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 1q6g_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 HAILTFTCLE MRDSEQPSDA DATA SEQUENCE KSGPQELVQQ VLSGGWREDI RVAGENALPR YDATAYNQII LNARPQGVNN DATA SEQUENCE NGPPKLSMFG VTYLRLSDDL LQKSNFNIFK KFVLKMHADQ DYCANPQKYN DATA SEQUENCE HAITPLKPSA PKIPIEVLLE ATKPTLPFPW LPETDMKVDG 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 0.000 175.494 175.510 -0.027 0.000 1.280 6 N CA 0.000 53.033 53.050 -0.028 0.000 0.885 6 N CB 0.000 38.469 38.487 -0.030 0.000 1.341 7 M N 2.005 121.588 119.600 -0.028 0.000 2.195 7 M HA -0.126 4.354 4.480 0.001 0.000 0.260 7 M C 1.816 178.105 176.300 -0.018 0.000 1.066 7 M CA 1.140 56.424 55.300 -0.027 0.000 1.089 7 M CB -0.798 31.785 32.600 -0.029 0.000 1.377 7 M HN 0.607 nan 8.290 nan 0.000 0.411 8 L N 0.313 121.525 121.223 -0.019 0.000 2.263 8 L HA -0.176 4.164 4.340 0.001 0.000 0.216 8 L C 1.881 178.754 176.870 0.006 0.000 1.111 8 L CA 1.260 56.088 54.840 -0.019 0.000 0.773 8 L CB -0.776 41.246 42.059 -0.061 0.000 0.906 8 L HN 0.182 nan 8.230 nan 0.000 0.439 9 L N -0.822 120.405 121.223 0.005 0.000 2.465 9 L HA -0.056 4.284 4.340 0.001 0.000 0.224 9 L C 1.884 178.764 176.870 0.016 0.000 1.145 9 L CA 1.079 55.934 54.840 0.025 0.000 0.834 9 L CB -0.995 41.067 42.059 0.005 0.000 0.944 9 L HN 0.396 nan 8.230 nan 0.000 0.451 10 N N -1.929 116.767 118.700 -0.007 0.000 2.280 10 N HA -0.073 4.668 4.740 0.001 0.000 0.192 10 N C 0.050 175.528 175.510 -0.053 0.000 1.109 10 N CA -0.059 52.969 53.050 -0.036 0.000 0.855 10 N CB 0.383 38.837 38.487 -0.056 0.000 0.974 10 N HN 0.195 nan 8.380 nan 0.000 0.482 11 Y N 2.178 122.333 120.300 -0.242 0.000 2.650 11 Y HA 0.024 4.575 4.550 0.001 0.000 0.331 11 Y C -0.199 175.391 175.900 -0.516 0.000 1.165 11 Y CA 0.155 57.998 58.100 -0.428 0.000 1.473 11 Y CB 0.384 38.444 38.460 -0.667 0.000 1.224 11 Y HN -0.290 nan 8.280 nan 0.000 0.533 12 V N 9.760 129.432 119.914 -0.403 0.000 2.378 12 V HA 0.322 4.443 4.120 0.001 0.000 0.288 12 V C -2.088 173.760 176.094 -0.410 0.000 1.016 12 V CA -2.076 60.042 62.300 -0.303 0.000 0.840 12 V CB 1.396 33.120 31.823 -0.164 0.000 0.994 12 V HN 0.707 nan 8.190 nan 0.000 0.431 13 P HA 0.173 nan 4.420 nan 0.000 0.269 13 P C -0.793 176.276 177.300 -0.386 0.000 1.209 13 P CA 0.074 62.978 63.100 -0.326 0.000 0.776 13 P CB 1.406 32.971 31.700 -0.224 0.000 0.876 14 V N 4.107 123.744 119.914 -0.462 0.000 2.495 14 V HA 0.366 4.487 4.120 0.001 0.000 0.298 14 V C -0.437 175.404 176.094 -0.422 0.000 1.031 14 V CA -0.375 61.709 62.300 -0.360 0.000 0.871 14 V CB 0.884 32.462 31.823 -0.409 0.000 0.988 14 V HN 0.430 nan 8.190 nan 0.000 0.432 15 Y N 2.487 122.907 120.300 0.199 0.000 2.562 15 Y HA 0.769 5.319 4.550 0.001 0.000 0.343 15 Y C -0.109 175.967 175.900 0.293 0.000 1.025 15 Y CA -1.120 57.111 58.100 0.219 0.000 1.082 15 Y CB 2.202 40.771 38.460 0.182 0.000 1.264 15 Y HN 0.326 nan 8.280 nan 0.000 0.478 16 V N 3.350 123.517 119.914 0.422 0.000 2.588 16 V HA 0.348 4.468 4.120 0.001 0.000 0.304 16 V C -0.245 176.012 176.094 0.272 0.000 1.042 16 V CA -1.096 61.435 62.300 0.384 0.000 0.877 16 V CB 1.709 33.736 31.823 0.341 0.000 0.996 16 V HN 0.748 nan 8.190 nan 0.000 0.425 17 M N 4.873 124.607 119.600 0.225 0.000 2.228 17 M HA 0.335 4.815 4.480 0.001 0.000 0.351 17 M C -0.282 176.098 176.300 0.133 0.000 1.233 17 M CA 0.184 55.570 55.300 0.144 0.000 1.129 17 M CB 0.471 33.127 32.600 0.094 0.000 1.604 17 M HN 0.436 nan 8.290 nan 0.000 0.457 18 L N 3.806 125.100 121.223 0.117 0.000 2.466 18 L HA 0.348 4.688 4.340 0.001 0.000 0.257 18 L C -2.010 174.931 176.870 0.118 0.000 1.189 18 L CA -1.990 52.917 54.840 0.113 0.000 0.813 18 L CB 0.158 42.279 42.059 0.103 0.000 1.118 18 L HN 0.350 nan 8.230 nan 0.000 0.471 19 P HA 0.063 nan 4.420 nan 0.000 0.269 19 P C -0.745 176.649 177.300 0.156 0.000 1.215 19 P CA -0.134 63.036 63.100 0.116 0.000 0.780 19 P CB 0.404 32.163 31.700 0.098 0.000 0.898 20 L N 1.850 123.171 121.223 0.164 0.000 2.416 20 L HA 0.330 4.671 4.340 0.001 0.000 0.272 20 L C 1.600 178.574 176.870 0.173 0.000 1.161 20 L CA 0.586 55.567 54.840 0.235 0.000 0.845 20 L CB -0.460 41.719 42.059 0.200 0.000 1.119 20 L HN 0.786 nan 8.230 nan 0.000 0.464 21 G N 1.956 110.887 108.800 0.218 0.000 2.141 21 G HA2 -0.270 3.690 3.960 0.001 0.000 0.242 21 G HA3 -0.270 3.690 3.960 0.001 0.000 0.242 21 G C 0.675 175.654 174.900 0.132 0.000 0.982 21 G CA 0.285 45.456 45.100 0.119 0.000 0.662 21 G HN 0.576 nan 8.290 nan 0.000 0.527 22 V N 0.048 120.061 119.914 0.166 0.000 2.453 22 V HA 0.065 4.186 4.120 0.001 0.000 0.252 22 V C 1.542 177.743 176.094 0.178 0.000 1.068 22 V CA 2.690 65.091 62.300 0.168 0.000 1.070 22 V CB 0.021 31.925 31.823 0.135 0.000 0.664 22 V HN 1.531 nan 8.190 nan 0.000 0.461 23 V N 0.853 120.815 119.914 0.080 0.000 2.409 23 V HA 0.608 4.729 4.120 0.001 0.000 0.291 23 V C -0.214 175.927 176.094 0.079 0.000 1.020 23 V CA -0.835 61.483 62.300 0.030 0.000 0.848 23 V CB 1.016 32.670 31.823 -0.283 0.000 0.990 23 V HN 0.657 nan 8.190 nan 0.000 0.430 24 N N 3.643 122.385 118.700 0.071 0.000 2.294 24 N HA 0.130 4.870 4.740 0.001 0.000 0.248 24 N C 0.889 176.417 175.510 0.029 0.000 1.300 24 N CA 0.117 53.189 53.050 0.036 0.000 0.925 24 N CB 1.004 39.505 38.487 0.023 0.000 1.188 24 N HN 0.441 nan 8.380 nan 0.000 0.512 25 V N -0.703 119.202 119.914 -0.016 0.000 3.026 25 V HA -0.140 3.981 4.120 0.001 0.000 0.265 25 V C 0.317 176.417 176.094 0.009 0.000 1.121 25 V CA 1.704 63.987 62.300 -0.027 0.000 1.142 25 V CB -0.835 30.947 31.823 -0.068 0.000 0.730 25 V HN 0.592 nan 8.190 nan 0.000 0.503 26 D N 0.375 120.788 120.400 0.023 0.000 2.342 26 D HA 0.073 4.713 4.640 0.001 0.000 0.221 26 D C 0.632 176.966 176.300 0.057 0.000 1.101 26 D CA 0.067 54.087 54.000 0.033 0.000 0.837 26 D CB -0.121 40.694 40.800 0.025 0.000 0.938 26 D HN 0.475 nan 8.370 nan 0.000 0.508 27 N N 0.635 119.382 118.700 0.078 0.000 2.746 27 N HA -0.173 4.568 4.740 0.001 0.000 0.250 27 N C -1.467 174.100 175.510 0.096 0.000 1.055 27 N CA 0.230 53.345 53.050 0.108 0.000 0.699 27 N CB -1.261 37.297 38.487 0.119 0.000 0.919 27 N HN -0.037 nan 8.380 nan 0.000 0.548 28 V N 2.242 122.208 119.914 0.087 0.000 2.577 28 V HA 0.381 4.501 4.120 0.001 0.000 0.303 28 V C -0.037 176.147 176.094 0.151 0.000 1.042 28 V CA -0.940 61.420 62.300 0.101 0.000 0.872 28 V CB 1.495 33.358 31.823 0.066 0.000 0.998 28 V HN 0.219 nan 8.190 nan 0.000 0.423 29 F N 4.578 124.512 119.950 -0.028 0.000 2.509 29 F HA 0.343 4.870 4.527 0.001 0.000 0.350 29 F C 1.331 177.118 175.800 -0.020 0.000 1.220 29 F CA -0.623 57.349 58.000 -0.046 0.000 1.151 29 F CB -0.154 38.818 39.000 -0.047 0.000 1.379 29 F HN 0.742 nan 8.300 nan 0.000 0.610 30 E N 1.945 122.174 120.200 0.049 0.000 2.021 30 E HA -0.249 4.101 4.350 0.001 0.000 0.200 30 E C 0.078 176.538 176.600 -0.233 0.000 1.015 30 E CA 1.692 58.044 56.400 -0.080 0.000 0.824 30 E CB -0.011 29.683 29.700 -0.010 0.000 0.762 30 E HN 0.454 nan 8.360 nan 0.000 0.454 31 D N -0.679 119.544 120.400 -0.295 0.000 2.434 31 D HA 0.142 4.782 4.640 0.001 0.000 0.275 31 D C -2.160 173.857 176.300 -0.473 0.000 1.172 31 D CA -2.221 51.599 54.000 -0.300 0.000 0.916 31 D CB 1.124 41.846 40.800 -0.130 0.000 1.041 31 D HN -0.204 nan 8.370 nan 0.000 0.501 32 P HA -0.047 nan 4.420 nan 0.000 0.216 32 P C 0.840 178.022 177.300 -0.198 0.000 1.153 32 P CA 0.721 63.429 63.100 -0.652 0.000 0.844 32 P CB 0.425 31.785 31.700 -0.567 0.000 0.787 33 D N -0.684 119.618 120.400 -0.163 0.000 2.117 33 D HA -0.095 4.545 4.640 0.001 0.000 0.197 33 D C 2.229 178.496 176.300 -0.055 0.000 0.987 33 D CA 1.668 55.622 54.000 -0.078 0.000 0.829 33 D CB -0.937 39.821 40.800 -0.071 0.000 0.961 33 D HN 0.180 nan 8.370 nan 0.000 0.460 34 G N 1.409 110.167 108.800 -0.071 0.000 2.421 34 G HA2 -0.187 3.774 3.960 0.001 0.000 0.216 34 G HA3 -0.187 3.774 3.960 0.001 0.000 0.216 34 G C 1.700 176.592 174.900 -0.012 0.000 1.171 34 G CA 0.024 45.099 45.100 -0.042 0.000 0.775 34 G HN 0.196 nan 8.290 nan 0.000 0.543 35 L N 0.317 121.546 121.223 0.010 0.000 2.017 35 L HA -0.071 4.270 4.340 0.001 0.000 0.208 35 L C 2.883 179.794 176.870 0.068 0.000 1.073 35 L CA 2.029 56.915 54.840 0.077 0.000 0.745 35 L CB -0.401 41.779 42.059 0.202 0.000 0.894 35 L HN 0.306 nan 8.230 nan 0.000 0.432 36 K N 0.386 120.822 120.400 0.060 0.000 2.059 36 K HA -0.273 4.047 4.320 0.001 0.000 0.212 36 K C 1.904 178.522 176.600 0.030 0.000 1.050 36 K CA 2.309 58.628 56.287 0.054 0.000 0.927 36 K CB -0.141 32.384 32.500 0.040 0.000 0.714 36 K HN 0.597 nan 8.250 nan 0.000 0.447 37 E N 0.206 120.411 120.200 0.008 0.000 2.077 37 E HA -0.269 4.081 4.350 0.001 0.000 0.193 37 E C 2.025 178.614 176.600 -0.018 0.000 0.989 37 E CA 1.261 57.656 56.400 -0.007 0.000 0.800 37 E CB -0.281 29.406 29.700 -0.022 0.000 0.746 37 E HN 0.466 nan 8.360 nan 0.000 0.452 38 Q N 0.058 119.847 119.800 -0.019 0.000 2.079 38 Q HA -0.121 4.220 4.340 0.001 0.000 0.200 38 Q C 2.259 178.258 176.000 -0.001 0.000 0.974 38 Q CA 1.072 56.853 55.803 -0.038 0.000 0.840 38 Q CB -0.059 28.664 28.738 -0.025 0.000 0.898 38 Q HN 0.231 nan 8.270 nan 0.000 0.430 39 L N 0.508 121.752 121.223 0.034 0.000 2.046 39 L HA -0.181 4.160 4.340 0.001 0.000 0.208 39 L C 2.109 179.009 176.870 0.051 0.000 1.077 39 L CA 1.595 56.468 54.840 0.056 0.000 0.747 39 L CB -0.757 41.343 42.059 0.069 0.000 0.896 39 L HN 0.243 nan 8.230 nan 0.000 0.432 40 L N -1.358 119.887 121.223 0.037 0.000 2.131 40 L HA -0.223 4.118 4.340 0.001 0.000 0.210 40 L C 2.641 179.540 176.870 0.049 0.000 1.092 40 L CA 0.820 55.681 54.840 0.035 0.000 0.759 40 L CB -0.527 41.548 42.059 0.027 0.000 0.903 40 L HN 0.370 nan 8.230 nan 0.000 0.435 41 Q N -0.334 119.491 119.800 0.042 0.000 2.084 41 Q HA -0.183 4.157 4.340 0.001 0.000 0.202 41 Q C 2.337 178.479 176.000 0.236 0.000 0.978 41 Q CA 1.335 57.186 55.803 0.081 0.000 0.844 41 Q CB -0.290 28.384 28.738 -0.107 0.000 0.898 41 Q HN 0.368 nan 8.270 nan 0.000 0.426 42 L N 0.613 121.947 121.223 0.185 0.000 2.046 42 L HA -0.167 4.173 4.340 0.001 0.000 0.208 42 L C 2.498 179.439 176.870 0.119 0.000 1.077 42 L CA 1.525 56.503 54.840 0.231 0.000 0.747 42 L CB -0.854 41.309 42.059 0.172 0.000 0.896 42 L HN 0.118 nan 8.230 nan 0.000 0.432 43 R N 0.267 120.795 120.500 0.047 0.000 2.081 43 R HA -0.106 4.235 4.340 0.001 0.000 0.235 43 R C 2.138 178.399 176.300 -0.066 0.000 1.131 43 R CA 1.743 57.809 56.100 -0.056 0.000 0.960 43 R CB -0.763 29.516 30.300 -0.035 0.000 0.856 43 R HN 0.302 nan 8.270 nan 0.000 0.436 44 A N -0.089 122.743 122.820 0.020 0.000 2.015 44 A HA 0.073 4.393 4.320 0.001 0.000 0.219 44 A C 2.186 179.781 177.584 0.018 0.000 1.163 44 A CA 1.445 53.498 52.037 0.028 0.000 0.646 44 A CB -0.715 18.330 19.000 0.074 0.000 0.806 44 A HN 0.469 nan 8.150 nan 0.000 0.448 45 A N -1.890 120.958 122.820 0.048 0.000 2.206 45 A HA 0.396 4.717 4.320 0.001 0.000 0.211 45 A C 1.807 179.332 177.584 -0.099 0.000 1.158 45 A CA 1.283 53.294 52.037 -0.043 0.000 0.761 45 A CB -0.756 18.239 19.000 -0.009 0.000 0.801 45 A HN 1.823 nan 8.150 nan 0.000 0.473 46 G N -1.678 107.069 108.800 -0.090 0.000 2.157 46 G HA2 -0.187 3.773 3.960 0.001 0.000 0.239 46 G HA3 -0.187 3.773 3.960 0.001 0.000 0.239 46 G C 0.186 175.077 174.900 -0.015 0.000 0.982 46 G CA 0.012 45.073 45.100 -0.065 0.000 0.650 46 G HN 0.743 nan 8.290 nan 0.000 0.527 47 V N 1.555 121.436 119.914 -0.055 0.000 2.673 47 V HA 0.122 4.242 4.120 0.001 0.000 0.303 47 V C 1.484 177.588 176.094 0.017 0.000 1.046 47 V CA 0.863 63.168 62.300 0.009 0.000 1.126 47 V CB 1.096 32.993 31.823 0.124 0.000 0.934 47 V HN 0.375 nan 8.190 nan 0.000 0.487 48 D N 2.872 123.311 120.400 0.066 0.000 2.194 48 D HA 0.135 4.776 4.640 0.001 0.000 0.204 48 D C 0.762 177.179 176.300 0.196 0.000 0.964 48 D CA 1.418 55.518 54.000 0.168 0.000 0.846 48 D CB 0.713 41.521 40.800 0.013 0.000 0.962 48 D HN 0.744 nan 8.370 nan 0.000 0.490 49 G N -0.212 108.718 108.800 0.217 0.000 2.554 49 G HA2 0.453 4.413 3.960 0.001 0.000 0.306 49 G HA3 0.453 4.413 3.960 0.001 0.000 0.306 49 G C -1.442 173.706 174.900 0.414 0.000 1.320 49 G CA -0.213 45.132 45.100 0.407 0.000 0.800 49 G HN 0.072 nan 8.290 nan 0.000 0.481 50 V N -2.751 117.356 119.914 0.323 0.000 3.102 50 V HA 0.907 5.027 4.120 0.001 0.000 0.312 50 V C -0.343 175.845 176.094 0.156 0.000 1.135 50 V CA -1.066 61.379 62.300 0.241 0.000 1.022 50 V CB 1.985 33.907 31.823 0.164 0.000 1.056 50 V HN 1.102 nan 8.190 nan 0.000 0.436 51 M N 2.617 122.292 119.600 0.125 0.000 2.465 51 M HA 0.866 5.347 4.480 0.001 0.000 0.316 51 M C -1.935 174.388 176.300 0.039 0.000 1.121 51 M CA -0.708 54.621 55.300 0.047 0.000 0.934 51 M CB 1.999 34.624 32.600 0.041 0.000 1.692 51 M HN 0.855 nan 8.290 nan 0.000 0.444 52 V N 3.986 123.898 119.914 -0.004 0.000 2.971 52 V HA 0.475 4.595 4.120 0.001 0.000 0.309 52 V C -1.408 174.622 176.094 -0.106 0.000 1.130 52 V CA -0.655 61.647 62.300 0.003 0.000 0.964 52 V CB 2.608 34.474 31.823 0.070 0.000 1.029 52 V HN 0.915 nan 8.190 nan 0.000 0.427 53 D N 3.685 123.967 120.400 -0.196 0.000 2.308 53 D HA 0.314 4.954 4.640 0.001 0.000 0.251 53 D C -0.521 175.479 176.300 -0.500 0.000 1.127 53 D CA 0.098 53.731 54.000 -0.612 0.000 0.876 53 D CB 2.098 42.086 40.800 -1.354 0.000 1.176 53 D HN 0.335 nan 8.370 nan 0.000 0.446 54 V N 3.858 123.451 119.914 -0.535 0.000 2.240 54 V HA 0.101 4.221 4.120 0.001 0.000 0.265 54 V C -0.330 175.588 176.094 -0.292 0.000 1.073 54 V CA -0.916 61.091 62.300 -0.488 0.000 0.857 54 V CB -0.398 31.150 31.823 -0.459 0.000 1.114 54 V HN 0.448 nan 8.190 nan 0.000 0.469 55 W N 3.190 124.507 121.300 0.028 0.000 2.397 55 W HA 0.075 4.736 4.660 0.003 0.000 0.327 55 W C 1.098 177.699 176.519 0.137 0.000 1.421 55 W CA -0.128 57.242 57.345 0.041 0.000 1.288 55 W CB 0.295 29.798 29.460 0.073 0.000 1.312 55 W HN 0.770 nan 8.180 nan 0.000 0.559 56 W N 3.628 124.955 121.300 0.045 0.000 2.358 56 W HA -0.119 4.543 4.660 0.003 0.000 0.303 56 W C 1.926 178.530 176.519 0.142 0.000 1.208 56 W CA 2.105 59.420 