.200 38.000 0.027 0.000 1.064 328 I HN -0.076 nan 8.210 nan 0.000 0.414 329 A N 0.913 123.722 122.820 -0.018 0.000 1.902 329 A HA -0.239 4.082 4.320 0.002 0.000 0.217 329 A C 2.442 180.024 177.584 -0.002 0.000 1.181 329 A CA 1.719 53.741 52.037 -0.025 0.000 0.623 329 A CB -0.631 18.337 19.000 -0.053 0.000 0.818 329 A HN 0.352 nan 8.150 nan 0.000 0.443 330 R N -1.098 119.402 120.500 0.000 0.000 2.120 330 R HA -0.101 4.240 4.340 0.002 0.000 0.234 330 R C 2.187 178.493 176.300 0.010 0.000 1.123 330 R CA 1.575 57.680 56.100 0.009 0.000 0.975 330 R CB -0.265 30.038 30.300 0.006 0.000 0.866 330 R HN 0.511 nan 8.270 nan 0.000 0.446 331 M N 0.701 120.313 119.600 0.019 0.000 2.132 331 M HA -0.127 4.354 4.480 0.002 0.000 0.263 331 M C 1.727 178.079 176.300 0.087 0.000 1.065 331 M CA 1.636 56.962 55.300 0.043 0.000 1.122 331 M CB -0.312 32.317 32.600 0.047 0.000 1.365 331 M HN 0.286 nan 8.290 nan 0.000 0.411 332 L N -0.292 120.970 121.223 0.065 0.000 2.201 332 L HA -0.166 4.175 4.340 0.002 0.000 0.212 332 L C 2.349 179.239 176.870 0.033 0.000 1.105 332 L CA 0.767 55.655 54.840 0.080 0.000 0.775 332 L CB -0.778 41.298 42.059 0.027 0.000 0.913 332 L HN 0.290 nan 8.230 nan 0.000 0.440 333 S N 0.703 116.402 115.700 -0.002 0.000 2.368 333 S HA -0.261 4.210 4.470 0.002 0.000 0.226 333 S C 1.923 176.417 174.600 -0.177 0.000 1.044 333 S CA 2.038 60.218 58.200 -0.034 0.000 1.062 333 S CB -0.418 62.783 63.200 0.001 0.000 0.931 333 S HN 0.555 nan 8.310 nan 0.000 0.440 334 R N 0.814 121.164 120.500 -0.250 0.000 2.241 334 R HA -0.032 4.309 4.340 0.002 0.000 0.224 334 R C 1.245 177.068 176.300 -0.796 0.000 1.101 334 R CA 1.519 57.340 56.100 -0.465 0.000 0.995 334 R CB -0.608 29.433 30.300 -0.431 0.000 0.870 334 R HN 0.508 nan 8.270 nan 0.000 0.463 335 H N 0.036 118.873 119.070 -0.389 0.000 2.586 335 H HA 0.099 4.657 4.556 0.002 0.000 0.273 335 H C -0.256 174.880 175.328 -0.320 0.000 0.997 335 H CA 0.465 56.314 56.048 -0.332 0.000 1.177 335 H CB 0.116 29.806 29.762 -0.120 0.000 1.471 335 H HN 0.506 nan 8.280 nan 0.000 0.538 336 H N -0.897 118.210 119.070 0.061 0.000 2.820 336 H HA -0.116 4.441 4.556 0.002 0.000 0.295 336 H C 0.508 175.837 175.328 0.002 0.000 1.187 336 H CA 0.230 56.288 56.048 0.017 0.000 1.144 336 H CB -1.640 28.124 29.762 0.004 0.000 1.354 336 H HN 0.483 nan 8.280 nan 0.000 0.395 337 A N 0.436 123.295 122.820 0.065 0.000 2.271 337 A HA 0.662 4.983 4.320 0.002 0.000 0.288 337 A C 0.553 178.124 177.584 -0.023 0.000 1.094 337 A CA -0.523 51.527 52.037 0.022 0.000 0.828 337 A CB 0.779 19.792 19.000 0.021 0.000 1.091 337 A HN 0.325 nan 8.150 nan 0.000 0.493 338 I N 0.576 121.120 120.570 -0.043 0.000 2.428 338 I HA 0.275 4.446 4.170 0.002 0.000 0.296 338 I C -0.250 175.860 176.117 -0.012 0.000 0.985 338 I CA -0.233 61.039 61.300 -0.047 0.000 1.260 338 I CB 1.415 39.398 38.000 -0.029 0.000 1.389 338 I HN 0.537 nan 8.210 nan 0.000 0.484 339 L N 7.026 128.244 121.223 -0.009 0.000 2.262 339 L HA 0.356 4.697 4.340 0.002 0.000 0.288 339 L C -0.190 176.704 176.870 0.039 0.000 1.035 339 L CA -0.143 54.692 54.840 -0.009 0.000 0.820 339 L CB 0.301 42.319 42.059 -0.069 0.000 1.204 339 L HN 0.658 nan 8.230 nan 0.000 0.424 340 N N 4.028 122.768 118.700 0.067 0.000 2.414 340 N HA 0.192 4.933 4.740 0.002 0.000 0.256 340 N C -0.909 174.705 175.510 0.174 0.000 1.029 340 N CA -0.460 52.656 53.050 0.110 0.000 0.948 340 N CB 0.770 39.300 38.487 0.071 0.000 1.102 340 N HN 0.417 nan 8.380 nan 0.000 0.496 341 F N 2.005 121.940 119.950 -0.024 0.000 2.590 341 F HA 0.569 5.097 4.527 0.002 0.000 0.379 341 F C 0.736 176.525 175.800 -0.019 0.000 1.154 341 F CA -0.319 57.647 58.000 -0.057 0.000 1.136 341 F CB 1.380 40.311 39.000 -0.116 0.000 1.601 341 F HN 0.329 nan 8.300 nan 0.000 0.504 342 T N -1.968 112.141 114.554 -0.742 0.000 2.630 342 T HA 0.306 4.657 4.350 0.002 0.000 0.300 342 T C -0.726 173.676 174.700 -0.497 0.000 1.261 342 T CA 0.290 62.096 62.100 -0.490 0.000 1.060 342 T CB 0.259 68.887 68.868 -0.399 0.000 1.670 342 T HN 0.806 nan 8.240 nan 0.000 0.473 343 C N 0.844 119.964 119.300 -0.300 0.000 4.358 343 C HA -0.106 4.355 4.460 0.002 0.000 0.287 343 C C 1.734 176.649 174.990 -0.125 0.000 1.414 343 C CA 0.293 59.185 59.018 -0.210 0.000 1.949 343 C CB -2.986 24.616 27.740 -0.230 0.000 1.274 343 C HN 0.770 nan 8.230 nan 0.000 0.793 344 L N 1.539 122.722 121.223 -0.066 0.000 2.353 344 L HA -0.076 4.265 4.340 0.002 0.000 0.220 344 L C 2.521 179.398 176.870 0.011 0.000 1.133 344 L CA 2.496 57.353 54.840 0.028 0.000 0.798 344 L CB -0.438 41.678 42.059 0.095 0.000 0.922 344 L HN 0.707 nan 8.230 nan 0.000 0.445 345 E N -1.341 118.824 120.200 -0.058 0.000 2.476 345 E HA -0.002 4.349 4.350 0.002 0.000 0.199 345 E C 0.620 177.154 176.600 -0.111 0.000 1.021 345 E CA 0.031 56.378 56.400 -0.088 0.000 0.907 345 E CB -0.005 29.602 29.700 -0.155 0.000 0.974 345 E HN 0.326 nan 8.360 nan 0.000 0.489 346 M N 1.509 121.030 119.600 -0.130 0.000 2.235 346 M HA 0.347 4.828 4.480 0.002 0.000 0.351 346 M C 0.248 176.470 176.300 -0.131 0.000 1.178 346 M CA 0.040 55.241 55.300 -0.165 0.000 1.143 346 M CB 1.185 33.630 32.600 -0.258 0.000 1.530 346 M HN -0.232 nan 8.290 nan 0.000 0.461 347 R N 1.055 121.481 120.500 -0.124 0.000 2.670 347 R HA 0.227 4.568 4.340 0.002 0.000 0.289 347 R C -0.254 175.988 176.300 -0.097 0.000 0.965 347 R CA -0.889 55.158 56.100 -0.089 0.000 0.899 347 R CB 1.571 31.837 30.300 -0.057 0.000 1.173 347 R HN 0.638 nan 8.270 nan 0.000 0.456 348 D N 0.541 120.895 120.400 -0.077 0.000 2.190 348 D HA -0.175 4.466 4.640 0.002 0.000 0.200 348 D C 1.670 177.945 176.300 -0.041 0.000 0.992 348 D CA 1.910 55.875 54.000 -0.057 0.000 0.854 348 D CB 0.021 40.802 40.800 -0.032 0.000 0.936 348 D HN 0.533 nan 8.370 nan 0.000 0.462 349 S N 0.131 115.809 115.700 -0.038 0.000 2.447 349 S HA -0.125 4.346 4.470 0.002 0.000 0.233 349 S C 1.531 176.108 174.600 -0.039 0.000 1.006 349 S CA 0.619 58.801 58.200 -0.030 0.000 0.957 349 S CB -0.298 62.888 63.200 -0.023 0.000 0.773 349 S HN 0.336 nan 8.310 nan 0.000 0.507 350 E N 0.793 120.958 120.200 -0.059 0.000 2.481 350 E HA 0.081 4.432 4.350 0.002 0.000 0.195 350 E C 0.043 176.601 176.600 -0.071 0.000 1.047 350 E CA 0.178 56.535 56.400 -0.072 0.000 0.867 350 E CB 0.107 29.748 29.700 -0.099 0.000 0.858 350 E HN 0.563 nan 8.360 nan 0.000 0.513 351 Q N 1.490 121.261 119.800 -0.048 0.000 2.235 351 Q HA 0.291 4.632 4.340 0.002 0.000 0.256 351 Q C -2.217 173.796 176.000 0.021 0.000 0.951 351 Q CA -2.541 53.262 55.803 -0.000 0.000 0.890 351 Q CB 0.431 29.204 28.738 0.059 0.000 1.279 351 Q HN 0.004 nan 8.270 nan 0.000 0.444 352 P HA 0.079 nan 4.420 nan 0.000 0.268 352 P C 0.139 177.430 177.300 -0.016 0.000 1.204 352 P CA 0.094 63.204 63.100 0.017 0.000 0.768 352 P CB 0.834 32.553 31.700 0.032 0.000 0.842 353 S N 1.743 117.426 115.700 -0.028 0.000 2.402 353 S HA -0.174 4.297 4.470 0.002 0.000 0.233 353 S C 1.364 175.913 174.600 -0.084 0.000 1.030 353 S CA 1.706 59.881 58.200 -0.041 0.000 1.003 353 S CB -0.630 62.557 63.200 -0.022 0.000 0.813 353 S HN 0.687 nan 8.310 nan 0.000 0.477 354 D N 1.583 121.925 120.400 -0.096 0.000 2.350 354 D HA -0.019 4.622 4.640 0.002 0.000 0.216 354 D C 1.559 177.648 176.300 -0.352 0.000 0.968 354 D CA 0.910 54.831 54.000 -0.133 0.000 0.894 354 D CB -0.132 40.617 40.800 -0.084 0.000 0.909 354 D HN 0.480 nan 8.370 nan 0.000 0.520 355 A N 0.872 123.455 122.820 -0.394 0.000 2.169 355 A HA -0.035 4.286 4.320 0.002 0.000 0.212 355 A C 0.950 178.063 177.584 -0.784 0.000 1.153 355 A CA -0.013 51.608 52.037 -0.695 0.000 0.756 355 A CB -0.132 18.647 19.000 -0.368 0.000 0.813 355 A HN -0.031 nan 8.150 nan 0.000 0.471 356 K N 0.427 120.567 120.400 -0.434 0.000 3.071 356 K HA -0.145 4.176 4.320 0.002 0.000 0.262 356 K C 0.113 176.652 176.600 -0.101 0.000 0.977 356 K CA 1.004 57.150 56.287 -0.235 0.000 0.721 356 K CB -2.284 30.086 32.500 -0.216 0.000 1.293 356 K HN 0.546 nan 8.250 nan 0.000 0.475 357 S N -0.518 115.180 115.700 -0.002 0.000 2.537 357 S HA 0.558 5.029 4.470 0.002 0.000 0.275 357 S C 0.793 175.479 174.600 0.144 0.000 1.272 357 S CA 0.224 58.537 58.200 0.188 0.000 1.050 357 S CB 1.219 64.639 63.200 0.367 0.000 0.961 357 S HN 0.437 nan 8.310 nan 0.000 0.496 358 G N 5.116 114.012 108.800 0.160 0.000 4.855 358 G HA2 0.332 4.293 3.960 0.002 0.000 0.275 358 G HA3 0.332 4.293 3.960 0.002 0.000 0.275 358 G C -1.617 173.177 174.900 -0.176 0.000 1.282 358 G CA -0.900 44.212 45.100 0.020 0.000 0.930 358 G HN 0.601 nan 8.290 nan 0.000 0.575 359 P HA -0.232 nan 4.420 nan 0.000 0.216 359 P C 1.480 178.652 177.300 -0.213 0.000 1.153 359 P CA 1.158 64.143 63.100 -0.191 0.000 0.858 359 P CB 0.481 31.982 31.700 -0.330 0.000 0.789 360 Q N -0.075 119.609 119.800 -0.193 0.000 2.050 360 Q HA -0.196 4.145 4.340 0.002 0.000 0.202 360 Q C 2.266 178.087 176.000 -0.298 0.000 0.980 360 Q CA 1.662 57.343 55.803 -0.203 0.000 0.840 360 Q CB -0.406 28.244 28.738 -0.147 0.000 0.898 360 Q HN 0.286 nan 8.270 nan 0.000 0.424 361 E N 0.556 120.587 120.200 -0.282 0.000 2.106 361 E HA -0.170 4.181 4.350 0.002 0.000 0.192 361 E C 1.698 178.041 176.600 -0.428 0.000 0.984 361 E CA 0.572 56.802 56.400 -0.283 0.000 0.806 361 E CB -0.154 29.506 29.700 -0.067 0.000 0.750 361 E HN 0.154 nan 8.360 nan 0.000 0.458 362 L N 0.027 120.855 121.223 -0.658 0.000 2.027 362 L HA -0.132 4.209 4.340 0.002 0.000 0.206 362 L C 2.024 178.695 176.870 -0.332 0.000 1.074 362 L CA 1.394 55.869 54.840 -0.609 0.000 0.745 362 L CB -0.496 41.246 42.059 -0.528 0.000 0.898 362 L HN 0.013 nan 8.230 nan 0.000 0.433 363 V N -0.263 119.544 119.914 -0.180 0.000 2.287 363 V HA -0.366 3.755 4.120 0.002 0.000 0.248 363 V C 2.610 178.534 176.094 -0.283 0.000 1.053 363 V CA 2.171 64.433 62.300 -0.063 0.000 1.027 363 V CB -0.753 31.078 31.823 0.014 0.000 0.646 363 V HN 0.570 nan 8.190 nan 0.000 0.447 364 Q N -0.635 118.857 119.800 -0.514 0.000 2.096 364 Q HA -0.303 4.038 4.340 0.002 0.000 0.204 364 Q C 2.398 178.189 176.000 -0.350 0.000 0.982 364 Q CA 2.129 57.465 55.803 -0.779 0.000 0.850 364 Q CB -0.214 27.940 28.738 -0.973 0.000 0.901 364 Q HN 0.706 nan 8.270 nan 0.000 0.422 365 Q N 0.162 119.793 119.800 -0.282 0.000 2.046 365 Q HA -0.151 4.190 4.340 0.002 0.000 0.200 365 Q C 2.114 177.953 176.000 -0.268 0.000 0.975 365 Q CA 1.463 57.159 55.803 -0.178 0.000 0.836 365 Q CB 0.146 28.849 28.738 -0.058 0.000 0.896 365 Q HN 0.246 nan 8.270 nan 0.000 0.428 366 V N 0.998 120.612 119.914 -0.500 0.000 2.295 366 V HA -0.273 3.848 4.120 0.002 0.000 0.246 366 V C 2.348 178.119 176.094 -0.538 0.000 1.049 366 V CA 1.361 63.244 62.300 -0.695 0.000 1.024 366 V CB -0.552 30.424 31.823 -1.413 0.000 0.648 366 V HN 0.304 nan 8.190 nan 0.000 0.447 367 L N 0.048 120.979 121.223 -0.488 0.000 2.017 367 L HA -0.133 4.208 4.340 0.002 0.000 0.208 367 L C 2.643 179.155 176.870 -0.597 0.000 1.073 367 L CA 2.014 56.443 54.840 -0.685 0.000 0.745 367 L CB -1.008 40.752 42.059 -0.498 0.000 0.894 367 L HN 0.249 nan 8.230 nan 0.000 0.432 368 S N -0.462 115.215 115.700 -0.038 0.000 2.356 368 S HA -0.150 4.321 4.470 0.002 0.000 0.223 368 S C 2.079 176.747 174.600 0.113 0.000 1.032 368 S CA 1.190 59.590 58.200 0.334 0.000 1.005 368 S CB -0.922 62.410 63.200 0.220 0.000 0.867 368 S HN 0.598 nan 8.310 nan 0.000 0.449 369 G N 1.353 110.109 108.800 -0.072 0.000 2.446 369 G HA2 -0.114 3.847 3.960 0.002 0.000 0.217 369 G HA3 -0.114 3.847 3.960 0.002 0.000 0.217 369 G C 1.470 176.319 174.900 -0.085 0.000 1.168 369 G CA 1.048 46.098 45.100 -0.084 