57.345 -0.049 0.000 1.274 56 W CB -0.827 28.508 29.460 -0.207 0.000 1.138 56 W HN 0.404 nan 8.180 nan 0.000 0.515 57 G N 0.420 109.235 108.800 0.024 0.000 2.509 57 G HA2 -0.177 3.783 3.960 0.001 0.000 0.218 57 G HA3 -0.177 3.783 3.960 0.001 0.000 0.218 57 G C 1.494 176.373 174.900 -0.035 0.000 1.124 57 G CA 1.154 46.140 45.100 -0.190 0.000 0.776 57 G HN 0.385 nan 8.290 nan 0.000 0.547 58 I N -0.337 120.311 120.570 0.131 0.000 2.556 58 I HA 0.120 4.291 4.170 0.001 0.000 0.251 58 I C 2.415 178.628 176.117 0.161 0.000 1.105 58 I CA 0.306 61.700 61.300 0.156 0.000 1.436 58 I CB 0.003 38.171 38.000 0.281 0.000 1.139 58 I HN 0.072 nan 8.210 nan 0.000 0.438 59 I N 0.471 121.166 120.570 0.209 0.000 2.353 59 I HA -0.208 3.963 4.170 0.001 0.000 0.248 59 I C 1.746 177.953 176.117 0.149 0.000 1.119 59 I CA 1.333 62.688 61.300 0.092 0.000 1.417 59 I CB 0.037 37.973 38.000 -0.106 0.000 1.078 59 I HN 0.185 nan 8.210 nan 0.000 0.421 60 E N 0.881 121.266 120.200 0.309 0.000 2.723 60 E HA 0.052 4.402 4.350 0.001 0.000 0.219 60 E C 1.346 178.116 176.600 0.284 0.000 1.060 60 E CA -0.186 56.411 56.400 0.329 0.000 1.291 60 E CB 0.413 30.518 29.700 0.675 0.000 1.265 60 E HN 0.223 nan 8.360 nan 0.000 0.438 61 L N 1.024 122.336 121.223 0.149 0.000 2.005 61 L HA -0.080 4.260 4.340 0.001 0.000 0.207 61 L C 2.108 179.092 176.870 0.191 0.000 1.072 61 L CA 1.829 56.745 54.840 0.127 0.000 0.744 61 L CB -0.236 41.857 42.059 0.057 0.000 0.895 61 L HN 0.053 nan 8.230 nan 0.000 0.433 62 K N -0.132 120.320 120.400 0.087 0.000 2.074 62 K HA 0.088 4.408 4.320 0.001 0.000 0.209 62 K C 0.652 177.223 176.600 -0.049 0.000 1.048 62 K CA 1.152 57.453 56.287 0.023 0.000 0.926 62 K CB -0.422 32.064 32.500 -0.023 0.000 0.713 62 K HN 0.591 nan 8.250 nan 0.000 0.444 63 G N -2.213 106.470 108.800 -0.195 0.000 2.322 63 G HA2 0.218 4.179 3.960 0.001 0.000 0.295 63 G HA3 0.218 4.179 3.960 0.001 0.000 0.295 63 G C -3.004 171.342 174.900 -0.924 0.000 1.369 63 G CA -1.151 43.551 45.100 -0.664 0.000 0.821 63 G HN -0.212 nan 8.290 nan 0.000 0.536 64 P HA 0.166 nan 4.420 nan 0.000 0.258 64 P C 0.082 177.080 177.300 -0.504 0.000 1.172 64 P CA 0.702 63.248 63.100 -0.923 0.000 0.762 64 P CB 0.255 31.484 31.700 -0.784 0.000 0.764 65 K N 0.894 121.014 120.400 -0.468 0.000 3.088 65 K HA -0.220 4.101 4.320 0.001 0.000 0.273 65 K C -0.169 175.991 176.600 -0.734 0.000 1.111 65 K CA 0.584 56.435 56.287 -0.726 0.000 0.803 65 K CB -1.067 31.296 32.500 -0.229 0.000 1.226 65 K HN 0.589 nan 8.250 nan 0.000 0.485 66 Q N 0.817 120.259 119.800 -0.597 0.000 2.963 66 Q HA 0.144 4.485 4.340 0.001 0.000 0.262 66 Q C -0.817 175.023 176.000 -0.267 0.000 1.318 66 Q CA 0.096 55.706 55.803 -0.322 0.000 1.089 66 Q CB 0.083 28.689 28.738 -0.220 0.000 1.424 66 Q HN 0.165 nan 8.270 nan 0.000 0.560 67 Y N 0.224 120.512 120.300 -0.019 0.000 2.299 67 Y HA 0.278 4.829 4.550 0.001 0.000 0.326 67 Y C 0.578 176.344 175.900 -0.223 0.000 1.164 67 Y CA -1.036 56.946 58.100 -0.197 0.000 1.234 67 Y CB 0.912 39.219 38.460 -0.256 0.000 1.219 67 Y HN 0.172 nan 8.280 nan 0.000 0.497 68 D N 2.090 122.385 120.400 -0.175 0.000 2.421 68 D HA 0.189 4.829 4.640 0.001 0.000 0.254 68 D C -1.032 175.222 176.300 -0.078 0.000 1.238 68 D CA -0.833 53.140 54.000 -0.045 0.000 0.919 68 D CB 0.290 41.109 40.800 0.032 0.000 1.152 68 D HN 0.579 nan 8.370 nan 0.000 0.552 69 W N 2.804 124.223 121.300 0.199 0.000 3.278 69 W HA 0.258 4.919 4.660 0.003 0.000 0.308 69 W C 1.979 178.618 176.519 0.201 0.000 1.253 69 W CA -0.520 56.943 57.345 0.197 0.000 1.759 69 W CB 0.393 29.915 29.460 0.104 0.000 1.093 69 W HN 0.244 nan 8.180 nan 0.000 0.648 70 R N 0.985 121.688 120.500 0.339 0.000 2.094 70 R HA -0.207 4.134 4.340 0.001 0.000 0.239 70 R C 2.400 178.839 176.300 0.232 0.000 1.137 70 R CA 1.990 58.242 56.100 0.255 0.000 0.943 70 R CB -0.937 29.474 30.300 0.185 0.000 0.850 70 R HN 0.198 nan 8.270 nan 0.000 0.433 71 A N 0.284 123.229 122.820 0.209 0.000 1.908 71 A HA -0.193 4.127 4.320 0.001 0.000 0.218 71 A C 1.922 179.511 177.584 0.010 0.000 1.181 71 A CA 1.321 53.432 52.037 0.122 0.000 0.627 71 A CB -0.749 18.297 19.000 0.077 0.000 0.818 71 A HN 0.365 nan 8.150 nan 0.000 0.445 72 Y N -0.343 120.038 120.300 0.135 0.000 2.352 72 Y HA -0.098 4.452 4.550 0.001 0.000 0.292 72 Y C 2.636 178.549 175.900 0.021 0.000 1.136 72 Y CA 1.453 59.603 58.100 0.084 0.000 1.227 72 Y CB -0.123 38.495 38.460 0.263 0.000 0.991 72 Y HN 0.231 nan 8.280 nan 0.000 0.545 73 R N -0.962 119.686 120.500 0.247 0.000 2.092 73 R HA -0.117 4.224 4.340 0.001 0.000 0.231 73 R C 2.318 178.700 176.300 0.137 0.000 1.119 73 R CA 1.420 57.658 56.100 0.229 0.000 0.970 73 R CB -0.327 30.156 30.300 0.306 0.000 0.864 73 R HN 0.184 nan 8.270 nan 0.000 0.440 74 S N 1.228 116.993 115.700 0.110 0.000 2.383 74 S HA -0.114 4.357 4.470 0.001 0.000 0.227 74 S C 1.767 176.348 174.600 -0.032 0.000 1.026 74 S CA 0.829 59.104 58.200 0.124 0.000 0.981 74 S CB -0.159 63.190 63.200 0.248 0.000 0.818 74 S HN 0.170 nan 8.310 nan 0.000 0.472 75 L N 1.478 122.481 121.223 -0.366 0.000 2.027 75 L HA 0.017 4.357 4.340 0.001 0.000 0.206 75 L C 1.870 178.551 176.870 -0.315 0.000 1.074 75 L CA 1.596 56.047 54.840 -0.647 0.000 0.745 75 L CB -0.746 40.807 42.059 -0.842 0.000 0.898 75 L HN 0.151 nan 8.230 nan 0.000 0.433 76 L N -0.442 120.578 121.223 -0.337 0.000 2.083 76 L HA -0.209 4.131 4.340 0.001 0.000 0.209 76 L C 2.662 179.241 176.870 -0.485 0.000 1.083 76 L CA 1.841 56.361 54.840 -0.532 0.000 0.752 76 L CB -1.101 40.336 42.059 -1.037 0.000 0.899 76 L HN 0.460 nan 8.230 nan 0.000 0.433 77 Q N -0.547 119.091 119.800 -0.269 0.000 2.061 77 Q HA -0.226 4.114 4.340 0.001 0.000 0.204 77 Q C 2.146 178.194 176.000 0.081 0.000 0.984 77 Q CA 1.797 57.660 55.803 0.100 0.000 0.846 77 Q CB -0.506 28.381 28.738 0.248 0.000 0.902 77 Q HN 0.381 nan 8.270 nan 0.000 0.421 78 L N -0.651 120.610 121.223 0.063 0.000 2.046 78 L HA -0.093 4.248 4.340 0.001 0.000 0.208 78 L C 2.090 178.998 176.870 0.064 0.000 1.077 78 L CA 1.507 56.407 54.840 0.101 0.000 0.747 78 L CB -0.716 41.455 42.059 0.187 0.000 0.896 78 L HN 0.169 nan 8.230 nan 0.000 0.432 79 V N -0.144 119.776 119.914 0.010 0.000 2.332 79 V HA -0.366 3.754 4.120 0.001 0.000 0.248 79 V C 2.608 178.726 176.094 0.040 0.000 1.055 79 V CA 2.138 64.449 62.300 0.017 0.000 1.038 79 V CB -0.811 30.998 31.823 -0.023 0.000 0.651 79 V HN 0.690 nan 8.190 nan 0.000 0.450 80 Q N 0.112 119.934 119.800 0.036 0.000 2.084 80 Q HA -0.261 4.079 4.340 0.001 0.000 0.202 80 Q C 2.179 178.234 176.000 0.092 0.000 0.978 80 Q CA 2.119 57.974 55.803 0.086 0.000 0.844 80 Q CB -0.156 28.672 28.738 0.151 0.000 0.898 80 Q HN 0.737 nan 8.270 nan 0.000 0.426 81 E N -0.648 119.606 120.200 0.091 0.000 2.204 81 E HA -0.163 4.187 4.350 0.001 0.000 0.195 81 E C 1.625 178.266 176.600 0.069 0.000 0.990 81 E CA 1.017 57.466 56.400 0.082 0.000 0.821 81 E CB 0.012 29.763 29.700 0.084 0.000 0.750 81 E HN 0.404 nan 8.360 nan 0.000 0.477 82 C N 0.617 119.957 119.300 0.066 0.000 2.613 82 C HA 0.239 4.700 4.460 0.001 0.000 0.273 82 C C 1.456 176.476 174.990 0.049 0.000 1.304 82 C CA 0.253 59.305 59.018 0.055 0.000 1.702 82 C CB -1.235 26.540 27.740 0.057 0.000 1.792 82 C HN 0.637 nan 8.230 nan 0.000 0.588 83 G N 1.195 110.033 108.800 0.063 0.000 2.273 83 G HA2 -0.245 3.716 3.960 0.001 0.000 0.280 83 G HA3 -0.245 3.716 3.960 0.001 0.000 0.280 83 G C -0.334 174.612 174.900 0.076 0.000 1.047 83 G CA 0.112 45.255 45.100 0.071 0.000 0.869 83 G HN 0.558 nan 8.290 nan 0.000 0.502 84 L N 0.011 121.287 121.223 0.088 0.000 2.341 84 L HA 0.747 5.087 4.340 0.001 0.000 0.267 84 L C 1.020 177.975 176.870 0.140 0.000 1.009 84 L CA -0.661 54.247 54.840 0.113 0.000 0.819 84 L CB 2.214 44.334 42.059 0.101 0.000 1.323 84 L HN 0.334 nan 8.230 nan 0.000 0.425 85 T N -0.374 114.297 114.554 0.195 0.000 2.862 85 T HA 0.684 5.035 4.350 0.001 0.000 0.276 85 T C -0.649 174.151 174.700 0.167 0.000 0.974 85 T CA -0.684 61.529 62.100 0.190 0.000 0.966 85 T CB 1.881 70.900 68.868 0.252 0.000 1.072 85 T HN 0.363 nan 8.240 nan 0.000 0.538 86 L N 0.125 121.410 121.223 0.104 0.000 2.408 86 L HA 0.480 4.820 4.340 0.001 0.000 0.268 86 L C -0.958 175.901 176.870 -0.019 0.000 0.986 86 L CA -0.536 54.334 54.840 0.051 0.000 0.820 86 L CB 2.265 44.339 42.059 0.024 0.000 1.303 86 L HN 0.761 nan 8.230 nan 0.000 0.411 87 Q N 3.704 123.463 119.800 -0.068 0.000 2.372 87 Q HA 0.710 5.050 4.340 0.001 0.000 0.259 87 Q C -0.892 175.044 176.000 -0.107 0.000 0.993 87 Q CA -0.650 55.070 55.803 -0.139 0.000 0.854 87 Q CB 1.864 30.470 28.738 -0.221 0.000 1.231 87 Q HN 0.760 nan 8.270 nan 0.000 0.462 88 A N 4.281 127.021 122.820 -0.133 0.000 2.276 88 A HA 0.568 4.889 4.320 0.001 0.000 0.316 88 A C -0.402 177.025 177.584 -0.262 0.000 1.229 88 A CA -0.573 51.358 52.037 -0.176 0.000 0.851 88 A CB 0.379 19.278 19.000 -0.168 0.000 1.165 88 A HN 0.769 nan 8.150 nan 0.000 0.513 89 I N 3.426 123.832 120.570 -0.273 0.000 2.331 89 I HA 0.185 4.356 4.170 0.001 0.000 0.292 89 I C -0.052 175.824 176.117 -0.402 0.000 0.998 89 I CA -0.383 60.738 61.300 -0.299 0.000 1.267 89 I CB 1.390 39.225 38.000 -0.276 0.000 1.386 89 I HN 0.501 nan 8.210 nan 0.000 0.476 90 M N 5.212 124.574 119.600 -0.397 0.000 2.557 90 M HA 0.145 4.626 4.480 0.001 0.000 0.328 90 M C -0.087 175.754 176.300 -0.765 0.000 1.423 90 M CA 0.191 55.153 55.300 -0.564 0.000 1.418 90 M CB -0.314 32.053 32.600 -0.389 0.000 1.381 90 M HN 0.413 nan 8.290 nan 0.000 0.467 91 S N 3.413 118.697 115.700 -0.694 0.000 2.681 91 S HA 0.288 4.758 4.470 0.001 0.000 0.313 91 S C 0.400 174.759 174.600 -0.402 0.000 1.137 91 S CA -0.403 57.482 58.200 -0.525 0.000 1.045 91 S CB -0.427 62.219 63.200 -0.923 0.000 1.208 91 S HN 0.399 nan 8.310 nan 0.000 0.523 92 F N 2.963 122.955 119.950 0.070 0.000 2.663 92 F HA 0.174 4.701 4.527 0.001 0.000 0.299 92 F C 1.502 177.613 175.800 0.517 0.000 1.143 92 F CA -0.499 57.574 58.000 0.122 0.000 1.387 92 F CB -0.231 38.505 39.000 -0.439 0.000 1.019 92 F HN 0.573 nan 8.300 nan 0.000 0.523 93 H N -1.365 118.026 119.070 0.535 0.000 2.812 93 H HA 0.427 4.984 4.556 0.002 0.000 0.355 93 H C -0.747 174.870 175.328 0.482 0.000 1.207 93 H CA -1.163 55.206 56.048 0.535 0.000 1.217 93 H CB 0.912 30.906 29.762 0.387 0.000 1.874 93 H HN 0.168 nan 8.280 nan 0.000 0.581 94 Q N 0.655 120.678 119.800 0.372 0.000 2.259 94 Q HA 0.381 4.722 4.340 0.001 0.000 0.246 94 Q C -1.051 175.023 176.000 0.124 0.000 0.920 94 Q CA -0.680 55.206 55.803 0.138 0.000 0.895 94 Q CB 1.357 30.151 28.738 0.094 0.000 1.220 94 Q HN 0.608 nan 8.270 nan 0.000 0.439 95 C N 2.581 121.769 119.300 -0.186 0.000 2.329 95 C HA 0.861 5.321 4.460 0.001 0.000 0.329 95 C C 0.969 175.887 174.990 -0.121 0.000 1.275 95 C CA 0.933 59.849 59.018 -0.169 0.000 1.726 95 C CB 0.115 27.477 27.740 -0.630 0.000 2.291 95 C HN 1.061 nan 8.230 nan 0.000 0.514 96 G N 3.565 112.351 108.800 -0.024 0.000 3.675 96 G HA2 -0.015 3.945 3.960 0.001 0.000 0.206 96 G HA3 -0.015 3.945 3.960 0.001 0.000 0.206 96 G C 0.971 175.871 174.900 0.000 0.000 1.086 96 G CA 0.360 45.442 45.100 -0.030 0.000 0.894 96 G HN 1.310 nan 8.290 nan 0.000 0.412 97 G N 0.614 109.424 108.800 0.016 0.000 3.042 97 G HA2 0.337 4.298 3.960 0.001 0.000 0.212 97 G HA3 0.337 4.298 3.960 0.001 0.000 0.212 97 G C 0.342 175.260 174.900 0.029 0.000 1.166 97 G CA 0.310 45.419 45.100 0.016 0.000 0.767 97 G HN 0.404 nan 8.290 nan 0.000 0.546 98 N N -0.324 118.403 118.700 0.045 0.000 2.471 98 N HA 0.251 4.991 4.740 0.001 0.000 0.288 98 N C -0.430 175.124 175.510 0.073 0.000 1.220 98 N CA -0.621 52.463 53.050 0.057 0.000 0.893 98 N CB 2.242 40.757 38.487 0.047 0.000 1.256 98 N HN -0.145 nan 8.380 nan 0.000 0.534 99 V N 0.900 120.871 119.914 0.094 0.000 2.584 99 V HA 0.185 4.306 4.120 0.001 0.000 0.303 99 V C 1.358 177.483 176.094 0.052 0.000 1.035 99 V CA 1.924 64.269 62.300 0.074 0.000 1.172 99 V CB -0.451 31.421 31.823 0.083 0.000 0.896 99 V HN 0.997 nan 8.190 nan 0.000 0.486 100 G N 4.754 113.576 108.800 0.036 0.000 2.199 100 G HA2 -0.212 3.748 3.960 0.001 0.000 0.254 100 G HA3 -0.212 3.748 3.960 0.001 0.000 0.254 100 G C -0.033 174.893 174.900 0.044 0.000 0.982 100 G CA 0.210 45.329 45.100 0.031 0.000 0.632 100 G HN 0.809 nan 8.290 nan 0.000 0.529 101 D N 1.061 121.491 120.400 0.050 0.000 2.398 101 D HA 0.349 4.989 4.640 0.001 0.000 0.250 101 D C 1.947 178.258 176.300 0.018 0.000 1.287 101 D CA 0.183 54.211 54.000 0.047 0.000 0.992 101 D CB -0.101 40.727 40.800 0.047 0.000 1.071 101 D HN 0.630 nan 8.370 nan 0.000 0.514 102 I N -0.524 120.057 120.570 0.018 0.000 3.684 102 I HA 0.151 4.322 4.170 0.001 0.000 0.304 102 I C 0.364 176.471 176.117 -0.016 0.000 1.278 102 I CA -0.103 61.200 61.300 0.004 0.000 1.272 102 I CB 0.314 38.322 38.000 0.013 0.000 1.029 102 I HN 0.006 nan 8.210 nan 0.000 0.458 103 V N 1.484 121.376 119.914 -0.036 0.000 2.962 103 V HA 0.432 4.553 4.120 0.001 0.000 0.313 103 V C -1.293 174.726 176.094 -0.125 0.000 1.099 103 V CA -0.616 61.639 62.300 -0.075 0.000 0.971 103 V CB 2.439 34.213 31.823 -0.081 0.000 1.028 103 V HN 0.363 nan 8.190 nan 0.000 0.430 104 N N 5.981 124.601 118.700 -0.133 0.000 2.457 104 N HA 0.592 5.332 4.740 0.001 0.000 0.250 104 N C -1.053 174.322 175.510 -0.226 0.000 0.982 104 N CA -0.309 52.648 53.050 -0.155 0.000 0.941 104 N CB 1.178 39.603 38.487 -0.104 0.000 1.120 104 N HN 0.531 nan 8.380 nan 0.000 0.505 105 I N 3.355 123.726 120.570 -0.331 0.000 2.495 105 I HA 0.324 4.495 4.170 0.001 0.000 0.277 105 I C -2.467 173.465 176.117 -0.307 0.000 1.045 105 I CA -2.014 59.036 61.300 -0.418 0.000 1.135 105 I CB 1.480 38.963 38.000 -0.861 0.000 1.241 105 I HN 0.221 nan 8.210 nan 0.000 0.469 106 P HA 0.279 nan 4.420 nan 0.000 0.274 106 P C -0.031 177.171 177.300 -0.163 0.000 1.256 106 P CA -0.413 62.602 63.100 -0.142 0.000 0.795 106 P CB 0.666 32.291 31.700 -0.125 0.000 1.038 107 I N -2.631 117.841 120.570 -0.164 0.000 3.079 107 I HA 0.367 4.537 4.170 0.001 0.000 0.295 107 I C -2.267 173.520 176.117 -0.550 0.000 1.094 107 I CA -2.659 58.422 61.300 -0.366 0.000 1.295 107 I CB -0.730 37.087 38.000 -0.304 0.000 1.443 107 I HN 0.105 nan 8.210 nan 0.000 0.607 108 P HA -0.106 nan 4.420 nan 0.000 0.261 108 P C -0.019 176.951 177.300 -0.550 0.000 1.165 108 P CA 0.482 63.111 63.100 -0.785 0.000 0.759 108 P CB 0.436 31.373 31.700 -1.271 0.000 0.772 109 Q N 5.239 124.898 119.800 -0.234 0.000 2.096 109 Q HA -0.181 4.159 4.340 0.001 0.000 0.204 109 Q C 1.605 177.597 176.000 -0.013 0.000 0.982 109 Q CA 2.030 57.782 55.803 -0.084 0.000 0.850 109 Q CB -0.656 28.091 28.738 0.015 0.000 0.901 109 Q HN 0.689 nan 8.270 nan 0.000 0.422 110 W N -1.110 120.184 121.300 -0.010 0.000 2.392 110 W HA -0.032 4.627 4.660 -0.001 0.000 0.279 110 W C 1.236 177.826 176.519 0.118 0.000 1.225 110 W CA 0.884 58.270 57.345 0.068 0.000 1.233 110 W CB -0.802 28.704 29.460 0.078 0.000 1.122 110 W HN 0.010 nan 8.180 nan 0.000 0.561 111 V N 1.630 121.194 119.914 -0.584 0.000 2.407 111 V HA -0.254 3.867 4.120 0.001 0.000 0.245 111 V C 2.573 178.623 176.094 -0.072 0.000 1.041 111 V CA 1.191 63.219 62.300 -0.454 0.000 1.040 111 V CB -0.888 30.445 31.823 -0.816 0.000 0.671 111 V HN 0.010 nan 8.190 nan 0.000 0.455 112 L N 0.190 121.375 121.223 -0.063 0.000 2.083 112 L HA -0.166 4.174 4.340 0.001 0.000 0.209 112 L C 2.160 179.122 176.870 0.154 0.000 1.083 112 L CA 1.798 56.707 54.840 0.116 0.000 0.752 112 L CB -1.108 40.974 42.059 0.039 0.000 0.899 112 L HN 0.341 nan 8.230 nan 0.000 0.433 113 D N -0.595 119.883 120.400 0.130 0.000 2.117 113 D HA -0.166 4.474 4.640 0.001 0.000 0.197 113 D C 2.357 178.748 176.300 0.153 0.000 0.987 113 D CA 1.264 55.357 54.000 0.155 0.000 0.829 113 D CB 0.017 40.931 40.800 0.190 0.000 0.961 113 D HN 0.338 nan 8.370 nan 0.000 0.460 114 I N 0.745 121.404 120.570 0.149 0.000 2.394 114 I HA -0.120 4.051 4.170 0.001 0.000 0.251 114 I C 2.450 178.609 176.117 0.070 0.000 1.136 114 I CA 1.019 62.366 61.300 0.079 0.000 1.425 114 I CB -0.314 37.718 38.000 0.054 0.000 1.079 114 I HN -0.013 nan 8.210 nan 0.000 0.425 115 G N 0.201 109.078 108.800 0.128 0.000 2.509 115 G HA2 -0.167 3.793 3.960 0.001 0.000 0.218 115 G HA3 -0.167 3.793 3.960 0.001 0.000 0.218 115 G C 1.511 176.648 174.900 0.396 0.000 1.124 115 G CA 0.278 45.497 45.100 0.197 0.000 0.776 115 G HN 0.258 nan 8.290 nan 0.000 0.547 116 E N 1.006 121.382 120.200 0.292 0.000 2.150 116 E HA -0.092 4.258 4.350 0.001 0.000 0.193 116 E C 2.860 179.597 176.600 0.228 0.000 0.985 116 E CA 1.313 57.894 56.400 0.302 0.000 0.814 116 E CB -0.048 29.766 29.700 0.189 0.000 0.752 116 E HN 0.607 nan 8.360 nan 0.000 0.466 117 S N -0.562 115.200 115.700 0.104 0.000 2.483 117 S HA 0.029 4.500 4.470 0.001 0.000 0.221 117 S C 0.915 175.458 174.600 -0.095 0.000 1.030 117 S CA -0.157 58.034 58.200 -0.016 0.000 0.925 117 S CB 0.023 63.218 63.200 -0.007 0.000 0.795 117 S HN 0.093 nan 8.310 nan 0.000 0.511 118 N N 0.233 118.920 118.700 -0.022 0.000 2.682 118 N HA 0.313 5.054 4.740 0.001 0.000 0.252 118 N C 0.027 175.598 175.510 0.101 0.000 1.081 118 N CA -0.398 52.636 53.050 -0.027 0.000 0.844 118 N CB 0.496 38.956 38.487 -0.045 0.000 1.167 118 N HN 0.312 nan 8.380 nan 0.000 0.523 119 H N 0.717 119.848 119.070 0.102 0.000 2.521 119 H HA -0.044 4.512 4.556 0.001 0.000 0.286 119 H C 0.287 175.733 175.328 0.197 0.000 1.034 119 H CA 0.412 56.586 56.048 0.210 0.000 1.278 119 H CB 0.526 30.411 29.762 0.204 0.000 1.386 119 H HN 0.570 nan 8.280 nan 0.000 0.567 120 D N 1.345 121.886 120.400 0.236 0.000 2.352 120 D HA -0.030 4.610 4.640 0.001 0.000 0.232 120 D C 1.690 178.128 176.300 0.230 0.000 1.055 120 D CA 0.373 54.518 54.000 0.243 0.000 0.891 120 D CB 0.179 41.071 40.800 0.152 0.000 0.897 120 D HN 0.662 nan 8.370 nan 0.000 0.529 121 I N -3.290 117.254 120.570 -0.043 0.000 3.684 121 I HA 0.110 4.281 4.170 0.001 0.000 0.304 121 I C -0.186 175.715 176.117 -0.360 0.000 1.278 121 I CA 0.118 61.273 61.300 -0.242 0.000 1.272 121 I CB -0.121 37.655 38.000 -0.374 0.000 1.029 121 I HN -0.332 nan 8.210 nan 0.000 0.458 122 F N 0.123 120.142 119.950 0.115 0.000 2.507 122 F HA 0.511 5.039 4.527 0.001 0.000 0.327 122 F C 0.007 175.887 175.800 0.134 0.000 1.068 122 F CA -1.225 56.824 58.000 0.081 0.000 0.965 122 F CB 0.343 39.418 39.000 0.125 0.000 1.192 122 F HN -0.240 nan 8.300 nan 0.000 0.476 123 Y N 0.858 121.410 120.300 0.419 0.000 2.712 123 Y HA 0.242 4.792 4.550 0.001 0.000 0.333 123 Y C 0.656 176.751 175.900 0.325 0.000 1.225 123 Y CA 0.154 58.463 58.100 0.348 0.000 1.499 123 Y CB 0.063 38.718 38.460 0.325 0.000 1.288 123 Y HN 0.428 nan 8.280 nan 0.000 0.575 124 T N 4.881 119.743 114.554 0.512 0.000 2.886 124 T HA 0.281 4.631 4.350 0.001 0.000 0.292 124 T C -0.407 174.534 174.700 0.402 0.000 1.012 124 T CA -1.235 61.100 62.100 0.392 0.000 0.982 124 T CB 0.976 70.055 68.868 0.352 0.000 1.018 124 T HN 0.612 nan 8.240 nan 0.000 0.451 125 N N 1.649 120.503 118.700 0.257 0.000 2.447 125 N HA 0.254 4.995 4.740 0.001 0.000 0.271 125 N C 1.088 176.436 175.510 -0.270 0.000 1.226 125 N CA -0.985 52.135 53.050 0.118 0.000 0.980 125 N CB 0.804 39.326 38.487 0.059 0.000 1.206 125 N HN 0.559 nan 8.380 nan 0.000 0.558 126 R N -0.168 119.833 120.500 -0.831 0.000 2.139 126 R HA -0.072 4.269 4.340 0.001 0.000 0.243 126 R C 1.223 177.248 176.300 -0.459 0.000 1.145 126 R CA 1.691 57.106 56.100 -1.143 0.000 0.976 126 R CB -0.283 29.439 30.300 -0.963 0.000 0.866 126 R HN 0.648 nan 8.270 nan 0.000 0.449 127 S N -1.128 114.413 115.700 -0.265 0.000 2.515 127 S HA 0.082 4.553 4.470 0.001 0.000 0.231 127 S C 1.080 175.647 174.600 -0.054 0.000 0.987 127 S CA 0.844 58.970 58.200 -0.124 0.000 0.936 127 S CB 0.585 63.745 63.200 -0.067 0.000 0.766 127 S HN 0.742 nan 8.310 nan 0.000 0.528 128 G N 1.104 109.883 108.800 -0.036 0.000 2.157 128 G HA2 -0.224 3.736 3.960 0.001 0.000 0.239 128 G HA3 -0.224 3.736 3.960 0.001 0.000 0.239 128 G C 0.118 175.064 174.900 0.077 0.000 0.982 128 G CA 0.131 45.256 45.100 0.042 0.000 0.650 128 G HN 0.449 nan 8.290 nan 0.000 0.527 129 T N 2.970 117.572 114.554 0.080 0.000 2.814 129 T HA 0.486 4.836 4.350 0.001 0.000 0.297 129 T C 0.597 175.372 174.700 0.125 0.000 0.956 129 T CA -0.198 61.956 62.100 0.090 0.000 1.123 129 T CB 0.777 69.710 68.868 0.109 0.000 0.902 129 T HN 0.365 nan 8.240 nan 0.000 0.528 130 R N 3.355 123.907 120.500 0.085 0.000 2.297 130 R HA 0.346 4.687 4.340 0.001 0.000 0.308 130 R C -0.132 176.185 176.300 0.028 0.000 1.029 130 R CA -0.785 55.385 56.100 0.117 0.000 0.929 130 R CB 0.132 30.491 30.300 0.097 0.000 1.046 130 R HN 0.455 nan 8.270 nan 0.000 0.461 131 N N 2.215 120.988 118.700 0.122 0.000 2.437 131 N HA 0.103 4.844 4.740 0.001 0.000 0.259 131 N C -0.256 175.232 175.510 -0.036 0.000 0.983 131 N CA -0.251 52.840 53.050 0.069 0.000 0.937 131 N CB 1.020 39.631 38.487 0.205 0.000 1.122 131 N HN 0.418 nan 8.380 nan 0.000 0.499 132 K N 1.995 122.231 120.400 -0.273 0.000 2.437 132 K HA 0.025 4.346 4.320 0.001 0.000 0.198 132 K C 0.923 177.531 176.600 0.013 0.000 1.024 132 K CA 0.095 56.111 56.287 -0.452 0.000 1.148 132 K CB 0.423 32.514 32.500 -0.681 0.000 0.860 132 K HN 0.665 nan 8.250 nan 0.000 0.515 133 E N -0.159 120.128 120.200 0.145 0.000 2.358 133 E HA -0.113 4.237 4.350 0.001 0.000 0.195 133 E C -0.115 176.750 176.600 0.442 0.000 1.010 133 E CA 0.552 57.099 56.400 0.243 0.000 0.856 133 E CB 0.031 29.857 29.700 0.209 0.000 0.795 133 E HN 0.190 nan 8.360 nan 0.000 0.504 134 Y N -0.141 120.345 120.300 0.311 0.000 2.558 134 Y HA 0.310 4.861 4.550 0.001 0.000 0.333 134 Y C -1.621 174.419 175.900 0.233 0.000 1.125 134 Y CA -1.483 56.806 58.100 0.315 0.000 1.039 134 Y CB 1.351 39.997 38.460 0.310 0.000 1.331 134 Y HN -0.115 nan 8.280 nan 0.000 0.456 135 L N 3.775 124.780 121.223 -0.363 0.000 2.360 135 L HA 0.244 4.585 4.340 0.001 0.000 0.276 135 L C 0.795 177.377 176.870 -0.481 0.000 1.121 135 L CA 0.368 55.003 54.840 -0.341 0.000 0.845 135 L CB 0.691 42.529 42.059 -0.368 0.000 1.143 135 L HN 0.773 nan 8.230 nan 0.000 0.452 136 T N 2.203 116.437 114.554 -0.534 0.000 2.946 136 T HA -0.007 4.344 4.350 0.001 0.000 0.311 136 T C 1.440 175.938 174.700 -0.337 0.000 1.063 136 T CA 0.372 61.994 62.100 -0.797 0.000 1.139 136 T CB 0.541 69.166 68.868 -0.404 0.000 0.994 136 T HN 0.507 nan 8.240 nan 0.000 0.547 137 V N 4.813 124.603 119.914 -0.207 0.000 2.828 137 V HA 0.031 4.152 4.120 0.001 0.000 0.260 137 V C 2.230 178.317 176.094 -0.011 0.000 1.101 137 V CA 2.567 64.807 62.300 -0.100 0.000 1.123 137 V CB -1.193 30.531 31.823 -0.166 0.000 0.704 137 V HN 1.065 nan 8.190 nan 0.000 0.493 138 G N 0.075 108.883 108.800 0.013 0.000 2.470 138 G HA2 -0.171 3.789 3.960 0.001 0.000 0.220 138 G HA3 -0.171 3.789 3.960 0.001 0.000 0.220 138 G C 1.308 176.114 174.900 -0.156 0.000 1.121 138 G CA 1.364 46.499 45.100 0.058 0.000 0.766 138 G HN 1.096 nan 8.290 nan 0.000 0.553 139 V N -2.723 117.047 119.914 -0.240 0.000 3.271 139 V HA 0.272 4.393 4.120 0.001 0.000 0.327 139 V C 1.289 177.301 176.094 -0.137 0.000 1.389 139 V CA 0.217 62.321 62.300 -0.327 0.000 1.156 139 V CB 0.382 32.007 31.823 -0.329 0.000 1.103 139 V HN -0.072 nan 8.190 nan 0.000 0.453 140 D N 2.977 123.330 120.400 -0.078 0.000 2.133 140 D HA -0.167 4.473 4.640 0.001 0.000 0.195 140 D C 1.113 177.372 176.300 -0.069 0.000 0.997 140 D CA 2.219 56.193 54.000 -0.044 0.000 0.840 140 D CB -0.164 40.675 40.800 0.065 0.000 0.947 140 D HN 0.702 nan 8.370 nan 0.000 0.452 141 N N 0.142 118.812 118.700 -0.051 0.000 2.401 141 N HA 0.078 4.818 4.740 0.001 0.000 0.264 141 N C -0.846 174.635 175.510 -0.048 0.000 1.238 141 N CA -0.149 52.878 53.050 -0.039 0.000 0.889 141 N CB 0.941 39.422 38.487 -0.011 0.000 1.196 141 N HN -0.072 nan 8.380 nan 0.000 0.511 142 E N 1.647 121.794 120.200 -0.088 0.000 2.109 142 E HA 0.159 4.509 4.350 0.001 0.000 0.278 142 E C -2.220 174.325 176.600 -0.093 0.000 0.954 142 E CA -1.984 54.341 56.400 -0.124 0.000 0.779 142 E CB 1.558 31.082 29.700 -0.294 0.000 1.093 142 E HN 0.136 nan 8.360 nan 0.000 0.401 143 P HA 0.092 nan 4.420 nan 0.000 0.225 143 P C 0.615 177.855 177.300 -0.100 0.000 1.768 143 P CA 0.200 63.279 63.100 -0.035 0.000 0.943 143 P CB -0.705 30.988 31.700 -0.013 0.000 1.936 144 I N -5.073 115.342 120.570 -0.259 0.000 3.976 144 I HA 0.326 4.496 4.170 0.001 0.000 0.337 144 I C -0.340 175.412 176.117 -0.608 0.000 1.359 144 I CA -0.417 60.620 61.300 -0.438 0.000 1.098 144 I CB -0.269 37.398 38.000 -0.554 0.000 1.027 144 I HN -0.262 nan 8.210 nan 0.000 0.394 145 F N 3.516 123.441 119.950 -0.042 0.000 2.344 145 F HA 0.460 4.987 4.527 0.000 0.000 0.344 145 F C 0.412 176.281 175.800 0.115 0.000 1.140 145 F CA -0.780 57.241 58.000 0.035 0.000 1.256 145 F CB -0.552 38.541 39.000 0.154 0.000 1.573 145 F HN 0.145 nan 8.300 nan 0.000 0.547 146 H N 0.958 120.137 119.070 0.181 0.000 2.713 146 H HA -0.203 4.353 4.556 0.001 0.000 0.311 146 H C 1.527 176.897 175.328 0.069 0.000 1.175 146 H CA 0.872 56.978 56.048 0.097 0.000 1.143 146 H CB -1.172 28.627 29.762 0.061 0.000 1.434 146 H HN 0.934 nan 8.280 nan 0.000 0.418 147 G N -0.708 108.163 108.800 0.119 0.000 2.258 147 G HA2 -0.295 3.666 3.960 0.001 0.000 0.233 147 G HA3 -0.295 3.666 3.960 0.001 0.000 0.233 147 G C 0.499 175.455 174.900 0.093 0.000 1.006 147 G CA 0.312 45.463 45.100 0.085 0.000 0.620 147 G HN 0.547 nan 8.290 nan 0.000 0.511 148 R N 1.058 121.652 120.500 0.157 0.000 2.643 148 R HA 0.621 4.961 4.340 0.001 0.000 0.272 148 R C 0.707 177.120 176.300 0.188 0.000 0.995 148 R CA 0.127 56.315 56.100 0.147 0.000 1.032 148 R CB 1.088 31.486 30.300 0.163 0.000 1.126 148 R HN 0.370 nan 8.270 nan 0.000 0.505 149 T N -2.005 112.602 114.554 0.089 0.000 2.881 149 T HA 0.346 4.697 4.350 0.001 0.000 0.278 149 T C 1.289 175.944 174.700 -0.075 0.000 0.982 149 T CA -0.380 61.762 62.100 0.070 0.000 0.989 149 T CB 1.600 70.453 68.868 -0.025 0.000 1.058 149 T HN 0.585 nan 8.240 nan 0.000 0.529 150 A N 0.537 123.234 122.820 -0.204 0.000 1.933 150 A HA 0.040 4.361 4.320 0.001 0.000 0.218 150 A C 2.273 179.194 177.584 -1.105 0.000 1.175 150 A CA 1.264 52.843 52.037 -0.762 0.000 0.628 150 A CB -1.093 17.511 19.000 -0.660 0.000 0.814 150 A HN 0.865 nan 8.150 nan 0.000 0.444 151 I N -0.490 119.728 120.570 -0.587 0.000 2.315 151 I HA -0.236 3.935 4.170 0.001 0.000 0.248 151 I C 2.398 178.325 176.117 -0.316 0.000 1.117 151 I CA 1.426 62.476 61.300 -0.416 0.000 1.404 151 I CB -0.457 37.446 38.000 -0.162 0.000 1.071 151 I HN 0.438 nan 8.210 nan 0.000 0.419 152 E N 0.956 121.022 120.200 -0.223 0.000 2.110 152 E HA -0.191 4.159 4.350 0.001 0.000 0.193 152 E C 2.275 178.814 176.600 -0.102 0.000 0.988 152 E CA 1.156 57.494 56.400 -0.105 0.000 0.804 152 E CB -0.047 29.632 29.700 -0.034 0.000 0.745 152 E HN 0.512 nan 8.360 nan 0.000 0.458 153 I N 0.479 120.905 120.570 -0.240 0.000 2.179 153 I HA -0.285 3.886 4.170 0.001 0.000 0.242 153 I C 2.087 178.101 176.117 -0.171 0.000 1.088 153 I CA 1.104 62.309 61.300 -0.157 0.000 1.357 153 I CB -0.344 37.463 38.000 -0.322 0.000 1.051 153 I HN 0.106 nan 8.210 nan 0.000 0.409 154 Y N 0.272 120.256 120.300 -0.527 0.000 2.165 154 Y HA -0.234 4.316 4.550 0.000 0.000 0.286 154 Y C 3.014 178.807 175.900 -0.179 0.000 1.155 154 Y CA 1.156 58.782 58.100 -0.790 0.000 1.164 154 Y CB -1.409 36.392 38.460 -1.099 0.000 0.978 154 Y HN 0.129 nan 8.280 nan 0.000 0.513 155 S N -0.225 115.492 115.700 0.027 0.000 2.356 155 S HA -0.168 4.303 4.470 0.001 0.000 0.223 155 S C 1.758 176.427 174.600 0.116 0.000 1.032 155 S CA 1.549 59.787 58.200 0.063 0.000 1.005 155 S CB -0.343 62.865 63.200 0.013 0.000 0.867 155 S HN 0.409 nan 8.310 nan 0.000 0.449 156 D N -0.313 120.182 120.400 0.158 0.000 2.144 156 D HA -0.096 4.544 4.640 0.001 0.000 0.199 156 D C 1.569 178.040 176.300 0.286 0.000 0.984 156 D CA 1.056 55.193 54.000 0.229 0.000 0.834 156 D CB -0.467 40.522 40.800 0.316 0.000 0.955 156 D HN 0.591 nan 8.370 nan 0.000 0.465 157 Y N 0.934 121.381 120.300 0.245 0.000 2.145 157 Y HA -0.172 4.378 4.550 0.000 0.000 0.286 157 Y C 2.388 178.414 