0.000 0.771 369 G HN 0.567 nan 8.290 nan 0.000 0.551 370 G N -0.049 108.635 108.800 -0.193 0.000 2.446 370 G HA2 -0.219 3.742 3.960 0.002 0.000 0.217 370 G HA3 -0.219 3.742 3.960 0.002 0.000 0.217 370 G C 1.589 176.465 174.900 -0.039 0.000 1.168 370 G CA 0.966 45.953 45.100 -0.190 0.000 0.771 370 G HN 0.409 nan 8.290 nan 0.000 0.551 371 W N 1.058 122.397 121.300 0.065 0.000 2.425 371 W HA 0.118 4.779 4.660 0.002 0.000 0.277 371 W C 2.588 179.057 176.519 -0.084 0.000 1.231 371 W CA 0.444 57.814 57.345 0.041 0.000 1.248 371 W CB -0.473 29.043 29.460 0.094 0.000 1.117 371 W HN 0.214 nan 8.180 nan 0.000 0.568 372 R N 0.228 120.819 120.500 0.151 0.000 2.115 372 R HA -0.087 4.254 4.340 0.002 0.000 0.226 372 R C 1.301 177.405 176.300 -0.327 0.000 1.100 372 R CA 0.840 56.884 56.100 -0.093 0.000 0.980 372 R CB -0.299 29.971 30.300 -0.049 0.000 0.875 372 R HN 0.116 nan 8.270 nan 0.000 0.445 373 E N -0.058 120.051 120.200 -0.152 0.000 2.489 373 E HA -0.026 4.325 4.350 0.002 0.000 0.193 373 E C -0.521 176.119 176.600 0.067 0.000 1.057 373 E CA -0.202 56.167 56.400 -0.052 0.000 0.866 373 E CB -0.024 29.677 29.700 0.001 0.000 0.916 373 E HN 0.222 nan 8.360 nan 0.000 0.500 374 Y N -0.492 119.894 120.300 0.144 0.000 3.477 374 Y HA -0.248 4.303 4.550 0.002 0.000 0.216 374 Y C 0.517 176.480 175.900 0.105 0.000 1.296 374 Y CA 0.324 58.503 58.100 0.131 0.000 1.535 374 Y CB -2.533 35.980 38.460 0.088 0.000 1.482 374 Y HN 0.160 nan 8.280 nan 0.000 0.597 375 I N -2.430 118.260 120.570 0.199 0.000 3.067 375 I HA 0.772 4.943 4.170 0.002 0.000 0.312 375 I C 0.322 176.519 176.117 0.133 0.000 1.073 375 I CA -1.833 59.537 61.300 0.117 0.000 1.016 375 I CB 1.933 39.961 38.000 0.048 0.000 1.227 375 I HN -0.058 nan 8.210 nan 0.000 0.456 376 R N 1.949 122.455 120.500 0.010 0.000 2.441 376 R HA 0.667 5.008 4.340 0.002 0.000 0.284 376 R C -1.166 175.176 176.300 0.069 0.000 1.070 376 R CA -0.698 55.404 56.100 0.004 0.000 1.047 376 R CB 1.570 31.587 30.300 -0.473 0.000 1.016 376 R HN 0.481 nan 8.270 nan 0.000 0.477 377 V N 1.792 121.840 119.914 0.222 0.000 2.531 377 V HA 0.640 4.761 4.120 0.002 0.000 0.301 377 V C -0.275 175.980 176.094 0.268 0.000 1.034 377 V CA -0.715 61.652 62.300 0.112 0.000 0.865 377 V CB 1.574 33.287 31.823 -0.183 0.000 0.995 377 V HN 0.981 nan 8.190 nan 0.000 0.424 378 A N 3.179 126.137 122.820 0.230 0.000 2.389 378 A HA 1.091 5.412 4.320 0.002 0.000 0.293 378 A C 0.071 177.788 177.584 0.222 0.000 1.186 378 A CA -0.198 52.007 52.037 0.281 0.000 0.828 378 A CB 2.072 21.251 19.000 0.297 0.000 1.369 378 A HN 1.455 nan 8.150 nan 0.000 0.446 379 G N -1.110 107.823 108.800 0.221 0.000 2.559 379 G HA2 0.587 4.548 3.960 0.002 0.000 0.291 379 G HA3 0.587 4.548 3.960 0.002 0.000 0.291 379 G C -1.662 173.330 174.900 0.152 0.000 1.424 379 G CA -0.583 44.624 45.100 0.177 0.000 0.786 379 G HN 0.740 nan 8.290 nan 0.000 0.485 380 E N -0.307 119.939 120.200 0.077 0.000 2.433 380 E HA 0.355 4.706 4.350 0.002 0.000 0.273 380 E C -0.740 175.854 176.600 -0.011 0.000 0.950 380 E CA -1.159 55.275 56.400 0.057 0.000 0.796 380 E CB 1.905 31.616 29.700 0.018 0.000 1.330 380 E HN 0.608 nan 8.360 nan 0.000 0.455 381 N N 0.362 119.037 118.700 -0.041 0.000 2.518 381 N HA 0.193 4.934 4.740 0.002 0.000 0.283 381 N C 0.132 175.554 175.510 -0.147 0.000 1.119 381 N CA -0.051 52.932 53.050 -0.112 0.000 0.983 381 N CB 1.712 40.093 38.487 -0.176 0.000 1.139 381 N HN 0.539 nan 8.380 nan 0.000 0.465 382 A N 2.498 125.228 122.820 -0.150 0.000 1.872 382 A HA 0.119 4.440 4.320 0.002 0.000 0.214 382 A C 1.005 178.509 177.584 -0.134 0.000 1.187 382 A CA 0.707 52.671 52.037 -0.123 0.000 0.614 382 A CB -0.211 18.733 19.000 -0.094 0.000 0.826 382 A HN 0.671 nan 8.150 nan 0.000 0.442 383 L N -1.301 119.816 121.223 -0.177 0.000 2.323 383 L HA 0.425 4.766 4.340 0.002 0.000 0.265 383 L C -2.734 173.971 176.870 -0.275 0.000 1.012 383 L CA -2.542 52.182 54.840 -0.193 0.000 0.820 383 L CB 1.686 43.638 42.059 -0.179 0.000 1.334 383 L HN -0.118 nan 8.230 nan 0.000 0.427 384 P HA 0.145 nan 4.420 nan 0.000 0.264 384 P C -1.134 175.882 177.300 -0.474 0.000 1.193 384 P CA 0.028 62.877 63.100 -0.418 0.000 0.763 384 P CB 0.450 31.978 31.700 -0.286 0.000 0.810 385 R N 2.840 122.951 120.500 -0.648 0.000 2.626 385 R HA 0.300 4.641 4.340 0.002 0.000 0.274 385 R C -0.652 175.234 176.300 -0.692 0.000 1.031 385 R CA -0.509 55.259 56.100 -0.553 0.000 0.898 385 R CB 1.353 31.393 30.300 -0.433 0.000 1.222 385 R HN 0.473 nan 8.270 nan 0.000 0.455 386 Y N -0.544 119.683 120.300 -0.121 0.000 2.563 386 Y HA 0.089 4.640 4.550 0.001 0.000 0.250 386 Y C 0.532 176.429 175.900 -0.005 0.000 1.126 386 Y CA -0.678 57.419 58.100 -0.005 0.000 1.231 386 Y CB 0.757 39.268 38.460 0.086 0.000 1.288 386 Y HN 0.461 nan 8.280 nan 0.000 0.537 387 D N 0.042 120.417 120.400 -0.041 0.000 2.283 387 D HA 0.282 4.923 4.640 0.002 0.000 0.248 387 D C 1.184 177.492 176.300 0.014 0.000 1.072 387 D CA 0.263 54.273 54.000 0.017 0.000 0.929 387 D CB 2.178 42.968 40.800 -0.017 0.000 1.182 387 D HN 0.091 nan 8.370 nan 0.000 0.433 388 A N 2.030 124.935 122.820 0.141 0.000 1.902 388 A HA -0.170 4.151 4.320 0.002 0.000 0.217 388 A C 2.147 179.789 177.584 0.097 0.000 1.181 388 A CA 1.902 54.056 52.037 0.194 0.000 0.623 388 A CB -1.044 18.032 19.000 0.127 0.000 0.818 388 A HN 0.714 nan 8.150 nan 0.000 0.443 389 T N 0.356 114.926 114.554 0.026 0.000 2.699 389 T HA -0.116 4.235 4.350 0.002 0.000 0.268 389 T C 2.166 176.843 174.700 -0.038 0.000 1.036 389 T CA 1.775 63.875 62.100 -0.001 0.000 1.147 389 T CB -0.435 68.421 68.868 -0.020 0.000 0.862 389 T HN 0.626 nan 8.240 nan 0.000 0.446 390 A N 0.272 123.015 122.820 -0.129 0.000 1.898 390 A HA -0.032 4.289 4.320 0.002 0.000 0.216 390 A C 2.032 179.500 