175.900 0.210 0.000 1.145 157 Y CA 1.536 59.800 58.100 0.273 0.000 1.148 157 Y CB -0.145 38.604 38.460 0.483 0.000 0.981 157 Y HN -0.128 nan 8.280 nan 0.000 0.507 158 M N -0.290 119.513 119.600 0.339 0.000 2.229 158 M HA -0.192 4.289 4.480 0.001 0.000 0.264 158 M C 2.017 178.200 176.300 -0.196 0.000 1.063 158 M CA 1.635 57.002 55.300 0.111 0.000 1.114 158 M CB -0.231 32.459 32.600 0.149 0.000 1.387 158 M HN 0.128 nan 8.290 nan 0.000 0.420 159 K N -0.351 119.962 120.400 -0.146 0.000 2.097 159 K HA -0.098 4.223 4.320 0.001 0.000 0.205 159 K C 2.269 178.755 176.600 -0.190 0.000 1.050 159 K CA 1.506 57.672 56.287 -0.201 0.000 0.938 159 K CB -0.247 32.199 32.500 -0.091 0.000 0.718 159 K HN 0.170 nan 8.250 nan 0.000 0.442 160 S N 0.583 116.188 115.700 -0.159 0.000 2.383 160 S HA -0.151 4.319 4.470 0.001 0.000 0.227 160 S C 1.766 176.090 174.600 -0.461 0.000 1.026 160 S CA 0.838 58.919 58.200 -0.200 0.000 0.981 160 S CB -0.286 62.724 63.200 -0.316 0.000 0.818 160 S HN 0.329 nan 8.310 nan 0.000 0.472 161 F N 3.165 122.679 119.950 -0.726 0.000 2.102 161 F HA -0.027 4.500 4.527 0.000 0.000 0.298 161 F C 2.577 178.015 175.800 -0.603 0.000 1.105 161 F CA 1.948 59.292 58.000 -1.093 0.000 1.239 161 F CB -0.487 38.093 39.000 -0.701 0.000 0.991 161 F HN 0.113 nan 8.300 nan 0.000 0.474 162 R N 1.047 121.378 120.500 -0.282 0.000 2.083 162 R HA -0.194 4.147 4.340 0.001 0.000 0.237 162 R C 2.011 178.144 176.300 -0.278 0.000 1.137 162 R CA 2.382 58.347 56.100 -0.224 0.000 0.951 162 R CB -0.694 29.393 30.300 -0.356 0.000 0.851 162 R HN 0.476 nan 8.270 nan 0.000 0.434 163 E N -0.207 119.822 120.200 -0.284 0.000 2.072 163 E HA -0.065 4.285 4.350 0.001 0.000 0.190 163 E C 1.786 178.230 176.600 -0.261 0.000 0.982 163 E CA 0.795 57.065 56.400 -0.217 0.000 0.803 163 E CB -0.092 29.520 29.700 -0.146 0.000 0.755 163 E HN 0.412 nan 8.360 nan 0.000 0.453 164 N N 0.040 118.497 118.700 -0.405 0.000 2.457 164 N HA -0.017 4.723 4.740 0.001 0.000 0.180 164 N C 0.859 176.124 175.510 -0.409 0.000 1.050 164 N CA 0.732 53.544 53.050 -0.398 0.000 0.906 164 N CB 0.300 38.456 38.487 -0.552 0.000 0.968 164 N HN 0.167 nan 8.380 nan 0.000 0.445 165 M N 0.136 119.418 119.600 -0.530 0.000 2.484 165 M HA 0.141 4.622 4.480 0.001 0.000 0.307 165 M C 1.607 177.771 176.300 -0.226 0.000 1.149 165 M CA 0.064 55.140 55.300 -0.373 0.000 0.972 165 M CB -0.384 31.757 32.600 -0.765 0.000 1.400 165 M HN -0.032 nan 8.290 nan 0.000 0.508 166 S N 1.533 117.098 115.700 -0.225 0.000 2.387 166 S HA -0.213 4.258 4.470 0.001 0.000 0.230 166 S C 1.421 175.937 174.600 -0.141 0.000 1.035 166 S CA 1.971 60.082 58.200 -0.148 0.000 1.014 166 S CB -0.637 62.483 63.200 -0.133 0.000 0.836 166 S HN 0.582 nan 8.310 nan 0.000 0.466 167 D N 1.133 121.392 120.400 -0.236 0.000 2.144 167 D HA -0.127 4.514 4.640 0.001 0.000 0.200 167 D C 1.602 177.738 176.300 -0.273 0.000 0.978 167 D CA 0.874 54.697 54.000 -0.295 0.000 0.833 167 D CB -0.805 39.735 40.800 -0.433 0.000 0.961 167 D HN 0.490 nan 8.370 nan 0.000 0.470 168 F N 0.900 120.802 119.950 -0.079 0.000 2.186 168 F HA 0.096 4.623 4.527 0.000 0.000 0.299 168 F C 2.604 178.381 175.800 -0.038 0.000 1.090 168 F CA 0.404 58.371 58.000 -0.055 0.000 1.307 168 F CB -0.663 38.293 39.000 -0.074 0.000 1.019 168 F HN -0.100 nan 8.300 nan 0.000 0.489 169 L N -0.249 121.041 121.223 0.112 0.000 2.046 169 L HA -0.203 4.137 4.340 0.001 0.000 0.208 169 L C 2.323 179.224 176.870 0.051 0.000 1.077 169 L CA 1.494 56.380 54.840 0.078 0.000 0.747 169 L CB -0.609 41.488 42.059 0.063 0.000 0.896 169 L HN 0.156 nan 8.230 nan 0.000 0.432 170 E N -0.342 119.866 120.200 0.014 0.000 2.150 170 E HA -0.176 4.175 4.350 0.001 0.000 0.193 170 E C 2.107 178.715 176.600 0.013 0.000 0.985 170 E CA 1.438 57.839 56.400 0.002 0.000 0.814 170 E CB -0.068 29.616 29.700 -0.028 0.000 0.752 170 E HN 0.499 nan 8.360 nan 0.000 0.466 171 S N -0.433 115.281 115.700 0.023 0.000 2.607 171 S HA 0.110 4.581 4.470 0.001 0.000 0.224 171 S C 1.541 176.180 174.600 0.066 0.000 0.969 171 S CA 0.378 58.602 58.200 0.041 0.000 0.927 171 S CB 0.212 63.443 63.200 0.052 0.000 0.772 171 S HN 0.360 nan 8.310 nan 0.000 0.533 172 G N 0.801 109.643 108.800 0.070 0.000 2.160 172 G HA2 -0.265 3.696 3.960 0.001 0.000 0.251 172 G HA3 -0.265 3.696 3.960 0.001 0.000 0.251 172 G C 0.378 175.334 174.900 0.094 0.000 1.008 172 G CA 0.416 45.559 45.100 0.072 0.000 0.724 172 G HN 0.629 nan 8.290 nan 0.000 0.514 173 L N 0.160 121.456 121.223 0.122 0.000 2.027 173 L HA 0.370 4.710 4.340 0.001 0.000 0.206 173 L C 1.649 178.573 176.870 0.091 0.000 1.074 173 L CA 1.398 56.309 54.840 0.120 0.000 0.745 173 L CB -0.041 42.107 42.059 0.148 0.000 0.898 173 L HN 0.396 nan 8.230 nan 0.000 0.433 174 I N 0.162 120.782 120.570 0.083 0.000 2.396 174 I HA 0.010 4.181 4.170 0.001 0.000 0.289 174 I C 0.908 177.048 176.117 0.037 0.000 1.056 174 I CA -0.275 61.057 61.300 0.053 0.000 1.365 174 I CB 1.107 39.145 38.000 0.063 0.000 1.407 174 I HN 0.153 nan 8.210 nan 0.000 0.509 175 I N 4.527 125.112 120.570 0.025 0.000 2.429 175 I HA -0.035 4.136 4.170 0.001 0.000 0.247 175 I C 0.482 176.597 176.117 -0.003 0.000 1.099 175 I CA 1.234 62.557 61.300 0.038 0.000 1.422 175 I CB -0.212 37.828 38.000 0.068 0.000 1.112 175 I HN 0.763 nan 8.210 nan 0.000 0.430 176 D N -1.188 119.170 120.400 -0.069 0.000 2.602 176 D HA 0.350 4.991 4.640 0.001 0.000 0.236 176 D C -0.983 175.205 176.300 -0.186 0.000 1.209 176 D CA -0.466 53.470 54.000 -0.107 0.000 0.831 176 D CB 1.327 42.095 40.800 -0.054 0.000 1.478 176 D HN -0.236 nan 8.370 nan 0.000 0.438 177 I N 1.347 121.763 120.570 -0.257 0.000 2.328 177 I HA 0.217 4.388 4.170 0.001 0.000 0.287 177 I C -0.169 175.814 176.117 -0.224 0.000 1.012 177 I CA -0.630 60.468 61.300 -0.336 0.000 1.195 177 I CB 1.064 38.689 38.000 -0.625 0.000 1.350 177 I HN 0.437 nan 8.210 nan 0.000 0.464 178 E N 6.113 126.196 120.200 -0.195 0.000 2.089 178 E HA 0.221 4.572 4.350 0.001 0.000 0.284 178 E C -0.133 176.383 176.600 -0.140 0.000 1.023 178 E CA -0.462 55.853 56.400 -0.142 0.000 0.819 178 E CB 2.319 31.942 29.700 -0.129 0.000 1.076 178 E HN 0.443 nan 8.360 nan 0.000 0.396 179 V N 0.515 120.372 119.914 -0.095 0.000 2.389 179 V HA 0.476 4.597 4.120 0.001 0.000 0.264 179 V C 0.697 176.765 176.094 -0.043 0.000 1.049 179 V CA -0.740 61.531 62.300 -0.048 0.000 0.932 179 V CB 0.680 32.494 31.823 -0.015 0.000 1.011 179 V HN 0.592 nan 8.190 nan 0.000 0.475 180 G N 4.242 113.024 108.800 -0.030 0.000 2.340 180 G HA2 0.409 4.370 3.960 0.001 0.000 0.245 180 G HA3 0.409 4.370 3.960 0.001 0.000 0.245 180 G C 0.020 174.938 174.900 0.030 0.000 1.294 180 G CA -0.338 44.761 45.100 -0.002 0.000 0.896 180 G HN 0.759 nan 8.290 nan 0.000 0.522 181 L N 1.863 123.037 121.223 -0.083 0.000 3.184 181 L HA 0.468 4.809 4.340 0.001 0.000 0.283 181 L C 1.147 177.815 176.870 -0.337 0.000 1.218 181 L CA 0.641 55.448 54.840 -0.055 0.000 1.028 181 L CB 0.056 42.096 42.059 -0.031 0.000 1.400 181 L HN 0.943 nan 8.230 nan 0.000 0.591 182 G N -1.645 106.668 108.800 -0.812 0.000 2.336 182 G HA2 0.256 4.217 3.960 0.001 0.000 0.286 182 G HA3 0.256 4.217 3.960 0.001 0.000 0.286 182 G C -3.118 171.313 174.900 -0.781 0.000 1.269 182 G CA -0.661 43.623 45.100 -1.360 0.000 0.873 182 G HN -0.269 nan 8.290 nan 0.000 0.494 183 P HA 0.350 nan 4.420 nan 0.000 0.264 183 P C 0.689 177.777 177.300 -0.354 0.000 1.183 183 P CA 1.949 64.912 63.100 -0.229 0.000 0.763 183 P CB 1.075 32.663 31.700 -0.187 0.000 0.807 184 A N 3.591 126.183 122.820 -0.381 0.000 2.829 184 A HA -0.124 4.196 4.320 0.001 0.000 0.267 184 A C 1.590 178.729 177.584 -0.740 0.000 1.370 184 A CA 1.598 53.382 52.037 -0.421 0.000 0.900 184 A CB -2.442 16.472 19.000 -0.142 0.000 1.044 184 A HN 1.067 nan 8.150 nan 0.000 0.691 185 G N -2.154 105.941 108.800 -1.175 0.000 2.162 185 G HA2 -0.257 3.704 3.960 0.001 0.000 0.260 185 G HA3 -0.257 3.704 3.960 0.001 0.000 0.260 185 G C -0.168 174.546 174.900 -0.309 0.000 0.976 185 G CA 1.044 45.771 45.100 -0.621 0.000 0.655 185 G HN 1.236 nan 8.290 nan 0.000 0.533 186 E N -0.672 119.356 120.200 -0.287 0.000 2.242 186 E HA 0.539 4.890 4.350 0.001 0.000 0.275 186 E C -0.004 176.505 176.600 -0.151 0.000 1.002 186 E CA -1.076 55.236 56.400 -0.146 0.000 0.841 186 E CB 1.679 31.338 29.700 -0.068 0.000 1.109 186 E HN 0.156 nan 8.360 nan 0.000 0.394 187 L N 4.763 125.959 121.223 -0.044 0.000 2.462 187 L HA 0.146 4.487 4.340 0.001 0.000 0.283 187 L C -0.328 176.507 176.870 -0.059 0.000 1.166 187 L CA 0.803 55.619 54.840 -0.041 0.000 0.964 187 L CB -1.011 41.076 42.059 0.047 0.000 1.294 187 L HN 0.561 nan 8.230 nan 0.000 0.449 188 R N 2.029 122.366 120.500 -0.272 0.000 2.752 188 R HA 0.360 4.700 4.340 0.001 0.000 0.277 188 R C -1.590 174.388 176.300 -0.537 0.000 1.024 188 R CA -1.009 54.838 56.100 -0.423 0.000 0.866 188 R CB 0.431 30.573 30.300 -0.264 0.000 1.278 188 R HN 0.110 nan 8.270 nan 0.000 0.473 189 Y N 0.543 120.576 120.300 -0.446 0.000 2.335 189 Y HA 0.391 4.941 4.550 0.001 0.000 0.323 189 Y C -1.674 173.969 175.900 -0.428 0.000 1.224 189 Y CA -2.283 55.478 58.100 -0.565 0.000 1.241 189 Y CB 1.246 39.428 38.460 -0.464 0.000 1.235 189 Y HN 0.397 nan 8.280 nan 0.000 0.492 190 P HA 0.043 nan 4.420 nan 0.000 0.225 190 P C 0.090 177.299 177.300 -0.152 0.000 1.813 190 P CA 0.064 63.016 63.100 -0.246 0.000 1.013 190 P CB -0.040 31.597 31.700 -0.105 0.000 1.961 191 S N 0.358 115.999 115.700 -0.098 0.000 2.489 191 S HA -0.106 4.365 4.470 0.001 0.000 0.228 191 S C 0.701 175.346 174.600 0.075 0.000 0.995 191 S CA 0.174 58.425 58.200 0.084 0.000 0.934 191 S CB -0.992 62.284 63.200 0.125 0.000 0.771 191 S HN 0.402 nan 8.310 nan 0.000 0.522 192 Y N 0.464 120.549 120.300 -0.358 0.000 2.658 192 Y HA 0.647 5.198 4.550 0.001 0.000 0.362 192 Y C -3.218 172.325 175.900 -0.595 0.000 1.017 192 Y CA -4.085 53.444 58.100 -0.951 0.000 1.134 192 Y CB 0.016 37.390 38.460 -1.810 0.000 1.144 192 Y HN -0.002 nan 8.280 nan 0.000 0.655 193 P HA 0.169 nan 4.420 nan 0.000 0.287 193 P C -0.034 177.257 177.300 -0.015 0.000 1.307 193 P CA -0.054 62.922 63.100 -0.207 0.000 0.777 193 P CB 2.015 33.589 31.700 -0.211 0.000 0.883 194 Q N 1.838 121.705 119.800 0.112 0.000 2.170 194 Q HA -0.114 4.226 4.340 0.001 0.000 0.203 194 Q C 1.978 178.006 176.000 0.047 0.000 0.976 194 Q CA 2.015 57.919 55.803 0.167 0.000 0.858 194 Q CB -0.220 28.618 28.738 0.166 0.000 0.907 194 Q HN 0.597 nan 8.270 nan 0.000 0.433 195 S N 0.070 115.773 115.700 0.005 0.000 2.500 195 S HA -0.143 4.328 4.470 0.001 0.000 0.239 195 S C 1.342 175.925 174.600 -0.028 0.000 0.989 195 S CA 0.829 59.021 58.200 -0.013 0.000 0.951 195 S CB 0.018 63.206 63.200 -0.020 0.000 0.759 195 S HN 0.365 nan 8.310 nan 0.000 0.523 196 Q N 0.007 119.768 119.800 -0.066 0.000 2.159 196 Q HA 0.384 4.724 4.340 0.001 0.000 0.217 196 Q C 0.958 176.922 176.000 -0.059 0.000 0.818 196 Q CA 0.177 55.935 55.803 -0.075 0.000 1.008 196 Q CB 0.962 29.610 28.738 -0.149 0.000 1.148 196 Q HN 0.700 nan 8.270 nan 0.000 0.491 197 G N 1.039 109.823 108.800 -0.027 0.000 2.176 197 G HA2 -0.255 3.705 3.960 0.001 0.000 0.232 197 G HA3 -0.255 3.705 3.960 0.001 0.000 0.232 197 G C -0.361 174.548 174.900 0.016 0.000 0.986 197 G CA -0.218 44.883 45.100 0.003 0.000 0.643 197 G HN 0.439 nan 8.290 nan 0.000 0.522 198 W N 2.203 123.401 121.300 -0.171 0.000 2.210 198 W HA 0.583 5.243 4.660 0.000 0.000 0.330 198 W C 0.200 176.710 176.519 -0.015 0.000 1.334 198 W CA 0.227 57.519 57.345 -0.089 0.000 1.227 198 W CB 0.482 29.862 29.460 -0.133 0.000 1.178 198 W HN 0.239 nan 8.180 nan 0.000 0.560 199 E N 5.892 125.365 120.200 -1.210 0.000 2.292 199 E HA 0.160 4.510 4.350 0.001 0.000 0.272 199 E C -1.422 174.219 176.600 -1.598 0.000 0.881 199 E CA -1.284 54.401 56.400 -1.192 0.000 0.754 199 E CB 1.834 31.221 29.700 -0.522 0.000 1.201 199 E HN 0.356 nan 8.360 nan 0.000 0.425 200 F N 4.975 123.986 119.950 -1.564 0.000 2.607 200 F HA 0.115 4.643 4.527 0.001 0.000 0.374 200 F C -1.553 173.882 175.800 -0.608 0.000 1.104 200 F CA -1.034 56.334 58.000 -1.053 0.000 1.296 200 F CB 0.753 39.302 39.000 -0.751 0.000 1.085 200 F HN 0.241 nan 8.300 nan 0.000 0.584 201 P HA 0.238 nan 4.420 nan 0.000 0.223 201 P C -0.175 177.008 177.300 -0.195 0.000 1.878 201 P CA -0.227 62.049 63.100 -1.374 0.000 1.038 201 P CB 0.198 30.850 31.700 -1.745 0.000 1.774 202 G N 1.415 110.177 108.800 -0.065 0.000 2.484 202 G HA2 0.108 4.069 3.960 0.001 0.000 0.235 202 G HA3 0.108 4.069 3.960 0.001 0.000 0.235 202 G C 1.200 176.551 174.900 0.753 0.000 1.282 202 G CA -0.601 44.704 45.100 0.342 0.000 0.857 202 G HN 0.403 nan 8.290 nan 0.000 0.571 203 I N 0.393 121.225 120.570 0.437 0.000 2.756 203 I HA 0.248 4.419 4.170 0.001 0.000 0.262 203 I C 1.234 177.477 176.117 0.210 0.000 1.225 203 I CA 0.581 62.005 61.300 0.206 0.000 1.472 203 I CB -0.879 36.958 38.000 -0.273 0.000 1.094 203 I HN 0.942 nan 8.210 nan 0.000 0.454 204 G N 1.315 110.351 108.800 0.393 0.000 2.760 204 G HA2 -0.189 3.772 3.960 0.001 0.000 0.246 204 G HA3 -0.189 3.772 3.960 0.001 0.000 0.246 204 G C -0.765 174.169 174.900 0.057 0.000 1.359 204 G CA -0.262 45.050 45.100 0.353 0.000 0.861 204 G HN 0.589 nan 8.290 nan 0.000 0.541 205 E N -1.192 119.001 120.200 -0.012 0.000 2.343 205 E HA 0.567 4.918 4.350 0.001 0.000 0.270 205 E C -0.753 175.743 176.600 -0.174 0.000 0.895 205 E CA -0.883 55.345 56.400 -0.287 0.000 0.767 205 E CB 1.461 30.811 29.700 -0.583 0.000 1.248 205 E HN 0.312 nan 8.360 nan 0.000 0.440 206 F N 1.480 121.394 119.950 -0.060 0.000 2.518 206 F HA 0.054 4.582 4.527 0.001 0.000 0.359 206 F C 1.181 177.036 175.800 0.090 0.000 1.118 206 F CA 0.071 58.010 58.000 -0.101 0.000 1.287 206 F CB 0.540 39.356 39.000 -0.307 0.000 1.132 206 F HN 0.178 nan 8.300 nan 0.000 0.587 207 Q N 2.832 122.793 119.800 0.269 0.000 2.462 207 Q HA 0.203 4.544 4.340 0.001 0.000 0.395 207 Q C -0.079 176.093 176.000 0.288 0.000 0.911 207 Q CA 0.023 55.990 55.803 0.273 0.000 1.112 207 Q CB 0.735 29.541 28.738 0.114 0.000 1.350 207 