177.584 -0.195 0.000 1.181 390 A CA 1.220 53.126 52.037 -0.218 0.000 0.620 390 A CB -0.904 17.869 19.000 -0.378 0.000 0.819 390 A HN 0.532 nan 8.150 nan 0.000 0.442 391 Y N 0.813 121.039 120.300 -0.124 0.000 2.242 391 Y HA -0.153 4.398 4.550 0.001 0.000 0.291 391 Y C 2.405 178.309 175.900 0.007 0.000 1.137 391 Y CA 1.267 59.252 58.100 -0.192 0.000 1.181 391 Y CB -0.524 37.807 38.460 -0.215 0.000 0.989 391 Y HN 0.302 nan 8.280 nan 0.000 0.527 392 N N 0.011 118.814 118.700 0.172 0.000 2.166 392 N HA -0.189 4.552 4.740 0.002 0.000 0.186 392 N C 1.871 177.452 175.510 0.119 0.000 1.019 392 N CA 1.334 54.463 53.050 0.133 0.000 0.856 392 N CB -0.444 38.096 38.487 0.088 0.000 0.993 392 N HN 0.357 nan 8.380 nan 0.000 0.426 393 Q N 0.916 120.768 119.800 0.086 0.000 2.119 393 Q HA 0.086 4.427 4.340 0.002 0.000 0.201 393 Q C 1.947 178.026 176.000 0.131 0.000 0.972 393 Q CA 1.022 56.878 55.803 0.088 0.000 0.847 393 Q CB -0.244 28.513 28.738 0.032 0.000 0.903 393 Q HN 0.401 nan 8.270 nan 0.000 0.433 394 I N -0.254 120.398 120.570 0.138 0.000 2.179 394 I HA -0.275 3.896 4.170 0.002 0.000 0.242 394 I C 2.076 178.344 176.117 0.253 0.000 1.088 394 I CA 1.160 62.584 61.300 0.208 0.000 1.357 394 I CB -0.344 37.812 38.000 0.259 0.000 1.051 394 I HN 0.223 nan 8.210 nan 0.000 0.409 395 I N 0.300 121.029 120.570 0.265 0.000 2.264 395 I HA -0.308 3.863 4.170 0.002 0.000 0.248 395 I C 2.535 178.720 176.117 0.113 0.000 1.111 395 I CA 1.136 62.538 61.300 0.171 0.000 1.382 395 I CB -0.317 37.762 38.000 0.132 0.000 1.060 395 I HN 0.266 nan 8.210 nan 0.000 0.418 396 L N 1.160 122.461 121.223 0.131 0.000 2.017 396 L HA -0.216 4.125 4.340 0.002 0.000 0.208 396 L C 2.112 179.070 176.870 0.147 0.000 1.073 396 L CA 1.992 56.904 54.840 0.120 0.000 0.745 396 L CB -0.936 41.227 42.059 0.173 0.000 0.894 396 L HN 0.219 nan 8.230 nan 0.000 0.432 397 N N 0.001 118.856 118.700 0.258 0.000 2.381 397 N HA -0.074 4.667 4.740 0.002 0.000 0.182 397 N C 1.735 177.406 175.510 0.267 0.000 1.025 397 N CA 1.218 54.486 53.050 0.364 0.000 0.888 397 N CB -0.242 38.471 38.487 0.377 0.000 0.965 397 N HN 0.562 nan 8.380 nan 0.000 0.438 398 A N 0.562 123.494 122.820 0.187 0.000 2.014 398 A HA 0.038 4.359 4.320 0.002 0.000 0.218 398 A C 1.064 178.693 177.584 0.074 0.000 1.163 398 A CA 0.891 53.023 52.037 0.158 0.000 0.652 398 A CB 0.161 19.226 19.000 0.108 0.000 0.808 398 A HN 0.134 nan 8.150 nan 0.000 0.449 399 R N -1.212 119.279 120.500 -0.015 0.000 2.718 399 R HA 0.210 4.551 4.340 0.002 0.000 0.266 399 R C -2.478 173.684 176.300 -0.231 0.000 1.776 399 R CA -1.459 54.564 56.100 -0.128 0.000 1.567 399 R CB 1.038 31.275 30.300 -0.105 0.000 1.336 399 R HN 0.118 nan 8.270 nan 0.000 0.619 400 P HA -0.215 nan 4.420 nan 0.000 0.217 400 P C 0.415 177.394 177.300 -0.534 0.000 1.151 400 P CA 1.501 64.092 63.100 -0.848 0.000 0.849 400 P CB 0.314 31.040 31.700 -1.622 0.000 0.787 401 Q N -1.162 118.408 119.800 -0.384 0.000 2.189 401 Q HA 0.359 4.700 4.340 0.002 0.000 0.221 401 Q C 0.823 176.728 176.000 -0.160 0.000 0.848 401 Q CA 0.007 55.672 55.803 -0.230 0.000 1.007 401 Q CB 0.345 28.956 28.738 -0.212 0.000 1.116 401 Q HN 0.139 nan 8.270 nan 0.000 0.481 402 G N 0.398 109.106 108.800 -0.154 0.000 2.698 402 G HA2 -0.265 3.696 3.960 0.002 0.000 0.233 402 G HA3 -0.265 3.696 3.960 0.002 0.000 0.233 402 G C -0.277 174.562 174.900 -0.103 0.000 1.352 402 G CA -0.615 44.422 45.100 -0.104 0.000 0.879 402 G HN 0.138 nan 8.290 nan 0.000 0.567 403 V N 1.118 120.986 119.914 -0.076 0.000 2.834 403 V HA 0.490 4.611 4.120 0.002 0.000 0.301 403 V C 0.608 176.663 176.094 -0.065 0.000 1.066 403 V CA 0.153 62.413 62.300 -0.068 0.000 1.052 403 V CB 1.629 33.420 31.823 -0.054 0.000 1.021 403 V HN 0.953 nan 8.190 nan 0.000 0.480 404 N N 2.936 121.599 118.700 -0.061 0.000 2.446 404 N HA 0.266 5.007 4.740 0.002 0.000 0.265 404 N C 0.494 175.979 175.510 -0.042 0.000 0.975 404 N CA -0.442 52.574 53.050 -0.055 0.000 0.928 404 N CB 1.012 39.461 38.487 -0.064 0.000 1.160 404 N HN 0.480 nan 8.380 nan 0.000 0.495 405 N N 2.650 121.328 118.700 -0.036 0.000 2.453 405 N HA -0.046 4.695 4.740 0.002 0.000 0.183 405 N C -0.530 174.963 175.510 -0.027 0.000 1.041 405 N CA 0.805 53.837 53.050 -0.029 0.000 0.900 405 N CB -0.108 38.364 38.487 -0.026 0.000 0.961 405 N HN 0.648 nan 8.380 nan 0.000 0.443 406 N N 0.022 118.705 118.700 -0.029 0.000 2.644 406 N HA 0.423 5.164 4.740 0.002 0.000 0.313 406 N C -0.134 175.359 175.510 -0.028 0.000 1.863 406 N CA -0.343 52.691 53.050 -0.026 0.000 0.918 406 N CB 1.288 39.761 38.487 -0.024 0.000 1.320 406 N HN 0.079 nan 8.380 nan 0.000 0.490 407 G N 1.333 110.116 108.800 -0.029 0.000 2.361 407 G HA2 -0.066 3.895 3.960 0.002 0.000 0.331 407 G HA3 -0.066 3.895 3.960 0.002 0.000 0.331 407 G C -3.275 171.606 174.900 -0.032 0.000 1.324 407 G CA -1.096 43.986 45.100 -0.029 0.000 0.984 407 G HN -0.079 nan 8.290 nan 0.000 0.586 408 P HA 0.279 nan 4.420 nan 0.000 0.269 408 P C -2.437 174.825 177.300 -0.064 0.000 1.215 408 P CA -0.777 62.305 63.100 -0.030 0.000 0.780 408 P CB 0.212 31.903 31.700 -0.015 0.000 0.898 409 P HA 0.009 nan 4.420 nan 0.000 0.267 409 P C 0.704 177.892 177.300 -0.187 0.000 1.200 409 P CA 0.071 63.094 63.100 -0.129 0.000 0.772 409 P CB 0.599 32.217 31.700 -0.136 0.000 0.855 410 K N 1.096 121.370 120.400 -0.210 0.000 2.103 410 K HA 0.033 4.354 4.320 0.002 0.000 0.207 410 K C 0.782 177.124 176.600 -0.430 0.000 1.048 410 K CA 1.426 57.555 56.287 -0.262 0.000 0.930 410 K CB -0.321 32.042 32.500 -0.227 0.000 0.716 410 K HN 0.479 nan 8.250 nan 0.000 0.444 411 L N -0.551 120.363 121.223 -0.515 0.000 2.445 411 L HA 0.408 4.749 4.340 0.002 0.000 0.262 411 L C -1.038 175.439 176.870 -0.655 0.000 0.974 411 L CA -0.802 53.525 54.840 -0.855 0.000 