Q HN 0.788 nan 8.270 nan 0.000 0.407 208 C N -2.330 117.087 119.300 0.195 0.000 2.741 208 C HA 0.463 4.923 4.460 0.001 0.000 0.267 208 C C 0.606 175.541 174.990 -0.091 0.000 1.549 208 C CA -0.664 58.436 59.018 0.137 0.000 1.772 208 C CB -1.560 26.308 27.740 0.215 0.000 2.962 208 C HN 0.365 nan 8.230 nan 0.000 0.514 209 Y N 1.756 122.194 120.300 0.229 0.000 2.458 209 Y HA 0.191 4.742 4.550 0.001 0.000 0.256 209 Y C 0.992 177.003 175.900 0.185 0.000 1.159 209 Y CA -0.586 57.611 58.100 0.163 0.000 1.261 209 Y CB -0.313 38.206 38.460 0.098 0.000 1.119 209 Y HN 0.532 nan 8.280 nan 0.000 0.524 210 D N 0.094 120.699 120.400 0.342 0.000 2.368 210 D HA 0.000 4.641 4.640 0.001 0.000 0.240 210 D C 1.248 177.669 176.300 0.201 0.000 1.169 210 D CA -0.416 53.756 54.000 0.287 0.000 0.906 210 D CB 0.850 41.849 40.800 0.332 0.000 1.187 210 D HN 0.281 nan 8.370 nan 0.000 0.435 211 K N 0.337 120.777 120.400 0.067 0.000 2.211 211 K HA -0.273 4.047 4.320 0.001 0.000 0.204 211 K C 1.151 177.688 176.600 -0.104 0.000 1.047 211 K CA 1.122 57.364 56.287 -0.075 0.000 0.935 211 K CB -0.466 31.890 32.500 -0.241 0.000 0.728 211 K HN 0.539 nan 8.250 nan 0.000 0.452 212 Y N 1.482 121.861 120.300 0.133 0.000 2.184 212 Y HA -0.015 4.535 4.550 0.001 0.000 0.290 212 Y C 2.228 178.257 175.900 0.214 0.000 1.129 212 Y CA 0.916 59.099 58.100 0.138 0.000 1.144 212 Y CB -0.253 38.269 38.460 0.103 0.000 0.995 212 Y HN -0.095 nan 8.280 nan 0.000 0.513 213 L N 0.005 121.478 121.223 0.416 0.000 2.093 213 L HA -0.193 4.147 4.340 0.001 0.000 0.208 213 L C 2.492 179.642 176.870 0.468 0.000 1.085 213 L CA 1.408 56.551 54.840 0.506 0.000 0.755 213 L CB -0.467 41.897 42.059 0.508 0.000 0.904 213 L HN 0.170 nan 8.230 nan 0.000 0.435 214 K N 0.598 121.166 120.400 0.280 0.000 2.057 214 K HA -0.195 4.125 4.320 0.001 0.000 0.207 214 K C 2.130 178.843 176.600 0.188 0.000 1.049 214 K CA 1.436 57.831 56.287 0.181 0.000 0.931 214 K CB -0.056 32.519 32.500 0.126 0.000 0.714 214 K HN 0.256 nan 8.250 nan 0.000 0.440 215 A N 1.084 124.003 122.820 0.164 0.000 1.898 215 A HA -0.203 4.118 4.320 0.001 0.000 0.216 215 A C 1.813 179.494 177.584 0.163 0.000 1.181 215 A CA 2.047 54.159 52.037 0.125 0.000 0.620 215 A CB -0.733 18.320 19.000 0.089 0.000 0.819 215 A HN 0.562 nan 8.150 nan 0.000 0.442 216 D N -1.430 119.133 120.400 0.272 0.000 2.117 216 D HA -0.180 4.460 4.640 0.001 0.000 0.197 216 D C 1.630 178.088 176.300 0.263 0.000 0.987 216 D CA 1.541 55.745 54.000 0.340 0.000 0.829 216 D CB -0.238 40.879 40.800 0.528 0.000 0.961 216 D HN 0.367 nan 8.370 nan 0.000 0.460 217 F N 1.193 121.121 119.950 -0.037 0.000 2.102 217 F HA -0.110 4.418 4.527 0.001 0.000 0.298 217 F C 1.968 177.634 175.800 -0.223 0.000 1.105 217 F CA 1.226 58.878 58.000 -0.580 0.000 1.239 217 F CB -0.108 38.308 39.000 -0.972 0.000 0.991 217 F HN -0.176 nan 8.300 nan 0.000 0.474 218 K N 0.719 121.021 120.400 -0.163 0.000 2.097 218 K HA -0.098 4.223 4.320 0.001 0.000 0.206 218 K C 2.300 178.786 176.600 -0.190 0.000 1.049 218 K CA 1.248 57.416 56.287 -0.198 0.000 0.933 218 K CB -1.180 31.307 32.500 -0.022 0.000 0.717 218 K HN 0.399 nan 8.250 nan 0.000 0.442 219 A N 1.306 124.074 122.820 -0.086 0.000 1.930 219 A HA -0.016 4.305 4.320 0.001 0.000 0.217 219 A C 2.411 179.959 177.584 -0.061 0.000 1.175 219 A CA 1.788 53.798 52.037 -0.045 0.000 0.627 219 A CB -0.483 18.535 19.000 0.031 0.000 0.815 219 A HN 0.284 nan 8.150 nan 0.000 0.443 220 A N 0.112 122.895 122.820 -0.062 0.000 1.877 220 A HA -0.031 4.289 4.320 0.001 0.000 0.216 220 A C 2.316 179.861 177.584 -0.064 0.000 1.186 220 A CA 2.246 54.310 52.037 0.044 0.000 0.620 220 A CB -1.287 17.799 19.000 0.143 0.000 0.822 220 A HN 1.133 nan 8.150 nan 0.000 0.443 221 V N -2.440 117.268 119.914 -0.345 0.000 2.626 221 V HA -0.012 4.109 4.120 0.001 0.000 0.252 221 V C 2.471 178.308 176.094 -0.428 0.000 1.067 221 V CA 1.737 63.733 62.300 -0.507 0.000 1.081 221 V CB -1.439 30.081 31.823 -0.506 0.000 0.686 221 V HN 0.505 nan 8.190 nan 0.000 0.468 222 A N 0.851 123.494 122.820 -0.295 0.000 1.898 222 A HA -0.094 4.227 4.320 0.001 0.000 0.216 222 A C 2.422 179.876 177.584 -0.216 0.000 1.181 222 A CA 1.670 53.560 52.037 -0.244 0.000 0.620 222 A CB -0.556 18.346 19.000 -0.164 0.000 0.819 222 A HN 0.541 nan 8.150 nan 0.000 0.442 223 R N -0.547 119.864 120.500 -0.148 0.000 2.189 223 R HA 0.001 4.342 4.340 0.001 0.000 0.223 223 R C 1.916 178.143 176.300 -0.121 0.000 1.092 223 R CA 0.913 56.957 56.100 -0.093 0.000 0.989 223 R CB -0.288 30.006 30.300 -0.010 0.000 0.876 223 R HN 0.488 nan 8.270 nan 0.000 0.457 224 A N -0.007 122.685 122.820 -0.213 0.000 2.251 224 A HA 0.249 4.570 4.320 0.001 0.000 0.209 224 A C 1.328 178.690 177.584 -0.370 0.000 1.187 224 A CA 0.691 52.574 52.037 -0.258 0.000 0.823 224 A CB 0.166 18.872 19.000 -0.490 0.000 0.846 224 A HN 0.404 nan 8.150 nan 0.000 0.486 225 G N -1.224 107.318 108.800 -0.430 0.000 2.141 225 G HA2 -0.185 3.775 3.960 0.001 0.000 0.231 225 G HA3 -0.185 3.775 3.960 0.001 0.000 0.231 225 G C -0.034 174.300 174.900 -0.943 0.000 0.984 225 G CA 0.260 45.017 45.100 -0.571 0.000 0.660 225 G HN 0.652 nan 8.290 nan 0.000 0.525 226 H N -0.209 118.400 119.070 -0.767 0.000 2.439 226 H HA 0.210 4.767 4.556 0.001 0.000 0.228 226 H C -1.787 173.102 175.328 -0.732 0.000 1.423 226 H CA -0.578 54.851 56.048 -1.032 0.000 1.386 226 H CB 1.572 29.940 29.762 -2.323 0.000 1.641 226 H HN 0.255 nan 8.280 nan 0.000 0.508 227 P HA -0.162 nan 4.420 nan 0.000 0.225 227 P C 1.284 178.498 177.300 -0.143 0.000 1.148 227 P CA 1.039 63.997 63.100 -0.238 0.000 0.779 227 P CB 0.449 32.036 31.700 -0.189 0.000 0.780 228 E N -1.393 118.727 120.200 -0.132 0.000 2.371 228 E HA -0.111 4.240 4.350 0.001 0.000 0.194 228 E C 0.297 176.984 176.600 0.145 0.000 1.012 228 E CA 0.084 56.481 56.400 -0.006 0.000 0.860 228 E CB -0.789 28.912 29.700 0.003 0.000 0.811 228 E HN 0.167 nan 8.360 nan 0.000 0.502 229 W N 2.599 123.874 121.300 -0.041 0.000 2.223 229 W HA 0.163 4.824 4.660 0.001 0.000 0.334 229 W C 0.771 177.336 176.519 0.077 0.000 1.334 229 W CA -0.375 56.962 57.345 -0.012 0.000 1.246 229 W CB 0.238 29.662 29.460 -0.059 0.000 1.184 229 W HN -0.052 nan 8.180 nan 0.000 0.563 230 E N 1.852 122.236 120.200 0.308 0.000 2.281 230 E HA 0.351 4.702 4.350 0.001 0.000 0.262 230 E C -0.027 176.602 176.600 0.047 0.000 0.933 230 E CA -1.206 55.331 56.400 0.228 0.000 0.809 230 E CB 1.739 31.492 29.700 0.090 0.000 1.242 230 E HN -0.030 nan 8.360 nan 0.000 0.418 231 L N 1.587 122.693 121.223 -0.195 0.000 2.482 231 L HA 0.144 4.485 4.340 0.001 0.000 0.273 231 L C -1.902 174.637 176.870 -0.551 0.000 1.228 231 L CA -1.160 53.246 54.840 -0.722 0.000 0.827 231 L CB -1.149 40.490 42.059 -0.701 0.000 1.099 231 L HN 0.182 nan 8.230 nan 0.000 0.494 232 P HA 0.003 nan 4.420 nan 0.000 0.262 232 P C -0.276 176.868 177.300 -0.261 0.000 1.182 232 P CA 0.302 63.040 63.100 -0.604 0.000 0.761 232 P CB 0.385 31.457 31.700 -1.046 0.000 0.795 233 D N 0.823 121.124 120.400 -0.165 0.000 2.520 233 D HA -0.014 4.626 4.640 0.001 0.000 0.223 233 D C 0.016 176.267 176.300 -0.081 0.000 1.186 233 D CA 0.083 54.021 54.000 -0.103 0.000 0.821 233 D CB -0.148 40.609 40.800 -0.071 0.000 1.072 233 D HN 0.289 nan 8.370 nan 0.000 0.518 234 D N 0.091 120.451 120.400 -0.066 0.000 2.571 234 D HA 0.278 4.918 4.640 0.001 0.000 0.239 234 D C 1.018 177.313 176.300 -0.009 0.000 1.267 234 D CA -0.376 53.611 54.000 -0.022 0.000 0.823 234 D CB 0.178 40.984 40.800 0.010 0.000 1.056 234 D HN 0.124 nan 8.370 nan 0.000 0.494 235 A N 0.273 123.036 122.820 -0.095 0.000 2.251 235 A HA 0.588 4.908 4.320 0.001 0.000 0.209 235 A C 1.467 179.036 177.584 -0.026 0.000 1.187 235 A CA 0.561 52.522 52.037 -0.127 0.000 0.823 235 A CB -0.495 18.325 19.000 -0.300 0.000 0.846 235 A HN 0.641 nan 8.150 nan 0.000 0.486 236 G N -0.393 108.379 108.800 -0.046 0.000 2.584 236 G HA2 -0.149 3.811 3.960 0.001 0.000 0.229 236 G HA3 -0.149 3.811 3.960 0.001 0.000 0.229 236 G C -0.419 174.424 174.900 -0.095 0.000 1.320 236 G CA -0.012 45.062 45.100 -0.043 0.000 0.891 236 G HN 0.444 nan 8.290 nan 0.000 0.573 237 K N -1.076 119.281 120.400 -0.072 0.000 2.352 237 K HA 0.550 4.870 4.320 0.001 0.000 0.240 237 K C 1.087 177.675 176.600 -0.020 0.000 1.017 237 K CA -0.864 55.357 56.287 -0.110 0.000 0.851 237 K CB 1.041 33.520 32.500 -0.035 0.000 1.261 237 K HN 0.424 nan 8.250 nan 0.000 0.451 238 Y N 1.140 121.501 120.300 0.100 0.000 2.062 238 Y HA -0.278 4.273 4.550 0.001 0.000 0.273 238 Y C 1.504 177.560 175.900 0.259 0.000 1.206 238 Y CA 2.073 60.309 58.100 0.228 0.000 1.125 238 Y CB -0.556 38.083 38.460 0.298 0.000 0.951 238 Y HN 0.641 nan 8.280 nan 0.000 0.501 239 N N -0.093 118.783 118.700 0.295 0.000 2.313 239 N HA -0.014 4.727 4.740 0.001 0.000 0.207 239 N C -0.458 175.101 175.510 0.082 0.000 1.141 239 N CA -0.298 52.829 53.050 0.129 0.000 0.830 239 N CB 0.107 38.613 38.487 0.032 0.000 1.008 239 N HN 0.229 nan 8.380 nan 0.000 0.481 240 D N 0.436 120.883 120.400 0.078 0.000 2.377 240 D HA 0.126 4.766 4.640 0.001 0.000 0.245 240 D C -0.284 176.001 176.300 -0.026 0.000 1.196 240 D CA -0.010 54.001 54.000 0.017 0.000 0.962 240 D CB 1.781 42.579 40.800 -0.003 0.000 1.127 240 D HN -0.234 nan 8.370 nan 0.000 0.471 241 V N 2.101 121.963 119.914 -0.088 0.000 2.630 241 V HA 0.194 4.314 4.120 0.001 0.000 0.305 241 V C -1.366 174.505 176.094 -0.372 0.000 1.046 241 V CA -1.984 60.166 62.300 -0.250 0.000 0.934 241 V CB 2.031 33.806 31.823 -0.081 0.000 1.003 241 V HN 0.415 nan 8.190 nan 0.000 0.451 242 P HA -0.223 nan 4.420 nan 0.000 0.216 242 P C 1.152 178.355 177.300 -0.162 0.000 1.153 242 P CA 1.684 64.515 63.100 -0.449 0.000 0.858 242 P CB 0.084 31.362 31.700 -0.704 0.000 0.789 243 E N 0.865 120.964 120.200 -0.167 0.000 2.401 243 E HA -0.111 4.240 4.350 0.001 0.000 0.199 243 E C 1.535 178.121 176.600 -0.023 0.000 1.023 243 E CA 1.450 57.817 56.400 -0.056 0.000 0.859 243 E CB -0.977 28.701 29.700 -0.037 0.000 0.780 243 E HN 0.378 nan 8.360 nan 0.000 0.523 244 S N 0.308 115.987 115.700 -0.035 0.000 2.605 244 S HA 0.029 4.500 4.470 0.001 0.000 0.217 244 S C 0.833 175.438 174.600 0.008 0.000 0.958 244 S CA 0.056 58.250 58.200 -0.011 0.000 0.919 244 S CB -0.339 62.852 63.200 -0.017 0.000 0.780 244 S HN 0.351 nan 8.310 nan 0.000 0.507 245 T N -2.875 111.699 114.554 0.034 0.000 2.918 245 T HA 0.700 5.050 4.350 0.001 0.000 0.286 245 T C 1.199 175.937 174.700 0.064 0.000 1.026 245 T CA -0.208 61.931 62.100 0.064 0.000 1.031 245 T CB 1.400 70.356 68.868 0.146 0.000 1.046 245 T HN 0.058 nan 8.240 nan 0.000 0.479 246 G N 0.020 108.848 108.800 0.047 0.000 2.464 246 G HA2 0.005 3.966 3.960 0.001 0.000 0.217 246 G HA3 0.005 3.966 3.960 0.001 0.000 0.217 246 G C 0.944 175.858 174.900 0.024 0.000 1.138 246 G CA -0.086 45.030 45.100 0.028 0.000 0.793 246 G HN 0.693 nan 8.290 nan 0.000 0.539 247 F N 0.396 120.256 119.950 -0.149 0.000 2.163 247 F HA 0.187 4.715 4.527 0.001 0.000 0.297 247 F C 1.711 177.349 175.800 -0.271 0.000 1.094 247 F CA 1.021 58.844 58.000 -0.296 0.000 1.290 247 F CB 0.194 38.857 39.000 -0.562 0.000 1.017 247 F HN 0.104 nan 8.300 nan 0.000 0.483 248 F N 0.681 120.733 119.950 0.171 0.000 2.727 248 F HA 0.164 4.692 4.527 0.001 0.000 0.302 248 F C 1.000 176.758 175.800 -0.069 0.000 1.097 248 F CA -0.392 57.565 58.000 -0.072 0.000 1.330 248 F CB -0.801 38.112 39.000 -0.145 0.000 1.084 248 F HN -0.201 nan 8.300 nan 0.000 0.578 249 K N 0.018 120.515 120.400 0.162 0.000 2.149 249 K HA 0.218 4.538 4.320 0.001 0.000 0.245 249 K C 0.669 177.377 176.600 0.180 0.000 1.024 249 K CA -0.430 55.927 56.287 0.116 0.000 0.899 249 K CB 0.486 33.026 32.500 0.066 0.000 1.038 249 K HN -0.067 nan 8.250 nan 0.000 0.496 250 S N 1.505 117.282 115.700 0.128 0.000 2.575 250 S HA -0.063 4.408 4.470 0.001 0.000 0.295 250 S C 0.005 174.650 174.600 0.075 0.000 1.267 250 S CA 0.208 58.483 58.200 0.126 0.000 1.074 250 S CB -0.750 62.493 63.200 0.073 0.000 0.829 250 S HN 0.836 nan 8.310 nan 0.000 0.497 251 N N 1.760 120.482 118.700 0.036 0.000 2.741 251 N HA -0.132 4.609 4.740 0.001 0.000 0.251 251 N C 0.315 175.779 175.510 -0.077 0.000 1.112 251 N CA 1.124 54.140 53.050 -0.056 0.000 0.750 251 N CB -1.710 36.755 38.487 -0.037 0.000 1.119 251 N HN 0.772 nan 8.380 nan 0.000 0.561 252 G N -0.560 108.226 108.800 -0.023 0.000 2.553 252 G HA2 0.267 4.228 3.960 0.001 0.000 0.278 252 G HA3 0.267 4.228 3.960 0.001 0.000 0.278 252 G C 1.123 175.887 174.900 -0.226 0.000 1.349 252 G CA 0.577 45.645 45.100 -0.053 0.000 1.037 252 G HN 0.132 nan 8.290 nan 0.000 0.508 253 T N -0.195 114.165 114.554 -0.323 0.000 2.803 253 T HA -0.217 4.134 4.350 0.001 0.000 0.269 253 T C 2.018 176.264 174.700 -0.756 0.000 1.052 253 T CA 2.128 63.925 62.100 -0.505 0.000 1.136 253 T CB -0.452 68.130 68.868 -0.476 0.000 0.864 253 T HN 0.619 nan 8.240 nan 0.000 0.467 254 Y N 0.722 120.320 120.300 -1.171 0.000 2.483 254 Y HA 0.100 4.650 4.550 0.001 0.000 0.291 254 Y C 1.773 177.479 175.900 -0.323 0.000 1.143 254 Y CA -0.014 57.550 58.100 -0.893 0.000 1.289 254 Y CB -0.774 37.334 38.460 -0.586 0.000 0.983 254 Y HN 0.053 nan 8.280 nan 0.000 0.556 255 V N 0.953 120.365 119.914 -0.837 0.000 3.647 255 V HA 0.023 4.144 4.120 0.001 0.000 0.279 255 V C 1.074 176.967 176.094 -0.334 0.000 1.314 255 V CA 0.820 62.730 62.300 -0.651 0.000 1.125 255 V CB -0.762 30.608 31.823 -0.755 0.000 0.907 255 V HN 0.655 nan 8.190 nan 0.000 0.434 256 T N -3.059 111.310 114.554 -0.309 0.000 2.847 256 T HA 0.215 4.566 4.350 0.001 0.000 0.279 256 T C 1.125 175.717 174.700 -0.180 0.000 0.984 256 T CA -0.488 61.480 62.100 -0.219 0.000 0.988 256 T CB 1.159 69.883 68.868 -0.239 0.000 1.040 256 T HN 0.097 nan 8.240 nan 0.000 0.528 257 E N 0.454 120.576 120.200 -0.131 0.000 2.085 257 E HA -0.150 4.201 4.350 0.001 0.000 0.194 257 E C 1.955 178.381 176.600 -0.289 0.000 0.994 257 E CA 1.277 57.637 56.400 -0.067 0.000 0.801 257 E CB -0.325 29.414 29.700 0.065 0.000 0.743 257 E HN 0.814 nan 8.360 nan 0.000 0.453 258 K N 0.457 120.457 120.400 -0.667 0.000 2.002 258 K HA -0.117 4.203 4.320 0.001 0.000 0.209 258 K C 2.224 178.517 176.600 -0.512 0.000 1.048 258 K CA 1.616 57.133 56.287 -1.284 0.000 0.930 258 K CB -0.435 31.317 32.500 -1.248 0.000 0.714 258 K HN 0.144 nan 8.250 nan 0.000 0.438 259 G N 1.208 109.815 108.800 -0.322 0.000 2.418 259 G HA2 -0.244 3.717 3.960 0.001 0.000 0.217 259 G HA3 -0.244 3.717 3.960 0.001 0.000 0.217 259 G C 1.311 176.223 174.900 0.019 0.000 1.158 259 G CA 0.835 45.853 45.100 -0.137 0.000 0.771 259 G HN 0.305 nan 8.290 nan 0.000 0.545 260 K N -0.642 119.760 120.400 0.004 0.000 2.097 260 K HA -0.019 4.302 4.320 0.001 0.000 0.206 260 K C 2.164 178.875 176.600 0.184 0.000 1.049 260 K CA 0.979 57.346 56.287 0.133 0.000 0.933 260 K CB -0.290 32.300 32.500 0.151 0.000 0.717 260 K HN 0.334 nan 8.250 nan 0.000 0.442 261 F N 1.127 121.115 119.950 0.064 0.000 2.102 261 F HA -0.223 4.305 4.527 0.001 0.000 0.298 261 F C 2.062 178.016 175.800 0.256 0.000 1.105 261 F CA 1.211 59.319 58.000 0.181 0.000 1.239 261 F CB -0.321 38.816 39.000 0.228 0.000 0.991 261 F HN -0.040 nan 8.300 nan 0.000 0.474 262 F N 0.857 120.932 119.950 0.208 0.000 2.075 262 F HA -0.203 4.324 4.527 0.001 0.000 0.297 262 F C 1.898 177.716 175.800 0.031 0.000 1.113 262 F CA 1.896 59.976 58.000 0.134 0.000 1.218 262 F CB -0.862 38.057 39.000 -0.135 0.000 0.984 262 F HN -0.050 nan 8.300 nan 0.000 0.472 263 L N -0.367 120.615 121.223 -0.401 0.000 2.131 263 L HA -0.228 4.112 4.340 0.001 0.000 0.210 263 L C 2.325 178.907 176.870 -0.480 0.000 1.092 263 L CA 1.719 56.141 54.840 -0.697 0.000 0.759 263 L CB -1.195 40.253 42.059 -1.019 0.000 0.903 263 L HN 0.208 nan 8.230 nan 0.000 0.435 264 T N -1.387 113.066 114.554 -0.168 0.000 2.737 264 T HA -0.230 4.121 4.350 0.001 0.000 0.265 264 T C 1.351 176.033 174.700 -0.030 0.000 1.038 264 T CA 1.436 63.577 62.100 0.067 0.000 1.144 264 T CB -0.355 68.559 68.868 0.078 0.000 0.866 264 T HN 0.529 nan 8.240 nan 0.000 0.434 265 W N 0.902 122.019 121.300 -0.304 0.000 2.335 265 W HA -0.211 4.449 4.660 0.001 0.000 0.311 265 W C 2.081 178.521 176.519 -0.132 0.000 1.213 265 W CA 0.940 58.153 57.345 -0.221 0.000 1.274 265 W CB -0.679 28.681 29.460 -0.167 0.000 1.148 265 W HN 0.260 nan 8.180 nan 0.000 0.498 266 Y N 1.939 121.982 120.300 -0.428 0.000 2.128 266 Y HA -0.293 4.258 4.550 0.001 0.000 0.284 266 Y C 2.932 178.630 175.900 -0.337 0.000 1.154 266 Y CA 3.006 60.711 58.100 -0.658 0.000 1.149 266 Y CB -0.981 36.933 38.460 -0.910 0.000 0.976 266 Y HN 0.080 nan 8.280 nan 0.000 0.505 267 S N -0.820 114.783 115.700 -0.162 0.000 2.406 267 S HA -0.171 4.299 4.470 0.001 0.000 0.228 267 S C 1.731 176.258 174.600 -0.122 0.000 1.020 267 S CA 1.249 59.395 58.200 -0.090 0.000 0.965 267 S CB -0.894 62.360 63.200 0.090 0.000 0.798 267 S HN 0.624 nan 8.310 nan 0.000 0.488 268 N N 1.497 120.110 118.700 -0.144 0.000 2.223 268 N HA -0.049 4.692 4.740 0.001 0.000 0.185 268 N C 1.536 176.940 175.510 -0.177 0.000 1.016 268 N CA 0.925 53.899 53.050 -0.126 0.000 0.863 268 N CB -0.043 38.380 38.487 -0.107 0.000 0.983 268 N HN 0.263 nan 8.380 nan 0.000 0.429 269 K N 1.260 121.471 120.400 -0.315 0.000 2.063 269 K HA -0.101 4.220 4.320 0.001 0.000 0.208 269 K C 1.982 178.470 176.600 -0.187 0.000 1.048 269 K CA 0.810 56.925 56.287 -0.287 0.000 0.928 269 K CB -0.589 31.663 32.500 -0.413 0.000 0.713 269 K HN 0.308 nan 8.250 nan 0.000 0.442 270 L N 0.522 121.598 121.223 -0.246 0.000 2.056 270 L HA -0.125 4.215 4.340 0.001 0.000 0.207 270 L C 2.453 179.295 176.870 -0.046 0.000 1.078 270 L CA 0.761 55.475 54.840 -0.210 0.000 0.749 270 L CB -0.425 41.451 42.059 -0.305 0.000 0.901 270 L HN 0.094 nan 8.230 nan 0.000 0.433 271 L N -0.278 120.919 121.223 -0.044 0.000 2.046 271 L HA -0.234 4.107 4.340 0.001 0.000 0.208 271 L C 2.337 179.214 176.870 0.012 0.000 1.077 271 L CA 1.204 56.042 54.840 -0.003 0.000 0.747 271 L CB -0.619 41.437 42.059 -0.006 0.000 0.896 271 L HN 0.398 nan 8.230 nan 0.000 0.432 272 N N -1.037 117.666 118.700 0.005 0.000 2.270 272 N HA -0.193 4.548 4.740 0.001 0.000 0.181 272 N C 1.789 177.326 175.510 0.044 0.000 1.016 272 N CA 1.075 54.139 53.050 0.022 0.000 0.870 272 N CB -0.323 38.172 38.487 0.013 0.000 0.979 272 N HN 0.428 nan 8.380 nan 0.000 0.431 273 H N 0.470 119.512 119.070 -0.048 0.000 2.293 273 H HA -0.025 4.531 4.556 0.001 0.000 0.300 273 H C 2.055 177.367 175.328 -0.027 0.000 1.082 273 H CA 2.253 58.282 56.048 -0.032 0.000 1.308 273 H CB -0.598 29.133 29.762 -0.053 0.000 1.375 273 H HN 0.185 nan 8.280 nan 0.000 0.495 274 G N -0.542 108.230 108.800 -0.047 0.000 2.418 274 G HA2 -0.304 3.656 3.960 0.001 0.000 0.217 274 G HA3 -0.304 3.656 3.960 0.001 0.000 0.217 274 G C 1.562 176.384 174.900 -0.130 0.000 1.158 274 G CA 0.974 46.003 45.100 -0.119 0.000 0.771 274 G HN 0.530 nan 8.290 nan 0.000 0.545 275 D N 0.206 120.581 120.400 -0.041 0.000 2.097 275 D HA -0.093 4.547 4.640 0.001 0.000 0.195 275 D C 2.637 178.932 176.300 -0.007 0.000 0.989 275 D CA 1.174 55.196 54.000 0.037 0.000 0.827 275 D CB -0.161 40.698 40.800 0.099 0.000 0.966 275 D HN 0.425 nan 8.370 nan 0.000 0.456 276 Q N -0.420 119.359 119.800 -0.034 0.000 2.079 276 Q HA -0.065 4.275 4.340 0.001 0.000 0.200 276 Q C 2.486 178.436 176.000 -0.084 0.000 0.974 276 Q CA 1.017 56.799 55.803 -0.036 0.000 0.840 276 Q CB -0.001 28.720 28.738 -0.030 0.000 0.898 276 Q HN 0.415 nan 8.270 nan 0.000 0.430 277 I N 0.116 120.590 120.570 -0.160 0.000 2.315 277 I HA -0.232 3.939 4.170 0.001 0.000 0.248 277 I C 1.847 177.874 176.117 -0.150 0.000 1.117 277 I CA 0.455 61.661 61.300 -0.156 0.000 1.404 277 I CB -0.070 37.781 38.000 -0.248 0.000 1.071 277 I HN 0.199 nan 8.210 nan 0.000 0.419 278 L N 0.455 121.526 121.223 -0.254 0.000 2.083 278 L HA -0.232 4.109 4.340 0.001 0.000 0.209 278 L C 2.053 178.744 176.870 -0.299 0.000 1.083 278 L CA 1.807 56.403 54.840 -0.408 0.000 0.752 278 L CB -0.971 40.549 42.059 -0.897 0.000 0.899 278 L HN 0.221 nan 8.230 nan 0.000 0.433 279 D N -0.578 119.738 120.400 -0.140 0.000 2.123 279 D HA -0.175 4.466 4.640 0.001 0.000 0.196 279 D C 2.026 178.351 176.300 0.041 0.000 0.992 279 D CA 0.989 55.032 54.000 0.071 0.000 0.833 279 D CB 0.219 41.078 40.800 0.098 0.000 0.954 279 D HN 0.335 nan 8.370 nan 0.000 0.455 280 E N 0.577 120.780 120.200 0.005 0.000 2.106 280 E HA -0.071 4.279 4.350 0.001 0.000 0.192 280 E C 2.089 178.712 176.600 0.039 0.000 0.984 280 E CA 0.608 57.017 56.400 0.016 0.000 0.806 280 E CB -0.269 29.432 29.700 0.002 0.000 0.750 280 E HN 0.201 nan 8.360 nan 0.000 0.458 281 A N 2.053 124.908 122.820 0.058 0.000 1.902 281 A HA -0.212 4.108 4.320 0.001 0.000 0.217 281 A C 2.078 179.793 177.584 0.219 0.000 1.181 281 A CA 1.623 53.761 52.037 0.168 0.000 0.623 281 A CB -0.704 18.380 19.000 0.140 0.000 0.818 281 A HN 0.269 nan 8.150 nan 0.000 0.443 282 N N -0.100 118.685 118.700 0.142 0.000 2.120 282 N HA -0.174 4.567 4.740 0.001 0.000 0.188 282 N C 1.669 177.257 175.510 0.130 0.000 1.024 282 N CA 1.611 54.761 53.050 0.167 0.000 0.852 282 N CB -0.169 38.430 38.487 0.187 0.000 1.003 282 N HN 0.540 nan 8.380 nan 0.000 0.424 283 K N 0.456 120.904 120.400 0.079 0.000 2.057 283 K HA -0.023 4.298 4.320 0.001 0.000 0.206 283 K C 2.176 178.766 176.600 -0.017 0.000 1.050 283 K CA 1.166 57.475 56.287 0.036 0.000 0.935 283 K CB -0.159 32.353 32.500 0.020 0.000 0.715 283 K HN 0.187 nan 8.250 nan 0.000 0.439 284 A N 0.593 123.366 122.820 -0.079 0.000 1.972 284 A HA -0.114 4.207 4.320 0.001 0.000 0.219 284 A C 1.407 178.729 177.584 -0.437 0.000 1.169 284 A CA 1.327 53.184 52.037 -0.299 0.000 0.635 284 A CB -0.358 18.366 19.000 -0.460 0.000 0.810 284 A HN 0.243 nan 8.150 nan 0.000 0.446 285 F N -0.831 119.140 119.950 0.036 0.000 2.639 285 F HA 0.359 4.886 4.527 0.000 0.000 0.302 285 F C 0.543 176.358 175.800 0.024 0.000 1.097 285 F CA -0.712 57.308 58.000 0.032 0.000 1.294 285 F CB 0.044 39.068 39.000 0.040 0.000 1.027 285 F HN 0.038 nan 8.300 nan 0.000 0.550 286 L N 0.851 122.154 121.223 0.134 0.000 2.578 286 L HA 0.169 4.510 4.340 0.001 0.000 0.279 286 L C 1.381 178.294 176.870 0.072 0.000 1.227 286 L CA 1.338 56.233 54.840 0.093 0.000 0.900 286 L CB 0.324 42.416 42.059 0.056 0.000 1.144 286 L HN 0.613 nan 8.230 nan 0.000 0.496 287 G N 2.549 111.385 108.800 0.060 0.000 2.268 287 G HA2 -0.276 3.684 3.960 0.001 0.000 0.240 287 G HA3 -0.276 3.684 3.960 0.001 0.000 0.240 287 G C 0.387 175.318 174.900 0.051 0.000 1.010 287 G CA 0.051 45.175 45.100 0.041 0.000 0.618 287 G HN 0.674 nan 8.290 nan 0.000 0.516 288 C N 1.859 121.213 119.300 0.090 0.000 2.652 288 C HA 0.474 4.934 4.460 0.001 0.000 0.412 288 C C 1.168 176.195 174.990 0.062 0.000 1.294 288 C CA -0.221 58.854 59.018 0.095 0.000 2.127 288 C CB 0.748 28.598 27.740 0.183 0.000 2.691 288 C HN 0.460 nan 8.230 nan 0.000 0.615 289 K N 1.874 122.300 120.400 0.045 0.000 2.278 289 K HA 0.434 4.754 4.320 0.001 0.000 0.237 289 K C -0.414 176.201 176.600 0.025 0.000 1.229 289 K CA 0.135 56.439 56.287 0.029 0.000 1.155 289 K CB 0.125 32.640 32.500 0.026 0.000 1.590 289 K HN 0.457 nan 8.250 nan 0.000 0.290 290 V N 0.968 120.889 119.914 0.011 0.000 3.216 290 V HA 0.356 4.477 4.120 0.001 0.000 0.302 290 V C -1.531 174.543 176.094 -0.033 0.000 1.286 290 V CA -0.977 61.308 62.300 -0.024 0.000 1.048 290 V CB 2.611 34.376 31.823 -0.097 0.000 1.081 290 V HN 0.439 nan 8.190 nan 0.000 0.442 291 K N 2.436 122.810 120.400 -0.045 0.000 2.267 291 K HA 0.689 5.009 4.320 0.001 0.000 0.246 291 K C -1.751 174.799 176.600 -0.084 0.000 0.954 291 K CA -0.798 55.463 56.287 -0.043 0.000 0.824 291 K CB 1.981 34.466 32.500 -0.024 0.000 1.167 291 K HN 0.312 nan 8.250 nan 0.000 0.431 292 L N 1.323 122.511 121.223 -0.059 0.000 2.334 292 L HA 0.661 5.001 4.340 0.001 0.000 0.275 292 L C -0.345 176.488 176.870 -0.060 0.000 1.036 292 L CA -0.091 54.706 54.840 -0.072 0.000 0.807 292 L CB 1.487 43.531 42.059 -0.024 0.000 1.231 292 L HN 0.856 nan 8.230 nan 0.000 0.438 293 A N 3.015 125.793 122.820 -0.070 0.000 2.587 293 A HA 0.902 5.223 4.320 0.001 0.000 0.293 293 A C -1.128 176.424 177.584 -0.053 0.000 1.087 293 A CA -0.466 51.541 52.037 -0.051 0.000 0.692 293 A CB 1.591 20.568 19.000 -0.039 0.000 1.291 293 A HN 0.699 nan 8.150 nan 0.000 0.407 294 I N -2.168 118.381 120.570 -0.035 0.000 3.042 294 I HA 0.744 4.915 4.170 0.001 0.000 0.310 294 I C -0.930 175.180 176.117 -0.011 0.000 1.117 294 I CA -1.017 60.263 61.300 -0.034 0.000 1.003 294 I CB 2.395 40.377 38.000 -0.030 0.000 1.228 294 I HN 0.476 nan 8.210 nan 0.000 0.443 295 K N 2.790 123.182 120.400 -0.014 0.000 2.244 295 K HA 0.690 5.011 4.320 0.001 0.000 0.260 295 K C -1.416 175.212 176.600 0.047 0.000 0.951 295 K CA -0.836 55.455 56.287 0.006 0.000 0.826 295 K CB 2.669 35.150 32.500 -0.031 0.000 1.108 295 K HN 0.431 nan 8.250 nan 0.000 0.433 296 V N 1.765 121.738 119.914 0.097 0.000 2.459 296 V HA 0.199 4.319 4.120 0.001 0.000 0.295 296 V C 0.085 176.253 176.094 0.124 0.000 1.029 296 V CA -0.670 61.729 62.300 0.164 0.000 0.874 296 V CB 1.745 33.672 31.823 0.173 0.000 0.985 296 V HN 0.799 nan 8.190 nan 0.000 0.438 297 S N 3.153 118.976 115.700 0.203 0.000 2.580 297 S HA 0.501 4.971 4.470 0.001 0.000 0.274 297 S C 0.497 175.088 174.600 -0.015 0.000 1.329 297 S CA -0.026 58.242 58.200 0.114 0.000 1.036 297 S CB 0.869 64.248 63.200 0.298 0.000 0.919 297 S HN 1.072 nan 8.310 nan 0.000 0.515 298 G N 4.093 112.736 108.800 -0.261 0.000 2.607 298 G HA2 0.515 4.475 3.960 0.001 0.000 0.332 298 G HA3 0.515 4.475 3.960 0.001 0.000 0.332 298 G C -0.443 174.415 174.900 -0.070 0.000 1.046 298 G CA -0.520 44.391 45.100 -0.315 0.000 1.099 298 G HN 0.749 nan 8.290 nan 0.000 0.451 299 I N 3.254 123.762 120.570 -0.104 0.000 2.316 299 I HA 0.135 4.305 4.170 0.001 0.000 0.286 299 I C 1.158 177.020 176.117 -0.425 0.000 1.107 299 I CA -0.712 60.229 61.300 -0.599 0.000 1.219 299 I CB 0.577 38.236 38.000 -0.568 0.000 1.455 299 I HN 0.791 nan 8.210 nan 0.000 0.498 300 H N 2.422 121.422 119.070 -0.117 0.000 2.535 300 H HA 0.013 4.569 4.556 0.001 0.000 0.273 300 H C 0.110 175.550 175.328 0.187 0.000 0.983 300 H CA -0.639 55.443 56.048 0.057 0.000 1.238 300 H CB -0.405 29.412 29.762 0.092 0.000 1.412 300 H HN 0.573 nan 8.280 nan 0.000 0.562 301 W N -0.329 120.853 121.300 -0.196 0.000 2.266 301 W HA 0.305 4.965 4.660 0.001 0.000 0.317 301 W C -0.509 175.919 176.519 -0.151 0.000 1.310 301 W CA -1.331 55.861 57.345 -0.255 0.000 1.207 301 W CB 0.206 29.363 29.460 -0.505 0.000 1.199 301 W HN 0.326 nan 8.180 nan 0.000 0.544 302 W N 0.876 122.239 121.300 0.106 0.000 2.046 302 W HA -0.370 4.291 4.660 0.001 0.000 0.263 302 W C 1.332 177.753 176.519 -0.164 0.000 1.048 302 W CA 0.562 57.873 57.345 -0.058 0.000 0.474 302 W CB -2.303 27.076 29.460 -0.135 0.000 2.069 302 W HN 0.700 nan 8.180 nan 0.000 1.264 303 Y N 1.341 121.614 120.300 -0.046 0.000 2.421 303 Y HA -0.045 4.505 4.550 0.001 0.000 0.292 303 Y C 1.953 177.688 175.900 -0.276 0.000 1.136 303 Y CA 2.117 60.125 58.100 -0.152 0.000 1.255 303 Y CB -0.016 38.478 38.460 0.056 0.000 0.991 303 Y HN -0.058 nan 8.280 nan 0.000 0.552 304 K N 0.583 120.954 120.400 -0.050 0.000 2.437 304 K HA 0.164 4.484 4.320 0.001 0.000 0.198 304 K C -0.281 176.273 176.600 -0.076 0.000 1.024 304 K CA 0.299 56.554 56.287 -0.052 0.000 1.148 304 K CB 0.218 32.757 32.500 0.065 0.000 0.860 304 K HN 0.141 nan 8.250 nan 0.000 0.515 305 V N -2.851 116.983 119.914 -0.133 0.000 2.919 305 V HA 0.273 4.393 4.120 0.001 0.000 0.316 305 V C 1.085 177.106 176.094 -0.122 0.000 1.077 305 V CA -0.931 61.342 62.300 -0.044 0.000 0.977 305 V CB 2.002 33.871 31.823 0.077 0.000 1.039 305 V HN 0.008 nan 8.190 nan 0.000 0.441 306 E N 1.770 121.980 120.200 0.016 0.000 2.160 306 E HA -0.214 4.137 4.350 0.001 0.000 0.195 306 E C 1.715 178.434 176.600 0.199 0.000 0.991 306 E CA 1.921 58.401 56.400 0.133 0.000 0.810 306 E CB -0.019 29.788 29.700 0.178 0.000 0.742 306 E HN 0.947 nan 8.360 nan 0.000 0.466 307 N N 0.024 118.726 118.700 0.003 0.000 2.457 307 N