0.822 411 L CB 2.450 43.908 42.059 -1.002 0.000 1.339 411 L HN -0.004 nan 8.230 nan 0.000 0.409 412 S N 1.816 117.085 115.700 -0.718 0.000 2.556 412 S HA 0.553 5.024 4.470 0.002 0.000 0.280 412 S C -1.011 173.667 174.600 0.130 0.000 1.141 412 S CA -1.034 57.041 58.200 -0.209 0.000 0.883 412 S CB 1.315 64.456 63.200 -0.099 0.000 1.103 412 S HN 0.523 nan 8.310 nan 0.000 0.453 413 M N 2.316 122.131 119.600 0.359 0.000 2.226 413 M HA 0.338 4.819 4.480 0.002 0.000 0.324 413 M C 0.613 177.183 176.300 0.450 0.000 1.112 413 M CA -0.377 55.231 55.300 0.515 0.000 1.176 413 M CB 0.126 32.974 32.600 0.412 0.000 1.430 413 M HN 0.837 nan 8.290 nan 0.000 0.462 414 F N 0.674 120.818 119.950 0.322 0.000 2.325 414 F HA 0.225 4.753 4.527 0.001 0.000 0.299 414 F C 0.926 176.984 175.800 0.429 0.000 1.090 414 F CA 0.943 59.130 58.000 0.312 0.000 1.392 414 F CB 0.245 39.371 39.000 0.210 0.000 1.053 414 F HN 0.570 nan 8.300 nan 0.000 0.521 415 G N -0.885 108.132 108.800 0.361 0.000 2.356 415 G HA2 0.469 4.430 3.960 0.002 0.000 0.294 415 G HA3 0.469 4.430 3.960 0.002 0.000 0.294 415 G C -2.276 172.817 174.900 0.321 0.000 1.423 415 G CA -0.503 44.788 45.100 0.318 0.000 0.806 415 G HN -0.034 nan 8.290 nan 0.000 0.527 416 V N 0.073 120.178 119.914 0.320 0.000 2.686 416 V HA 0.714 4.835 4.120 0.002 0.000 0.306 416 V C -0.367 175.962 176.094 0.392 0.000 1.065 416 V CA -0.619 61.870 62.300 0.315 0.000 0.894 416 V CB 2.207 34.200 31.823 0.283 0.000 1.004 416 V HN 0.886 nan 8.190 nan 0.000 0.424 417 T N 4.402 119.167 114.554 0.351 0.000 2.772 417 T HA 0.429 4.780 4.350 0.002 0.000 0.288 417 T C -0.923 173.977 174.700 0.333 0.000 0.994 417 T CA -0.199 62.116 62.100 0.358 0.000 0.951 417 T CB 0.637 69.653 68.868 0.247 0.000 0.933 417 T HN 0.527 nan 8.240 nan 0.000 0.447 418 Y N 4.116 124.582 120.300 0.276 0.000 2.316 418 Y HA 0.588 5.138 4.550 0.001 0.000 0.331 418 Y C -0.514 175.474 175.900 0.146 0.000 1.083 418 Y CA -1.068 57.175 58.100 0.238 0.000 1.206 418 Y CB 0.626 39.332 38.460 0.410 0.000 1.195 418 Y HN 0.586 nan 8.280 nan 0.000 0.497 419 L N 8.475 129.384 121.223 -0.522 0.000 2.287 419 L HA 0.636 4.977 4.340 0.002 0.000 0.287 419 L C -0.957 175.454 176.870 -0.765 0.000 1.022 419 L CA -0.519 54.078 54.840 -0.405 0.000 0.814 419 L CB 0.517 42.418 42.059 -0.264 0.000 1.217 419 L HN 0.878 nan 8.230 nan 0.000 0.420 420 R N 4.207 124.523 120.500 -0.308 0.000 2.710 420 R HA 0.388 4.729 4.340 0.002 0.000 0.270 420 R C -1.806 174.574 176.300 0.134 0.000 1.021 420 R CA -0.938 55.153 56.100 -0.014 0.000 0.889 420 R CB 1.537 31.831 30.300 -0.009 0.000 1.243 420 R HN 0.614 nan 8.270 nan 0.000 0.464 421 L N 2.799 124.109 121.223 0.144 0.000 2.455 421 L HA 0.375 4.716 4.340 0.002 0.000 0.272 421 L C -0.892 176.032 176.870 0.089 0.000 1.174 421 L CA 1.219 56.129 54.840 0.116 0.000 0.869 421 L CB 0.845 42.962 42.059 0.096 0.000 1.130 421 L HN 0.817 nan 8.230 nan 0.000 0.474 422 S N 1.865 117.607 115.700 0.070 0.000 2.636 422 S HA 0.371 4.842 4.470 0.002 0.000 0.266 422 S C 0.082 174.681 174.600 -0.002 0.000 1.147 422 S CA -0.603 57.625 58.200 0.046 0.000 0.815 422 S CB 0.614 63.861 63.200 0.078 0.000 1.119 422 S HN 0.593 nan 8.310 nan 0.000 0.470 423 D N 0.644 121.030 120.400 -0.024 0.000 2.264 423 D HA -0.022 4.619 4.640 0.002 0.000 0.208 423 D C 0.755 177.001 176.300 -0.090 0.000 0.966 423 D CA 1.052 55.012 54.000 -0.067 0.000 0.864 423 D CB -0.215 40.550 40.800 -0.058 0.000 0.933 423 D HN 0.532 nan 8.370 nan 0.000 0.499 424 D N 0.464 120.818 120.400 -0.077 0.000 2.144 424 D HA -0.117 4.524 4.640 0.002 0.000 0.199 424 D C 2.114 178.263 176.300 -0.251 0.000 0.984 424 D CA 0.245 54.141 54.000 -0.174 0.000 0.834 424 D CB -0.205 40.488 40.800 -0.177 0.000 0.955 424 D HN 0.161 nan 8.370 nan 0.000 0.465 425 L N 0.138 121.314 121.223 -0.079 0.000 2.131 425 L HA -0.098 4.243 4.340 0.002 0.000 0.210 425 L C 1.618 178.482 176.870 -0.010 0.000 1.092 425 L CA 1.313 56.176 54.840 0.039 0.000 0.759 425 L CB -0.296 41.844 42.059 0.135 0.000 0.903 425 L HN -0.050 nan 8.230 nan 0.000 0.435 426 L N -0.418 120.714 121.223 -0.151 0.000 2.552 426 L HA 0.085 4.426 4.340 0.002 0.000 0.227 426 L C 1.179 177.926 176.870 -0.206 0.000 1.146 426 L CA 0.577 55.206 54.840 -0.352 0.000 0.858 426 L CB -0.985 40.834 42.059 -0.399 0.000 0.969 426 L HN 0.373 nan 8.230 nan 0.000 0.451 427 Q N -0.204 119.530 119.800 -0.109 0.000 2.395 427 Q HA -0.092 4.249 4.340 0.002 0.000 0.271 427 Q C 1.300 177.312 176.000 0.021 0.000 1.026 427 Q CA 0.193 55.956 55.803 -0.067 0.000 0.900 427 Q CB 0.782 29.465 28.738 -0.091 0.000 1.266 427 Q HN 0.104 nan 8.270 nan 0.000 0.430 428 K N 1.079 121.497 120.400 0.029 0.000 2.032 428 K HA -0.277 4.044 4.320 0.002 0.000 0.218 428 K C 1.895 178.557 176.600 0.103 0.000 1.054 428 K CA 2.280 58.617 56.287 0.083 0.000 0.941 428 K CB -0.043 32.484 32.500 0.045 0.000 0.720 428 K HN 0.572 nan 8.250 nan 0.000 0.449 429 S N 1.077 116.811 115.700 0.058 0.000 2.351 429 S HA -0.149 4.322 4.470 0.002 0.000 0.220 429 S C 1.615 176.271 174.600 0.093 0.000 1.035 429 S CA 1.581 59.816 58.200 0.059 0.000 1.031 429 S CB -0.577 62.641 63.200 0.031 0.000 0.928 429 S HN 0.354 nan 8.310 nan 0.000 0.433 430 N N 0.972 119.720 118.700 0.080 0.000 2.069 430 N HA -0.055 4.686 4.740 0.002 0.000 0.191 430 N C 1.435 177.098 175.510 0.255 0.000 1.031 430 N CA 0.988 54.123 53.050 0.140 0.000 0.852 430 N CB -0.650 37.815 38.487 -0.036 0.000 1.018 430 N HN 0.329 nan 8.380 nan 0.000 0.423 431 F N 2.395 122.378 119.950 0.054 0.000 2.171 431 F HA -0.035 4.494 4.527 0.003 0.000 0.300 431 F C 1.910 177.773 175.800 0.107 0.000 1.090 431 F CA 0.990 59.041 58.000 0.086 0.000 1.293 431 F CB -0.310 38.707 39.000 0.027 0.000 1.013 431 F HN 0.013 nan 8.300 nan 