HA -0.164 4.577 4.740 0.001 0.000 0.180 307 N C -0.055 175.450 175.510 -0.008 0.000 1.050 307 N CA 0.542 53.472 53.050 -0.200 0.000 0.906 307 N CB -0.275 37.960 38.487 -0.419 0.000 0.968 307 N HN 0.246 nan 8.380 nan 0.000 0.445 308 H N 0.112 119.131 119.070 -0.085 0.000 2.594 308 H HA -0.172 4.384 4.556 0.001 0.000 0.316 308 H C 1.479 176.730 175.328 -0.129 0.000 1.107 308 H CA 0.365 56.395 56.048 -0.029 0.000 1.133 308 H CB -1.180 28.597 29.762 0.026 0.000 1.459 308 H HN 0.543 nan 8.280 nan 0.000 0.411 309 A N 0.783 123.399 122.820 -0.339 0.000 1.884 309 A HA -0.187 4.134 4.320 0.001 0.000 0.219 309 A C 2.559 179.864 177.584 -0.465 0.000 1.197 309 A CA 2.559 54.075 52.037 -0.870 0.000 0.637 309 A CB -0.816 17.301 19.000 -1.471 0.000 0.827 309 A HN 0.662 nan 8.150 nan 0.000 0.450 310 A N -0.677 122.011 122.820 -0.221 0.000 1.908 310 A HA -0.203 4.117 4.320 0.001 0.000 0.218 310 A C 1.938 179.418 177.584 -0.174 0.000 1.181 310 A CA 1.859 53.769 52.037 -0.212 0.000 0.627 310 A CB -0.600 18.066 19.000 -0.557 0.000 0.818 310 A HN 0.672 nan 8.150 nan 0.000 0.445 311 E N -0.108 120.062 120.200 -0.051 0.000 2.051 311 E HA -0.154 4.197 4.350 0.001 0.000 0.192 311 E C 2.010 178.709 176.600 0.164 0.000 0.991 311 E CA 1.255 57.740 56.400 0.142 0.000 0.799 311 E CB -0.309 29.576 29.700 0.308 0.000 0.748 311 E HN 0.622 nan 8.360 nan 0.000 0.449 312 L N 0.807 122.144 121.223 0.189 0.000 2.012 312 L HA -0.201 4.139 4.340 0.001 0.000 0.210 312 L C 2.874 179.963 176.870 0.365 0.000 1.073 312 L CA 1.817 56.852 54.840 0.324 0.000 0.748 312 L CB -1.414 40.934 42.059 0.480 0.000 0.891 312 L HN 0.363 nan 8.230 nan 0.000 0.431 313 T N -2.471 112.128 114.554 0.074 0.000 2.929 313 T HA -0.066 4.285 4.350 0.001 0.000 0.271 313 T C 1.771 176.589 174.700 0.197 0.000 1.085 313 T CA 0.911 62.942 62.100 -0.116 0.000 1.125 313 T CB -0.233 68.387 68.868 -0.414 0.000 0.874 313 T HN 0.338 nan 8.240 nan 0.000 0.494 314 A N 0.759 123.647 122.820 0.114 0.000 2.169 314 A HA 0.585 4.906 4.320 0.001 0.000 0.212 314 A C 2.091 179.619 177.584 -0.092 0.000 1.153 314 A CA 0.758 52.801 52.037 0.010 0.000 0.756 314 A CB -0.788 18.149 19.000 -0.104 0.000 0.813 314 A HN 1.324 nan 8.150 nan 0.000 0.471 315 G N -2.760 106.078 108.800 0.062 0.000 2.192 315 G HA2 -0.185 3.776 3.960 0.001 0.000 0.193 315 G HA3 -0.185 3.776 3.960 0.001 0.000 0.193 315 G C -0.288 174.567 174.900 -0.075 0.000 0.999 315 G CA -0.010 45.068 45.100 -0.037 0.000 0.659 315 G HN 0.338 nan 8.290 nan 0.000 0.503 316 Y N 0.974 121.343 120.300 0.114 0.000 2.595 316 Y HA 0.432 4.982 4.550 0.001 0.000 0.336 316 Y C 0.584 176.507 175.900 0.038 0.000 0.996 316 Y CA -2.031 56.047 58.100 -0.037 0.000 1.260 316 Y CB 0.118 38.504 38.460 -0.124 0.000 1.108 316 Y HN 0.303 nan 8.280 nan 0.000 0.509 317 Y N 4.356 124.682 120.300 0.043 0.000 2.603 317 Y HA 0.078 4.628 4.550 0.001 0.000 0.341 317 Y C -0.138 175.719 175.900 -0.072 0.000 1.272 317 Y CA -0.415 57.709 58.100 0.040 0.000 1.891 317 Y CB -0.206 38.279 38.460 0.043 0.000 1.910 317 Y HN 0.588 nan 8.280 nan 0.000 0.432 318 N N 4.592 123.318 118.700 0.043 0.000 2.446 318 N HA 0.437 5.178 4.740 0.001 0.000 0.265 318 N C -1.612 173.670 175.510 -0.380 0.000 0.975 318 N CA -0.324 52.596 53.050 -0.217 0.000 0.928 318 N CB 0.930 39.247 38.487 -0.284 0.000 1.160 318 N HN 0.506 nan 8.380 nan 0.000 0.495 319 L N 1.821 122.811 121.223 -0.388 0.000 2.230 319 L HA 0.512 4.853 4.340 0.001 0.000 0.255 319 L C 1.081 177.758 176.870 -0.321 0.000 1.039 319 L CA -1.107 53.495 54.840 -0.397 0.000 0.846 319 L CB 1.062 43.099 42.059 -0.038 0.000 1.419 319 L HN 0.453 nan 8.230 nan 0.000 0.435 320 N N 0.798 119.443 118.700 -0.093 0.000 2.309 320 N HA -0.129 4.612 4.740 0.001 0.000 0.182 320 N C 0.441 175.931 175.510 -0.034 0.000 1.018 320 N CA 1.144 54.184 53.050 -0.016 0.000 0.876 320 N CB -0.173 38.353 38.487 0.066 0.000 0.972 320 N HN 0.620 nan 8.380 nan 0.000 0.434 321 D N -1.057 119.319 120.400 -0.041 0.000 2.462 321 D HA 0.089 4.730 4.640 0.001 0.000 0.221 321 D C 0.056 176.302 176.300 -0.090 0.000 1.173 321 D CA -0.159 53.813 54.000 -0.046 0.000 0.831 321 D CB 0.147 40.933 40.800 -0.022 0.000 1.001 321 D HN -0.001 nan 8.370 nan 0.000 0.499 322 R N 0.851 121.268 120.500 -0.139 0.000 2.605 322 R HA 0.124 4.465 4.340 0.001 0.000 0.291 322 R C -1.714 174.461 176.300 -0.208 0.000 1.226 322 R CA -0.495 55.482 56.100 -0.205 0.000 0.981 322 R CB 0.972 31.063 30.300 -0.349 0.000 1.215 322 R HN -0.135 nan 8.270 nan 0.000 0.428 323 D N 3.059 123.371 120.400 -0.147 0.000 2.344 323 D HA 0.099 4.740 4.640 0.001 0.000 0.253 323 D C 0.685 176.887 176.300 -0.164 0.000 1.255 323 D CA 0.389 54.323 54.000 -0.111 0.000 0.894 323 D CB 1.330 42.101 40.800 -0.049 0.000 1.067 323 D HN 0.829 nan 8.370 nan 0.000 0.492 324 G N 2.719 111.358 108.800 -0.268 0.000 3.042 324 G HA2 -0.122 3.839 3.960 0.001 0.000 0.212 324 G HA3 -0.122 3.839 3.960 0.001 0.000 0.212 324 G C 0.605 175.234 174.900 -0.452 0.000 1.166 324 G CA 0.181 45.076 45.100 -0.341 0.000 0.767 324 G HN 0.458 nan 8.290 nan 0.000 0.546 325 Y N -0.780 119.473 120.300 -0.079 0.000 2.559 325 Y HA 0.288 4.838 4.550 0.001 0.000 0.279 325 Y C 2.586 178.416 175.900 -0.116 0.000 1.117 325 Y CA -0.149 57.866 58.100 -0.141 0.000 1.263 325 Y CB 0.008 38.327 38.460 -0.234 0.000 1.230 325 Y HN 0.070 nan 8.280 nan 0.000 0.528 326 R N 0.617 121.141 120.500 0.041 0.000 2.120 326 R HA -0.104 4.237 4.340 0.001 0.000 0.234 326 R C -1.041 175.257 176.300 -0.004 0.000 1.123 326 R CA 1.443 57.548 56.100 0.007 0.000 0.975 326 R CB -1.054 29.246 30.300 0.000 0.000 0.866 326 R HN 0.201 nan 8.270 nan 0.000 0.446 327 P HA -0.145 nan 4.420 nan 0.000 0.216 327 P C 0.887 178.188 177.300 0.001 0.000 1.150 327 P CA 1.302 64.395 63.100 -0.011 0.000 0.837 327 P CB 0.020 31.708 31.700 -0.020 0.000 0.786 328 I N -0.770 119.806 120.570 0.009 0.000 2.179 328 I HA -0.243 3.928 4.170 0.001 0.000 0.242 328 I C 2.321 178.444 176.117 0.010 0.000 1.088 328 I CA 1.446 62.759 61.300 0.021 0.000 1.357 328 I CB -0.907 37.117 38.000 0.040 0.000 1.051 328 I HN -0.082 nan 8.210 nan 0.000 0.409 329 A N 0.952 123.770 122.820 -0.003 0.000 1.908 329 A HA -0.270 4.051 4.320 0.001 0.000 0.218 329 A C 2.444 180.023 177.584 -0.008 0.000 1.181 329 A CA 1.996 54.024 52.037 -0.016 0.000 0.627 329 A CB -0.712 18.270 19.000 -0.029 0.000 0.818 329 A HN 0.370 nan 8.150 nan 0.000 0.445 330 R N -1.131 119.366 120.500 -0.006 0.000 2.096 330 R HA -0.122 4.218 4.340 0.001 0.000 0.235 330 R C 2.222 178.512 176.300 -0.018 0.000 1.127 330 R CA 1.668 57.761 56.100 -0.011 0.000 0.968 330 R CB -0.283 30.011 30.300 -0.009 0.000 0.861 330 R HN 0.528 nan 8.270 nan 0.000 0.440 331 M N 0.716 120.316 119.600 0.000 0.000 2.117 331 M HA -0.142 4.339 4.480 0.001 0.000 0.262 331 M C 1.772 178.102 176.300 0.050 0.000 1.065 331 M CA 1.650 56.962 55.300 0.019 0.000 1.114 331 M CB -0.306 32.319 32.600 0.042 0.000 1.361 331 M HN 0.296 nan 8.290 nan 0.000 0.408 332 L N 0.391 121.642 121.223 0.046 0.000 2.201 332 L HA -0.177 4.164 4.340 0.001 0.000 0.212 332 L C 2.635 179.501 176.870 -0.006 0.000 1.105 332 L CA 1.304 56.182 54.840 0.063 0.000 0.775 332 L CB -0.833 41.239 42.059 0.021 0.000 0.913 332 L HN 0.450 nan 8.230 nan 0.000 0.440 333 S N 1.093 116.758 115.700 -0.058 0.000 2.383 333 S HA -0.264 4.207 4.470 0.001 0.000 0.229 333 S C 2.035 176.466 174.600 -0.280 0.000 1.030 333 S CA 1.316 59.444 58.200 -0.120 0.000 1.002 333 S CB -0.527 62.625 63.200 -0.079 0.000 0.829 333 S HN 0.589 nan 8.310 nan 0.000 0.467 334 R N 0.597 120.910 120.500 -0.312 0.000 2.189 334 R HA 0.007 4.348 4.340 0.001 0.000 0.223 334 R C 1.557 177.450 176.300 -0.677 0.000 1.092 334 R CA 1.549 57.358 56.100 -0.485 0.000 0.989 334 R CB -0.787 29.240 30.300 -0.455 0.000 0.876 334 R HN 0.526 nan 8.270 nan 0.000 0.457 335 H N 0.198 119.100 119.070 -0.280 0.000 2.551 335 H HA 0.094 4.650 4.556 0.001 0.000 0.271 335 H C -0.275 174.997 175.328 -0.094 0.000 0.984 335 H CA 0.409 56.365 56.048 -0.154 0.000 1.164 335 H CB 0.018 29.748 29.762 -0.052 0.000 1.437 335 H HN 0.478 nan 8.280 nan 0.000 0.550 336 H N -0.853 118.240 119.070 0.039 0.000 2.741 336 H HA -0.114 4.443 4.556 0.001 0.000 0.305 336 H C 0.436 175.750 175.328 -0.023 0.000 1.169 336 H CA 0.361 56.404 56.048 -0.008 0.000 1.144 336 H CB -1.619 28.133 29.762 -0.016 0.000 1.397 336 H HN 0.499 nan 8.280 nan 0.000 0.409 337 A N 0.261 123.114 122.820 0.054 0.000 2.264 337 A HA 0.689 5.010 4.320 0.001 0.000 0.304 337 A C 0.460 178.019 177.584 -0.042 0.000 1.100 337 A CA -0.627 51.416 52.037 0.010 0.000 0.839 337 A CB 0.904 19.918 19.000 0.023 0.000 1.121 337 A HN 0.317 nan 8.150 nan 0.000 0.496 338 I N 0.790 121.323 120.570 -0.062 0.000 2.385 338 I HA 0.254 4.424 4.170 0.001 0.000 0.294 338 I C -0.204 175.899 176.117 -0.024 0.000 0.988 338 I CA -0.173 61.087 61.300 -0.067 0.000 1.265 338 I CB 1.370 39.334 38.000 -0.061 0.000 1.388 338 I HN 0.548 nan 8.210 nan 0.000 0.480 339 L N 6.285 127.496 121.223 -0.020 0.000 2.255 339 L HA 0.372 4.713 4.340 0.001 0.000 0.289 339 L C -0.444 176.446 176.870 0.034 0.000 1.046 339 L CA -0.069 54.766 54.840 -0.009 0.000 0.816 339 L CB 0.686 42.714 42.059 -0.052 0.000 1.197 339 L HN 0.596 nan 8.230 nan 0.000 0.427 340 T N 5.599 120.187 114.554 0.058 0.000 2.738 340 T HA 0.323 4.673 4.350 0.001 0.000 0.298 340 T C -0.528 174.259 174.700 0.145 0.000 0.962 340 T CA -0.068 62.089 62.100 0.094 0.000 0.972 340 T CB 0.456 69.360 68.868 0.060 0.000 0.928 340 T HN 0.317 nan 8.240 nan 0.000 0.474 341 F N 1.921 121.848 119.950 -0.038 0.000 2.518 341 F HA 0.747 5.275 4.527 0.001 0.000 0.338 341 F C 0.691 176.474 175.800 -0.029 0.000 1.065 341 F CA -0.621 57.337 58.000 -0.071 0.000 1.012 341 F CB 1.905 40.826 39.000 -0.132 0.000 1.297 341 F HN 0.487 nan 8.300 nan 0.000 0.489 342 T N -0.897 113.168 114.554 -0.814 0.000 2.633 342 T HA 0.338 4.689 4.350 0.001 0.000 0.262 342 T C -0.209 174.182 174.700 -0.514 0.000 0.920 342 T CA 0.304 62.111 62.100 -0.488 0.000 1.062 342 T CB 0.489 69.136 68.868 -0.368 0.000 1.390 342 T HN 0.823 nan 8.240 nan 0.000 0.549 343 C N 0.530 119.661 119.300 -0.282 0.000 4.326 343 C HA -0.104 4.356 4.460 0.001 0.000 0.284 343 C C 1.693 176.629 174.990 -0.090 0.000 1.419 343 C CA 0.186 59.097 59.018 -0.178 0.000 1.920 343 C CB -2.903 24.727 27.740 -0.184 0.000 1.306 343 C HN 0.792 nan 8.230 nan 0.000 0.786 344 L N 1.455 122.654 121.223 -0.040 0.000 2.450 344 L HA -0.084 4.257 4.340 0.001 0.000 0.224 344 L C 2.459 179.348 176.870 0.033 0.000 1.149 344 L CA 2.477 57.350 54.840 0.055 0.000 0.816 344 L CB -0.347 41.780 42.059 0.113 0.000 0.932 344 L HN 0.706 nan 8.230 nan 0.000 0.449 345 E N -1.436 118.741 120.200 -0.037 0.000 2.473 345 E HA 0.021 4.371 4.350 0.001 0.000 0.204 345 E C 0.725 177.267 176.600 -0.096 0.000 0.994 345 E CA 0.053 56.413 56.400 -0.067 0.000 0.945 345 E CB -0.009 29.617 29.700 -0.124 0.000 0.990 345 E HN 0.328 nan 8.360 nan 0.000 0.493 346 M N 1.498 121.025 119.600 -0.123 0.000 2.242 346 M HA 0.331 4.811 4.480 0.001 0.000 0.344 346 M C 0.339 176.558 176.300 -0.134 0.000 1.140 346 M CA 0.164 55.367 55.300 -0.163 0.000 1.160 346 M CB 0.921 33.364 32.600 -0.261 0.000 1.491 346 M HN -0.215 nan 8.290 nan 0.000 0.459 347 R N 0.783 121.205 120.500 -0.130 0.000 2.670 347 R HA 0.227 4.567 4.340 0.001 0.000 0.289 347 R C -0.165 176.071 176.300 -0.105 0.000 0.965 347 R CA -0.903 55.141 56.100 -0.095 0.000 0.899 347 R CB 1.535 31.798 30.300 -0.061 0.000 1.173 347 R HN 0.627 nan 8.270 nan 0.000 0.456 348 D N 0.535 120.887 120.400 -0.081 0.000 2.133 348 D HA -0.186 4.454 4.640 0.001 0.000 0.195 348 D C 1.668 177.942 176.300 -0.043 0.000 0.997 348 D CA 2.117 56.082 54.000 -0.059 0.000 0.840 348 D CB -0.073 40.709 40.800 -0.030 0.000 0.947 348 D HN 0.546 nan 8.370 nan 0.000 0.452 349 S N 0.024 115.702 115.700 -0.037 0.000 2.500 349 S HA -0.117 4.353 4.470 0.001 0.000 0.239 349 S C 1.392 175.969 174.600 -0.038 0.000 0.989 349 S CA 0.595 58.778 58.200 -0.028 0.000 0.951 349 S CB -0.336 62.852 63.200 -0.021 0.000 0.759 349 S HN 0.350 nan 8.310 nan 0.000 0.523 350 E N 0.615 120.779 120.200 -0.059 0.000 2.489 350 E HA 0.108 4.458 4.350 0.001 0.000 0.193 350 E C -0.009 176.549 176.600 -0.070 0.000 1.057 350 E CA 0.093 56.450 56.400 -0.072 0.000 0.866 350 E CB 0.141 29.780 29.700 -0.100 0.000 0.916 350 E HN 0.535 nan 8.360 nan 0.000 0.500 351 Q N 1.582 121.354 119.800 -0.046 0.000 2.245 351 Q HA 0.293 4.633 4.340 0.001 0.000 0.256 351 Q C -2.210 173.804 176.000 0.024 0.000 0.942 351 Q CA -2.450 53.356 55.803 0.004 0.000 0.896 351 Q CB 0.730 29.501 28.738 0.054 0.000 1.272 351 Q HN 0.025 nan 8.270 nan 0.000 0.442 352 P HA 0.048 nan 4.420 nan 0.000 0.266 352 P C 0.178 177.471 177.300 -0.013 0.000 1.195 352 P CA 0.161 63.272 63.100 0.018 0.000 0.768 352 P CB 0.838 32.558 31.700 0.033 0.000 0.838 353 S N 1.620 117.307 115.700 -0.022 0.000 2.370 353 S HA -0.169 4.302 4.470 0.001 0.000 0.226 353 S C 1.261 175.824 174.600 -0.063 0.000 1.033 353 S CA 1.817 59.999 58.200 -0.029 0.000 1.011 353 S CB -0.665 62.527 63.200 -0.013 0.000 0.852 353 S HN 0.726 nan 8.310 nan 0.000 0.457 354 D N 1.503 121.859 120.400 -0.073 0.000 2.378 354 D HA 0.104 4.744 4.640 0.001 0.000 0.227 354 D C 1.200 177.319 176.300 -0.302 0.000 1.012 354 D CA 0.694 54.637 54.000 -0.094 0.000 0.905 354 D CB -0.231 40.547 40.800 -0.036 0.000 0.895 354 D HN 0.400 nan 8.370 nan 0.000 0.532 355 A N 0.478 123.067 122.820 -0.384 0.000 2.195 355 A HA 0.044 4.364 4.320 0.001 0.000 0.210 355 A C 0.804 177.910 177.584 -0.798 0.000 1.165 355 A CA -0.174 51.419 52.037 -0.740 0.000 0.806 355 A CB -0.136 18.594 19.000 -0.450 0.000 0.847 355 A HN 0.003 nan 8.150 nan 0.000 0.482 356 K N 0.923 121.092 120.400 -0.386 0.000 3.257 356 K HA -0.117 4.204 4.320 0.001 0.000 0.270 356 K C -0.542 176.019 176.600 -0.065 0.000 0.984 356 K CA 0.872 57.052 56.287 -0.179 0.000 0.739 356 K CB -2.471 29.962 32.500 -0.112 0.000 1.351 356 K HN 0.479 nan 8.250 