0.000 0.486 432 N N 0.545 119.294 118.700 0.082 0.000 2.244 432 N HA -0.127 4.614 4.740 0.002 0.000 0.183 432 N C 2.056 177.521 175.510 -0.076 0.000 1.016 432 N CA 1.536 54.562 53.050 -0.039 0.000 0.866 432 N CB -0.266 38.232 38.487 0.018 0.000 0.980 432 N HN 0.357 nan 8.380 nan 0.000 0.430 433 I N -0.345 120.228 120.570 0.005 0.000 2.406 433 I HA -0.182 3.989 4.170 0.002 0.000 0.249 433 I C 2.010 178.004 176.117 -0.205 0.000 1.122 433 I CA 0.513 61.801 61.300 -0.019 0.000 1.431 433 I CB -0.230 37.861 38.000 0.152 0.000 1.087 433 I HN -0.055 nan 8.210 nan 0.000 0.424 434 F N 2.387 122.152 119.950 -0.309 0.000 2.171 434 F HA -0.186 4.342 4.527 0.003 0.000 0.300 434 F C 2.376 177.894 175.800 -0.471 0.000 1.090 434 F CA 1.658 59.365 58.000 -0.487 0.000 1.293 434 F CB -0.205 38.632 39.000 -0.272 0.000 1.013 434 F HN -0.155 nan 8.300 nan 0.000 0.486 435 K N 0.197 120.308 120.400 -0.482 0.000 2.147 435 K HA -0.176 4.145 4.320 0.002 0.000 0.205 435 K C 2.001 178.319 176.600 -0.471 0.000 1.049 435 K CA 1.594 57.562 56.287 -0.532 0.000 0.936 435 K CB -0.163 32.063 32.500 -0.456 0.000 0.722 435 K HN 0.313 nan 8.250 nan 0.000 0.446 436 K N 0.110 120.284 120.400 -0.378 0.000 2.103 436 K HA -0.118 4.203 4.320 0.002 0.000 0.204 436 K C 1.971 178.353 176.600 -0.363 0.000 1.052 436 K CA 1.079 57.185 56.287 -0.302 0.000 0.945 436 K CB -0.203 32.181 32.500 -0.194 0.000 0.722 436 K HN 0.073 nan 8.250 nan 0.000 0.443 437 F N 1.889 121.429 119.950 -0.684 0.000 2.102 437 F HA -0.218 4.310 4.527 0.001 0.000 0.298 437 F C 1.803 177.173 175.800 -0.717 0.000 1.105 437 F CA 1.165 58.722 58.000 -0.739 0.000 1.239 437 F CB -0.471 37.798 39.000 -1.218 0.000 0.991 437 F HN -0.294 nan 8.300 nan 0.000 0.474 438 V N 0.692 119.935 119.914 -1.118 0.000 2.295 438 V HA -0.282 3.839 4.120 0.002 0.000 0.246 438 V C 2.450 177.938 176.094 -1.009 0.000 1.049 438 V CA 1.804 63.358 62.300 -1.243 0.000 1.024 438 V CB -1.012 30.204 31.823 -1.012 0.000 0.648 438 V HN 0.473 nan 8.190 nan 0.000 0.447 439 L N 0.210 121.051 121.223 -0.637 0.000 2.012 439 L HA -0.162 4.179 4.340 0.002 0.000 0.210 439 L C 2.449 179.097 176.870 -0.370 0.000 1.073 439 L CA 2.006 56.606 54.840 -0.400 0.000 0.748 439 L CB -0.764 41.135 42.059 -0.267 0.000 0.891 439 L HN 0.158 nan 8.230 nan 0.000 0.431 440 K N -0.992 119.178 120.400 -0.384 0.000 2.097 440 K HA -0.073 4.248 4.320 0.002 0.000 0.205 440 K C 2.043 178.433 176.600 -0.349 0.000 1.050 440 K CA 1.261 57.373 56.287 -0.290 0.000 0.938 440 K CB -0.543 31.834 32.500 -0.205 0.000 0.718 440 K HN 0.336 nan 8.250 nan 0.000 0.442 441 M N 0.099 119.354 119.600 -0.574 0.000 2.213 441 M HA -0.116 4.365 4.480 0.002 0.000 0.263 441 M C 1.362 177.364 176.300 -0.496 0.000 1.062 441 M CA 1.497 56.449 55.300 -0.580 0.000 1.105 441 M CB -0.920 31.132 32.600 -0.914 0.000 1.385 441 M HN 0.286 nan 8.290 nan 0.000 0.417 442 H N -0.185 118.472 119.070 -0.688 0.000 2.536 442 H HA 0.305 4.862 4.556 0.002 0.000 0.276 442 H C 0.768 175.864 175.328 -0.387 0.000 1.019 442 H CA 0.017 55.553 56.048 -0.853 0.000 1.159 442 H CB 0.142 29.385 29.762 -0.864 0.000 1.373 442 H HN 0.460 nan 8.280 nan 0.000 0.584 443 A N 1.591 124.306 122.820 -0.175 0.000 2.791 443 A HA -0.276 4.045 4.320 0.002 0.000 0.292 443 A C 0.542 178.084 177.584 -0.069 0.000 1.487 443 A CA 0.807 52.786 52.037 -0.098 0.000 0.760 443 A CB -1.917 17.055 19.000 -0.048 0.000 1.031 443 A HN 0.746 nan 8.150 nan 0.000 0.503 444 D N -2.530 117.814 120.400 -0.093 0.000 3.079 444 D HA -0.165 4.476 4.640 0.002 0.000 0.214 444 D C 0.278 176.556 176.300 -0.038 0.000 1.145 444 D CA 2.019 55.976 54.000 -0.072 0.000 0.958 444 D CB -0.516 40.249 40.800 -0.059 0.000 1.117 444 D HN 0.881 nan 8.370 nan 0.000 0.416 445 Q N 0.478 120.273 119.800 -0.008 0.000 2.193 445 Q HA 0.396 4.737 4.340 0.002 0.000 0.246 445 Q C 0.203 176.237 176.000 0.056 0.000 0.959 445 Q CA -0.366 55.455 55.803 0.030 0.000 0.904 445 Q CB 1.026 29.811 28.738 0.079 0.000 1.238 445 Q HN 0.040 nan 8.270 nan 0.000 0.469 446 D N 0.297 120.729 120.400 0.053 0.000 2.358 446 D HA 0.055 4.696 4.640 0.002 0.000 0.244 446 D C -0.323 176.056 176.300 0.132 0.000 1.163 446 D CA -0.261 53.792 54.000 0.087 0.000 0.945 446 D CB 0.283 41.116 40.800 0.056 0.000 1.152 446 D HN 0.328 nan 8.370 nan 0.000 0.451 447 Y N 0.752 121.090 120.300 0.063 0.000 2.904 447 Y HA 0.016 4.567 4.550 0.002 0.000 0.336 447 Y C -0.339 175.553 175.900 -0.015 0.000 1.263 447 Y CA -0.447 57.674 58.100 0.036 0.000 1.547 447 Y CB 0.275 38.773 38.460 0.064 0.000 1.272 447 Y HN 0.247 nan 8.280 nan 0.000 0.596 448 C N 7.363 126.186 119.300 -0.796 0.000 2.364 448 C HA 0.733 5.194 4.460 0.002 0.000 0.324 448 C C 1.111 175.591 174.990 -0.850 0.000 1.234 448 C CA -0.095 58.459 59.018 -0.774 0.000 1.417 448 C CB -0.283 27.097 27.740 -0.601 0.000 2.101 448 C HN 1.093 nan 8.230 nan 0.000 0.466 449 A N 4.349 126.750 122.820 -0.697 0.000 2.016 449 A HA 0.053 4.374 4.320 0.002 0.000 0.217 449 A C 1.016 178.479 177.584 -0.203 0.000 1.162 449 A CA 0.993 52.813 52.037 -0.362 0.000 0.662 449 A CB -0.377 18.522 19.000 -0.169 0.000 0.812 449 A HN 0.883 nan 8.150 nan 0.000 0.450 450 N N 0.210 118.759 118.700 -0.251 0.000 2.437 450 N HA 0.290 5.031 4.740 0.002 0.000 0.243 450 N C -2.211 173.011 175.510 -0.481 0.000 1.041 450 N CA -2.227 50.666 53.050 -0.263 0.000 0.940 450 N CB 1.073 39.433 38.487 -0.211 0.000 1.133 450 N HN -0.108 nan 8.380 nan 0.000 0.506 451 P HA -0.215 nan 4.420 nan 0.000 0.218 451 P C 1.070 177.881 177.300 -0.815 0.000 1.146 451 P CA 1.099 63.565 63.100 -1.056 0.000 0.813 451 P CB 0.227 31.666 31.700 -0.435 0.000 0.778 452 Q N 0.408 119.952 119.800 -0.427 0.000 2.124 452 Q HA -0.208 4.133 4.340 0.002 0.000 0.202 452 Q C 1.827 177.663 176.000 -0.274 0.000 0.977 452 Q CA 1.572 57.215 55.803 -0.266 0.000 0.850 452 Q CB -0.273 28.363 28.738 -0.169 0.000 0.901 452 Q HN 0.182 nan 8.270 nan 0.000 0.429 453 K N 0.006 120.209 120.400 -0.328 0.000 2.211 453 K HA -0.172 4.149 4.320 0.002 0.000 0.204 453 K C 0.735 177.228 176.600 -0.178 0.000 1.047 453 K CA 1.440 57.586 56.287 -0.234 0.000 0.935 453 K CB -0.045 32.315 32.500 -0.234 0.000 0.728 453 K HN 0.491 nan 8.250 nan 0.000 0.452 454 Y N -1.494 118.649 120.300 -0.263 0.000 2.734 454 Y HA 0.385 4.936 4.550 0.001 0.000 0.278 454 Y C -0.456 175.422 175.900 -0.036 0.000 1.108 454 Y CA -1.024 56.939 58.100 -0.229 0.000 1.211 454 Y CB -1.005 37.179 38.460 -0.459 0.000 1.182 454 Y HN 0.015 nan 8.280 nan 0.000 0.547 455 N N 1.021 119.726 118.700 0.009 0.000 2.747 455 N HA -0.245 4.496 4.740 0.002 0.000 0.249 455 N C -1.246 174.416 175.510 0.254 0.000 1.107 455 N CA 0.618 53.735 53.050 0.112 0.000 0.707 455 N CB -1.058 37.521 38.487 0.154 0.000 1.054 455 N HN 0.556 nan 8.380 nan 0.000 0.555 456 H N 0.207 119.190 119.070 -0.144 0.000 2.643 456 H HA 0.479 5.036 4.556 0.002 0.000 0.259 456 H C 0.074 175.380 175.328 -0.038 0.000 1.298 456 H CA -0.126 55.902 56.048 -0.032 0.000 1.301 456 H CB 0.560 30.253 29.762 -0.114 0.000 1.422 456 H HN 0.323 nan 8.280 nan 0.000 0.521 457 A N 4.274 127.143 122.820 0.083 0.000 2.522 457 A HA 0.163 4.484 4.320 0.002 0.000 0.256 457 A C 0.007 177.626 177.584 0.058 0.000 1.086 457 A CA -0.131 51.928 52.037 0.037 0.000 0.763 457 A CB -0.275 18.737 19.000 0.020 0.000 1.024 457 A HN 0.528 nan 8.150 nan 0.000 0.502 458 I N 4.482 125.072 120.570 0.033 0.000 2.307 458 I HA 0.293 4.464 4.170 0.002 0.000 0.287 458 I C 0.727 176.858 176.117 0.023 0.000 1.054 458 I CA 0.354 61.681 61.300 0.045 0.000 1.218 458 I CB 0.059 38.080 38.000 0.035 0.000 1.398 458 I HN 0.759 nan 8.210 nan 0.000 0.475 459 T N 4.179 118.747 114.554 0.023 0.000 2.901 459 T HA 0.667 5.018 4.350 0.002 0.000 0.293 459 T C -2.931 171.776 174.700 0.011 0.000 1.084 459 T CA -2.347 59.757 62.100 0.006 0.000 1.008 459 T CB 2.039 70.899 68.868 -0.014 0.000 1.170 459 T HN 0.084 nan 8.240 nan 0.000 0.509 460 P HA 0.233 nan 4.420 nan 0.000 0.267 460 P C -0.411 176.898 177.300 0.014 0.000 1.205 460 P CA -0.628 62.483 63.100 0.018 0.000 0.765 460 P CB 0.186 31.894 31.700 0.012 0.000 0.828 461 L N 3.912 125.161 121.223 0.043 0.000 2.584 461 L HA 0.036 4.377 4.340 0.002 0.000 0.272 461 L C 0.142 177.039 176.870 0.045 0.000 1.195 461 L CA 1.045 55.919 54.840 0.057 0.000 0.920 461 L CB -0.533 41.595 42.059 0.115 0.000 1.173 461 L HN 0.290 nan 8.230 nan 0.000 0.489 462 S N 6.557 122.258 115.700 0.002 0.000 2.646 462 S HA 0.560 5.031 4.470 0.002 0.000 0.276 462 S C -2.334 172.329 174.600 0.105 0.000 1.222 462 S CA -0.929 57.269 58.200 -0.003 0.000 1.014 462 S CB 0.929 64.049 63.200 -0.133 0.000 0.991 462 S HN 0.628 nan 8.310 nan 0.000 0.533 463 P HA 0.142 nan 4.420 nan 0.000 0.272 463 P C -0.609 176.811 177.300 0.200 0.000 1.230 463 P CA -0.270 62.906 63.100 0.127 0.000 0.788 463 P CB 0.312 32.057 31.700 0.074 0.000 0.949 464 S N 0.167 115.937 115.700 0.116 0.000 2.568 464 S HA 0.308 4.779 4.470 0.002 0.000 0.282 464 S C 0.742 175.315 174.600 -0.046 0.000 1.338 464 S CA -0.312 57.867 58.200 -0.035 0.000 1.045 464 S CB 0.158 63.275 63.200 -0.138 0.000 0.873 464 S HN 0.664 nan 8.310 nan 0.000 0.516 465 A N 3.513 126.244 122.820 -0.149 0.000 2.280 465 A HA 0.539 4.860 4.320 0.002 0.000 0.268 465 A C -2.344 175.182 177.584 -0.098 0.000 1.111 465 A CA -1.402 50.593 52.037 -0.069 0.000 0.814 465 A CB -0.822 18.136 19.000 -0.070 0.000 1.093 465 A HN 0.543 nan 8.150 nan 0.000 0.498 466 P HA 0.126 nan 4.420 nan 0.000 0.267 466 P C -0.431 176.830 177.300 -0.065 0.000 1.200 466 P CA -0.033 63.039 63.100 -0.045 0.000 0.772 466 P CB 0.310 31.997 31.700 -0.022 0.000 0.855 467 K N 2.478 122.849 120.400 -0.048 0.000 2.485 467 K HA 0.101 4.422 4.320 0.002 0.000 0.277 467 K C -0.386 176.196 176.600 -0.030 0.000 0.990 467 K CA 0.640 56.902 56.287 -0.041 0.000 0.994 467 K CB -0.299 32.193 32.500 -0.013 0.000 0.906 467 K HN 0.327 nan 8.250 nan 0.000 0.488 468 I N 7.328 127.881 120.570 -0.028 0.000 2.330 468 I HA 0.265 4.436 4.170 0.002 0.000 0.289 468 I C -1.810 174.307 176.117 0.000 0.000 1.001 468 I CA -2.395 58.897 61.300 -0.014 0.000 1.193 468 I CB 1.490 39.480 38.000 -0.018 0.000 1.345 468 I HN 0.634 nan 8.210 nan 0.000 0.461 469 P HA 0.010 nan 4.420 nan 0.000 0.268 469 P C 0.916 178.225 177.300 0.014 0.000 1.204 469 P CA -0.211 62.897 63.100 0.013 0.000 0.768 469 P CB 1.407 33.116 31.700 0.015 0.000 0.842 470 I N 3.273 123.854 120.570 0.018 0.000 2.147 470 I HA -0.335 3.836 4.170 0.002 0.000 0.245 470 I C 2.202 178.328 176.117 0.017 0.000 1.059 470 I CA 2.072 63.382 61.300 0.018 0.000 1.320 470 I CB -0.656 37.358 38.000 0.023 0.000 1.021 470 I HN 0.550 nan 8.210 nan 0.000 0.415 471 E N -0.010 120.203 120.200 0.021 0.000 2.153 471 E HA -0.178 4.173 4.350 0.002 0.000 0.194 471 E C 2.100 178.708 176.600 0.013 0.000 0.988 471 E CA 2.001 58.413 56.400 0.020 0.000 0.811 471 E CB -1.044 28.671 29.700 0.025 0.000 0.746 471 E HN 0.444 nan 8.360 nan 0.000 0.466 472 V N 1.708 121.630 119.914 0.012 0.000 2.453 472 V HA -0.186 3.935 4.120 0.002 0.000 0.247 472 V C 2.628 178.725 176.094 0.006 0.000 1.048 472 V CA 1.177 63.483 62.300 0.010 0.000 1.049 472 V CB -0.482 31.346 31.823 0.010 0.000 0.672 472 V HN 0.192 nan 8.190 nan 0.000 0.457 473 L N -0.561 120.665 121.223 0.005 0.000 2.046 473 L HA -0.146 4.195 4.340 0.002 0.000 0.208 473 L C 2.261 179.128 176.870 -0.005 0.000 1.077 473 L CA 1.482 56.323 54.840 0.002 0.000 0.747 473 L CB -0.434 41.627 42.059 0.004 0.000 0.896 473 L HN 0.300 nan 8.230 nan 0.000 0.432 474 L N -0.538 120.683 121.223 -0.004 0.000 2.549 474 L HA -0.133 4.208 4.340 0.002 0.000 0.229 474 L C 2.103 178.961 176.870 -0.020 0.000 1.158 474 L CA 0.632 55.464 54.840 -0.013 0.000 0.842 474 L CB -0.497 41.559 42.059 -0.004 0.000 0.952 474 L HN 0.346 nan 8.230 nan 0.000 0.452 475 E N 0.735 120.929 120.200 -0.011 0.000 2.268 475 E HA -0.120 4.231 4.350 0.002 0.000 0.195 475 E C 2.056 178.643 176.600 -0.020 0.000 0.995 475 E CA 0.816 57.209 56.400 -0.012 0.000 0.836 475 E CB 0.003 29.702 29.700 -0.002 0.000 0.763 475 E HN 0.477 nan 8.360 nan 0.000 0.491 476 A N 1.236 124.043 122.820 -0.022 0.000 2.235 476 A HA -0.060 4.261 4.320 0.002 0.000 0.208 476 A C 2.142 179.697 177.584 -0.047 0.000 1.172 476 A CA 1.071 53.091 52.037 -0.029 0.000 0.786 476 A CB -0.624 18.362 19.000 -0.023 0.000 0.804 476 A HN 0.295 nan 8.150 nan 0.000 0.479 477 T N -2.322 112.196 114.554 -0.059 0.000 3.113 477 T HA 0.061 4.412 4.350 0.002 0.000 0.256 477 T C 0.833 175.482 174.700 -0.085 0.000 1.131 477 T CA 0.296 62.342 62.100 -0.091 0.000 1.074 477 T CB -0.403 68.392 68.868 -0.122 0.000 0.944 477 T HN 0.434 nan 8.240 nan 0.000 0.516 478 K N 3.034 123.398 120.400 -0.061 0.000 2.436 478 K HA 0.148 4.469 4.320 0.002 0.000 0.282 478 K C -2.614 173.954 176.600 -0.055 0.000 1.044 478 K CA -1.620 54.635 56.287 -0.053 0.000 1.028 478 K CB 0.154 32.632 32.500 -0.037 0.000 0.919 478 K HN 0.098 nan 8.250 nan 0.000 0.474 479 P HA -0.021 nan 4.420 nan 0.000 0.265 479 P C -1.203 176.069 177.300 -0.047 0.000 1.193 479 P CA 0.104 63.174 63.100 -0.051 0.000 0.765 479 P CB 0.797 32.471 31.700 -0.045 0.000 0.823 480 T N 0.252 114.773 114.554 -0.055 0.000 2.933 480 T HA 0.497 4.848 4.350 0.002 0.000 0.305 480 T C -0.342 174.311 174.700 -0.078 0.000 1.092 480 T CA -1.279 60.778 62.100 -0.071 0.000 1.008 480 T CB 1.265 70.075 68.868 -0.096 0.000 1.102 480 T HN 0.130 nan 8.240 nan 0.000 0.469 481 R N 2.712 123.164 120.500 -0.079 0.000 2.442 481 R HA 0.373 4.714 4.340 0.002 0.000 0.291 481 R C -1.839 174.386 176.300 -0.125 0.000 1.069 481 R CA -1.234 54.826 56.100 -0.067 0.000 1.022 481 R CB 0.222 30.499 30.300 -0.039 0.000 0.976 481 R HN 0.542 nan 8.270 nan 0.000 0.443 482 P HA -0.012 nan 4.420 nan 0.000 0.272 482 P C -0.615 176.697 177.300 0.021 0.000 1.240 482 P CA -0.109 62.958 63.100 -0.055 0.000 0.791 482 P CB 0.491 32.190 31.700 -0.002 0.000 0.978 483 F N 0.950 121.083 119.950 0.305 0.000 2.496 483 F HA 0.193 4.721 4.527 0.002 0.000 0.344 483 F C -1.119 174.919 175.800 0.397 0.000 1.155 483 F CA -1.493 56.697 58.000 0.317 0.000 1.302 483 F CB -0.841 38.368 39.000 0.348 0.000 1.159 483 F HN 0.220 nan 8.300 nan 0.000 0.595 484 P HA -0.031 nan 4.420 nan 0.000 0.271 484 P C -0.762 176.820 177.300 0.470 0.000 1.216 484 P CA -0.200 63.131 63.100 0.385 0.000 0.776 484 P CB 0.796 32.637 31.700 0.235 0.000 0.881 485 W N 2.854 124.228 121.300 0.123 0.000 2.639 485 W HA 0.364 5.025 4.660 0.001 0.000 0.347 485 W C -0.105 176.459 176.519 0.075 0.000 1.067 485 W CA -0.856 56.553 57.345 0.107 0.000 1.218 485 W CB 2.014 31.537 29.460 0.106 0.000 1.393 485 W HN 0.223 nan 8.180 nan 0.000 0.557 486 L N 1.879 123.210 121.223 0.179 0.000 2.453 486 L HA -0.037 4.304 4.340 0.002 0.000 0.261 486 L C 1.253 178.242 176.870 0.197 0.000 1.179 486 L CA 0.318 55.234 54.840 0.127 0.000 0.813 486 L CB 0.590 42.672 42.059 0.038 0.000 1.110 486 L HN 0.497 nan 8.230 nan 0.000 0.466 487 D N 0.124 120.606 120.400 0.136 0.000 2.162 487 D HA -0.030 4.611 4.640 0.002 0.000 0.203 487 D C -0.145 176.220 176.300 0.108 0.000 0.967 487 D CA 1.111 55.185 54.000 0.123 0.000 0.840 487 D CB 0.540 41.391 40.800 0.085 0.000 0.972 487 D HN 0.518 nan 8.370 nan 0.000 0.482 488 E N -0.609 119.642 120.200 0.085 0.000 2.314 488 E HA 0.239 4.590 4.350 0.002 0.000 0.272 488 E C -0.951 175.682 176.600 0.055 0.000 0.884 488 E CA -0.634 55.808 56.400 0.069 0.000 0.753 488 E CB 1.882 31.611 29.700 0.049 0.000 1.213 488 E HN -0.125 nan 8.360 nan 0.000 0.432 489 T N 0.423 115.009 114.554 0.053 0.000 2.856 489 T HA -0.010 4.341 4.350 0.002 0.000 0.306 489 T C 0.700 175.407 174.700 0.013 0.000 1.062 489 T CA -0.115 62.002 62.100 0.029 0.000 1.083 489 T CB 0.373 69.262 68.868 0.036 0.000 0.984 489 T HN 0.584 nan 8.240 nan 0.000 0.542 490 D N 2.311 122.707 120.400 -0.006 0.000 2.339 490 D HA 0.026 4.667 4.640 0.002 0.000 0.217 490 D C 0.461 176.750 176.300 -0.019 0.000 1.050 490 D CA 0.252 54.244 54.000 -0.012 0.000 0.856 490 D CB 0.093 40.880 40.800 -0.023 0.000 0.922 490 D HN 0.332 nan 8.370 nan 0.000 0.518 491 M N 1.128 120.717 119.600 -0.019 0.000 3.003 491 M HA 0.235 4.716 4.480 0.002 0.000 0.221 491 M C -0.437 175.854 176.300 -0.016 0.000 1.126 491 M CA -0.356 54.926 55.300 -0.031 0.000 0.778 491 M CB 0.846 33.413 32.600 -0.054 0.000 1.380 491 M HN -0.180 nan 8.290 nan 0.000 0.508 492 K N 0.558 120.956 120.400 -0.002 0.000 2.355 492 K HA 0.136 4.457 4.320 0.002 0.000 0.270 492 K C 1.465 178.064 176.600 -0.001 0.000 1.003 492 K CA -0.163 56.133 56.287 0.014 0.000 0.957 492 K CB 1.784 34.295 32.500 0.018 0.000 0.939 492 K HN 0.314 nan 8.250 nan 0.000 0.482 493 V N -0.939 118.984 119.914 0.015 0.000 2.720 493 V HA -0.209 3.912 4.120 0.002 0.000 0.256 493 V C 0.825 176.906 176.094 -0.021 0.000 1.082 493 V CA 1.541 63.831 62.300 -0.017 0.000 1.101 493 V CB -0.380 31.442 31.823 -0.001 0.000 0.693 493 V HN 0.607 nan 8.190 nan 0.000 0.479 494 D N 1.167 121.566 120.400 -0.001 0.000 2.685 494 D HA 0.355 4.996 4.640 0.002 0.000 0.254 494 D C 1.090 177.385 176.300 -0.009 0.000 1.414 494 D CA 1.076 55.074 54.000 -0.003 0.000 1.145 494 D CB -0.544 40.262 40.800 0.010 0.000 0.941 494 D HN 0.517 nan 8.370 nan 0.000 0.250 495 G N 0.000 108.799 108.800 -0.002 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