nan 0.000 0.463 357 S N -0.373 115.344 115.700 0.029 0.000 2.525 357 S HA 0.547 5.017 4.470 0.001 0.000 0.278 357 S C 1.025 175.715 174.600 0.150 0.000 1.234 357 S CA -0.050 58.272 58.200 0.204 0.000 1.058 357 S CB 1.812 65.228 63.200 0.361 0.000 0.983 357 S HN 0.481 nan 8.310 nan 0.000 0.495 358 G N 2.970 111.873 108.800 0.171 0.000 4.855 358 G HA2 0.313 4.273 3.960 0.001 0.000 0.275 358 G HA3 0.313 4.273 3.960 0.001 0.000 0.275 358 G C -1.787 173.022 174.900 -0.150 0.000 1.282 358 G CA -0.985 44.149 45.100 0.057 0.000 0.930 358 G HN 0.471 nan 8.290 nan 0.000 0.575 359 P HA -0.214 nan 4.420 nan 0.000 0.216 359 P C 1.447 178.629 177.300 -0.196 0.000 1.150 359 P CA 1.123 64.118 63.100 -0.175 0.000 0.837 359 P CB 0.513 32.020 31.700 -0.322 0.000 0.786 360 Q N -0.067 119.624 119.800 -0.183 0.000 2.046 360 Q HA -0.175 4.165 4.340 0.001 0.000 0.200 360 Q C 2.245 178.072 176.000 -0.289 0.000 0.975 360 Q CA 1.529 57.211 55.803 -0.201 0.000 0.836 360 Q CB -0.353 28.296 28.738 -0.149 0.000 0.896 360 Q HN 0.281 nan 8.270 nan 0.000 0.428 361 E N 0.580 120.632 120.200 -0.246 0.000 2.106 361 E HA -0.169 4.182 4.350 0.001 0.000 0.192 361 E C 1.700 178.081 176.600 -0.364 0.000 0.984 361 E CA 0.554 56.822 56.400 -0.220 0.000 0.806 361 E CB -0.133 29.582 29.700 0.026 0.000 0.750 361 E HN 0.145 nan 8.360 nan 0.000 0.458 362 L N 0.093 120.935 121.223 -0.636 0.000 2.017 362 L HA -0.137 4.204 4.340 0.001 0.000 0.208 362 L C 2.052 178.683 176.870 -0.399 0.000 1.073 362 L CA 1.411 55.848 54.840 -0.671 0.000 0.745 362 L CB -0.517 41.165 42.059 -0.627 0.000 0.894 362 L HN 0.015 nan 8.230 nan 0.000 0.432 363 V N -0.294 119.472 119.914 -0.247 0.000 2.287 363 V HA -0.371 3.750 4.120 0.001 0.000 0.248 363 V C 2.627 178.499 176.094 -0.370 0.000 1.053 363 V CA 2.202 64.399 62.300 -0.172 0.000 1.027 363 V CB -0.648 31.146 31.823 -0.047 0.000 0.646 363 V HN 0.581 nan 8.190 nan 0.000 0.447 364 Q N -0.838 118.627 119.800 -0.559 0.000 2.124 364 Q HA -0.282 4.058 4.340 0.001 0.000 0.202 364 Q C 2.387 178.207 176.000 -0.300 0.000 0.977 364 Q CA 1.958 57.307 55.803 -0.756 0.000 0.850 364 Q CB -0.182 28.023 28.738 -0.888 0.000 0.901 364 Q HN 0.686 nan 8.270 nan 0.000 0.429 365 Q N 0.096 119.744 119.800 -0.253 0.000 2.016 365 Q HA -0.158 4.182 4.340 0.001 0.000 0.200 365 Q C 2.119 177.981 176.000 -0.231 0.000 0.978 365 Q CA 1.509 57.228 55.803 -0.140 0.000 0.833 365 Q CB 0.122 28.842 28.738 -0.030 0.000 0.895 365 Q HN 0.244 nan 8.270 nan 0.000 0.427 366 V N 1.450 121.068 119.914 -0.493 0.000 2.261 366 V HA -0.297 3.824 4.120 0.001 0.000 0.246 366 V C 2.443 178.226 176.094 -0.518 0.000 1.047 366 V CA 1.654 63.536 62.300 -0.697 0.000 1.015 366 V CB -0.628 30.284 31.823 -1.520 0.000 0.642 366 V HN 0.407 nan 8.190 nan 0.000 0.446 367 L N -0.244 120.691 121.223 -0.480 0.000 2.046 367 L HA -0.157 4.184 4.340 0.001 0.000 0.208 367 L C 2.623 179.181 176.870 -0.520 0.000 1.077 367 L CA 1.780 56.250 54.840 -0.616 0.000 0.747 367 L CB -0.908 40.849 42.059 -0.503 0.000 0.896 367 L HN 0.324 nan 8.230 nan 0.000 0.432 368 S N 0.395 116.116 115.700 0.035 0.000 2.368 368 S HA -0.124 4.347 4.470 0.001 0.000 0.225 368 S C 2.071 176.822 174.600 0.251 0.000 1.030 368 S CA 1.249 59.731 58.200 0.470 0.000 0.999 368 S CB -0.613 62.836 63.200 0.415 0.000 0.844 368 S HN 0.611 nan 8.310 nan 0.000 0.459 369 G N 1.220 110.035 108.800 0.025 0.000 2.442 369 G HA2 -0.091 3.869 3.960 0.001 0.000 0.219 369 G HA3 -0.091 3.869 3.960 0.001 0.000 0.219 369 G C 1.407 176.310 174.900 0.004 0.000 1.141 369 G CA 1.017 46.121 45.100 0.006 0.000 0.763 369 G HN 0.564 nan 8.290 nan 0.000 0.554 370 G N -0.115 108.616 108.800 -0.116 0.000 2.404 370 G HA2 -0.158 3.802 3.960 0.001 0.000 0.215 370 G HA3 -0.158 3.802 3.960 0.001 0.000 0.215 370 G C 1.578 176.494 174.900 0.027 0.000 1.174 370 G CA 0.797 45.818 45.100 -0.132 0.000 0.780 370 G HN 0.384 nan 8.290 nan 0.000 0.537 371 W N 0.829 122.210 121.300 0.134 0.000 2.425 371 W HA 0.073 4.734 4.660 0.001 0.000 0.277 371 W C 2.605 179.239 176.519 0.193 0.000 1.231 371 W CA 0.635 58.052 57.345 0.119 0.000 1.248 371 W CB -0.554 28.923 29.460 0.029 0.000 1.117 371 W HN 0.222 nan 8.180 nan 0.000 0.568 372 R N 1.104 121.882 120.500 0.463 0.000 2.081 372 R HA -0.135 4.206 4.340 0.001 0.000 0.235 372 R C 1.665 178.077 176.300 0.187 0.000 1.131 372 R CA 1.549 57.843 56.100 0.322 0.000 0.960 372 R CB -0.350 30.066 30.300 0.195 0.000 0.856 372 R HN -0.159 nan 8.270 nan 0.000 0.436 373 E N 0.361 120.644 120.200 0.137 0.000 2.489 373 E HA -0.038 4.312 4.350 0.001 0.000 0.193 373 E C -0.308 176.342 176.600 0.083 0.000 1.057 373 E CA 0.421 56.869 56.400 0.080 0.000 0.866 373 E CB 0.053 29.777 29.700 0.040 0.000 0.916 373 E HN 0.311 nan 8.360 nan 0.000 0.500 374 D N 0.404 120.882 120.400 0.131 0.000 2.746 374 D HA -0.178 4.462 4.640 0.001 0.000 0.236 374 D C -0.385 175.968 176.300 0.088 0.000 1.129 374 D CA 0.524 54.597 54.000 0.121 0.000 0.691 374 D CB -1.512 39.339 40.800 0.084 0.000 1.077 374 D HN 0.427 nan 8.370 nan 0.000 0.432 375 I N -3.569 117.055 120.570 0.089 0.000 3.023 375 I HA 0.644 4.814 4.170 0.001 0.000 0.312 375 I C 0.222 176.373 176.117 0.057 0.000 1.056 375 I CA -1.362 59.959 61.300 0.034 0.000 1.033 375 I CB 1.596 39.593 38.000 -0.006 0.000 1.233 375 I HN -0.210 nan 8.210 nan 0.000 0.462 376 R N 1.792 122.273 120.500 -0.031 0.000 2.357 376 R HA 0.660 5.000 4.340 0.001 0.000 0.296 376 R C -1.185 175.119 176.300 0.007 0.000 1.052 376 R CA -0.651 55.432 56.100 -0.028 0.000 0.988 376 R CB 1.800 31.867 30.300 -0.387 0.000 1.025 376 R HN 0.482 nan 8.270 nan 0.000 0.469 377 V N 2.373 122.357 119.914 0.116 0.000 2.495 377 V HA 0.675 4.796 4.120 0.001 0.000 0.298 377 V C -0.162 176.054 176.094 0.204 0.000 1.031 377 V CA -0.631 61.695 62.300 0.043 0.000 0.871 377 V CB 1.564 33.245 31.823 -0.237 0.000 0.988 377 V HN 0.962 nan 8.190 nan 0.000 0.432 378 A N 3.231 126.161 122.820 0.184 0.000 2.387 378 A HA 1.076 5.397 4.320 0.001 0.000 0.298 378 A C 0.012 177.717 177.584 0.202 0.000 1.165 378 A CA -0.183 52.004 52.037 0.250 0.000 0.814 378 A CB 2.085 21.246 19.000 0.269 0.000 1.357 378 A HN 1.311 nan 8.150 nan 0.000 0.443 379 G N -1.042 107.886 108.800 0.213 0.000 2.649 379 G HA2 0.624 4.585 3.960 0.001 0.000 0.290 379 G HA3 0.624 4.585 3.960 0.001 0.000 0.290 379 G C -1.681 173.314 174.900 0.159 0.000 1.426 379 G CA -0.568 44.637 45.100 0.176 0.000 0.794 379 G HN 0.744 nan 8.290 nan 0.000 0.483 380 E N -0.174 120.081 120.200 0.092 0.000 2.413 380 E HA 0.288 4.638 4.350 0.001 0.000 0.277 380 E C -0.902 175.702 176.600 0.007 0.000 0.958 380 E CA -1.136 55.307 56.400 0.072 0.000 0.779 380 E CB 2.131 31.849 29.700 0.029 0.000 1.278 380 E HN 0.619 nan 8.360 nan 0.000 0.456 381 N N 0.415 119.103 118.700 -0.020 0.000 2.524 381 N HA 0.211 4.952 4.740 0.001 0.000 0.283 381 N C 0.144 175.578 175.510 -0.127 0.000 1.142 381 N CA -0.077 52.920 53.050 -0.088 0.000 0.984 381 N CB 1.713 40.115 38.487 -0.141 0.000 1.155 381 N HN 0.539 nan 8.380 nan 0.000 0.467 382 A N 2.240 124.983 122.820 -0.127 0.000 1.898 382 A HA 0.156 4.477 4.320 0.001 0.000 0.214 382 A C 0.999 178.513 177.584 -0.115 0.000 1.183 382 A CA 0.612 52.587 52.037 -0.104 0.000 0.622 382 A CB -0.123 18.835 19.000 -0.070 0.000 0.824 382 A HN 0.659 nan 8.150 nan 0.000 0.444 383 L N -0.983 120.146 121.223 -0.156 0.000 2.323 383 L HA 0.414 4.755 4.340 0.001 0.000 0.265 383 L C -2.740 173.975 176.870 -0.258 0.000 1.012 383 L CA -2.554 52.181 54.840 -0.174 0.000 0.820 383 L CB 1.816 43.780 42.059 -0.158 0.000 1.334 383 L HN -0.113 nan 8.230 nan 0.000 0.427 384 P HA 0.149 nan 4.420 nan 0.000 0.267 384 P C -1.135 175.871 177.300 -0.490 0.000 1.209 384 P CA -0.000 62.856 63.100 -0.406 0.000 0.763 384 P CB 0.442 31.993 31.700 -0.248 0.000 0.816 385 R N 2.928 123.021 120.500 -0.679 0.000 2.651 385 R HA 0.333 4.674 4.340 0.001 0.000 0.278 385 R C -0.562 175.279 176.300 -0.765 0.000 1.010 385 R CA -0.527 55.215 56.100 -0.597 0.000 0.896 385 R CB 1.445 31.483 30.300 -0.436 0.000 1.211 385 R HN 0.476 nan 8.270 nan 0.000 0.456 386 Y N -0.778 119.436 120.300 -0.144 0.000 2.563 386 Y HA 0.098 4.649 4.550 0.001 0.000 0.250 386 Y C 0.449 176.321 175.900 -0.047 0.000 1.126 386 Y CA -0.724 57.356 58.100 -0.034 0.000 1.231 386 Y CB 0.782 39.292 38.460 0.084 0.000 1.288 386 Y HN 0.454 nan 8.280 nan 0.000 0.537 387 D N 0.210 120.558 120.400 -0.085 0.000 2.312 387 D HA 0.302 4.942 4.640 0.001 0.000 0.248 387 D C 1.197 177.473 176.300 -0.040 0.000 1.086 387 D CA 0.190 54.181 54.000 -0.016 0.000 0.948 387 D CB 2.132 42.915 40.800 -0.028 0.000 1.162 387 D HN 0.083 nan 8.370 nan 0.000 0.446 388 A N 1.690 124.574 122.820 0.107 0.000 1.972 388 A HA -0.197 4.123 4.320 0.001 0.000 0.219 388 A C 2.150 179.778 177.584 0.073 0.000 1.169 388 A CA 2.466 54.599 52.037 0.161 0.000 0.635 388 A CB -1.218 17.853 19.000 0.119 0.000 0.810 388 A HN 0.798 nan 8.150 nan 0.000 0.446 389 T N -2.054 112.504 114.554 0.007 0.000 2.788 389 T HA 0.048 4.399 4.350 0.001 0.000 0.268 389 T C 1.922 176.595 174.700 -0.046 0.000 1.044 389 T CA 1.632 63.727 62.100 -0.009 0.000 1.139 389 T CB -0.557 68.298 68.868 -0.022 0.000 0.867 389 T HN 0.546 nan 8.240 nan 0.000 0.454 390 A N 0.735 123.470 122.820 -0.142 0.000 1.873 390 A HA 0.080 4.401 4.320 0.001 0.000 0.215 390 A C 2.186 179.661 177.584 -0.181 0.000 1.186 390 A CA 1.185 53.091 52.037 -0.218 0.000 0.616 390 A CB -1.177 17.594 19.000 -0.383 0.000 0.823 390 A HN 0.527 nan 8.150 nan 0.000 0.442 391 Y N 0.979 121.204 120.300 -0.125 0.000 2.165 391 Y HA -0.186 4.364 4.550 0.001 0.000 0.286 391 Y C 2.400 178.316 175.900 0.026 0.000 1.155 391 Y CA 1.356 59.345 58.100 -0.184 0.000 1.164 391 Y CB -0.602 37.733 38.460 -0.209 0.000 0.978 391 Y HN 0.314 nan 8.280 nan 0.000 0.513 392 N N -0.101 118.707 118.700 0.179 0.000 2.309 392 N HA -0.168 4.573 4.740 0.001 0.000 0.182 392 N C 1.838 177.423 175.510 0.125 0.000 1.018 392 N CA 1.172 54.306 53.050 0.140 0.000 0.876 392 N CB -0.306 38.237 38.487 0.094 0.000 0.972 392 N HN 0.391 nan 8.380 nan 0.000 0.434 393 Q N 0.865 120.723 119.800 0.096 0.000 2.123 393 Q HA 0.145 4.486 4.340 0.001 0.000 0.199 393 Q C 1.936 178.025 176.000 0.148 0.000 0.966 393 Q CA 0.848 56.711 55.803 0.101 0.000 0.845 393 Q CB -0.136 28.627 28.738 0.042 0.000 0.907 393 Q HN 0.353 nan 8.270 nan 0.000 0.439 394 I N -0.221 120.445 120.570 0.159 0.000 2.252 394 I HA -0.246 3.924 4.170 0.001 0.000 0.245 394 I C 1.950 178.222 176.117 0.259 0.000 1.102 394 I CA 1.018 62.454 61.300 0.226 0.000 1.385 394 I CB -0.223 37.948 38.000 0.285 0.000 1.064 394 I HN 0.227 nan 8.210 nan 0.000 0.414 395 I N 0.155 120.881 120.570 0.259 0.000 2.286 395 I HA -0.285 3.885 4.170 0.001 0.000 0.248 395 I C 2.485 178.671 176.117 0.116 0.000 1.115 395 I CA 0.981 62.380 61.300 0.165 0.000 1.392 395 I CB -0.237 37.840 38.000 0.128 0.000 1.065 395 I HN 0.252 nan 8.210 nan 0.000 0.418 396 L N 1.182 122.491 121.223 0.143 0.000 2.017 396 L HA -0.199 4.142 4.340 0.001 0.000 0.208 396 L C 2.114 179.091 176.870 0.178 0.000 1.073 396 L CA 1.975 56.899 54.840 0.140 0.000 0.745 396 L CB -0.912 41.265 42.059 0.197 0.000 0.894 396 L HN 0.208 nan 8.230 nan 0.000 0.432 397 N N 0.107 118.990 118.700 0.305 0.000 2.309 397 N HA -0.094 4.647 4.740 0.001 0.000 0.182 397 N C 1.773 177.462 175.510 0.297 0.000 1.018 397 N CA 1.272 54.579 53.050 0.429 0.000 0.876 397 N CB -0.308 38.433 38.487 0.424 0.000 0.972 397 N HN 0.556 nan 8.380 nan 0.000 0.434 398 A N 0.701 123.642 122.820 0.202 0.000 1.969 398 A HA 0.009 4.330 4.320 0.001 0.000 0.218 398 A C 1.063 178.690 177.584 0.073 0.000 1.169 398 A CA 1.007 53.140 52.037 0.161 0.000 0.635 398 A CB 0.112 19.171 19.000 0.099 0.000 0.810 398 A HN 0.166 nan 8.150 nan 0.000 0.445 399 R N -1.339 119.149 120.500 -0.020 0.000 2.718 399 R HA 0.211 4.552 4.340 0.001 0.000 0.266 399 R C -2.497 173.663 176.300 -0.233 0.000 1.776 399 R CA -1.426 54.590 56.100 -0.139 0.000 1.567 399 R CB 1.022 31.251 30.300 -0.118 0.000 1.336 399 R HN 0.134 nan 8.270 nan 0.000 0.619 400 P HA -0.212 nan 4.420 nan 0.000 0.217 400 P C 0.396 177.394 177.300 -0.503 0.000 1.151 400 P CA 1.470 64.087 63.100 -0.805 0.000 0.849 400 P CB 0.312 31.088 31.700 -1.541 0.000 0.787 401 Q N -1.123 118.452 119.800 -0.373 0.000 2.189 401 Q HA 0.375 4.715 4.340 0.001 0.000 0.221 401 Q C 0.754 176.657 176.000 -0.161 0.000 0.848 401 Q CA -0.032 55.634 55.803 -0.228 0.000 1.007 401 Q CB 0.385 28.992 28.738 -0.218 0.000 1.116 401 Q HN 0.134 nan 8.270 nan 0.000 0.481 402 G N 0.853 109.562 108.800 -0.152 0.000 2.741 402 G HA2 -0.255 3.706 3.960 0.001 0.000 0.222 402 G HA3 -0.255 3.706 3.960 0.001 0.000 0.222 402 G C -0.127 174.705 174.900 -0.112 0.000 1.364 402 G CA -0.417 44.618 45.100 -0.107 0.000 0.866 402 G HN 0.491 nan 8.290 nan 0.000 0.555 403 V N -1.625 118.236 119.914 -0.088 0.000 2.904 403 V HA 0.774 4.894 4.120 0.001 0.000 0.305 403 V C 0.439 176.487 176.094 -0.077 0.000 1.067 403 V CA -0.469 61.780 62.300 -0.084 0.000 1.044 403 V CB 1.898 33.678 31.823 -0.072 0.000 1.050 403 V HN 1.234 nan 8.190 nan 0.000 0.475 404 N N 2.435 121.091 118.700 -0.074 0.000 2.444 404 N HA 0.362 5.102 4.740 0.001 0.000 0.262 404 N C 0.359 175.838 175.510 -0.051 0.000 0.974 404 N CA -0.172 52.839 53.050 -0.065 0.000 0.933 404 N CB 0.969 39.414 38.487 -0.070 0.000 1.137 404 N HN 0.846 nan 8.380 nan 0.000 0.498 405 N N 2.277 120.950 118.700 -0.044 0.000 2.457 405 N HA -0.033 4.708 4.740 0.001 0.000 0.180 405 N C -0.527 174.963 175.510 -0.033 0.000 1.050 405 N CA 0.551 53.579 53.050 -0.037 0.000 0.906 405 N CB 0.137 38.604 38.487 -0.033 0.000 0.968 405 N HN 0.495 nan 8.380 nan 0.000 0.445 406 N N 0.205 118.884 118.700 -0.035 0.000 2.610 406 N HA 0.330 5.070 4.740 0.001 0.000 0.309 406 N C -0.196 175.294 175.510 -0.033 0.000 1.536 406 N CA -0.212 52.819 53.050 -0.031 0.000 0.954 406 N CB 1.466 39.936 38.487 -0.028 0.000 1.310 406 N HN 0.145 nan 8.380 nan 0.000 0.502 407 G N 0.456 109.236 108.800 -0.034 0.000 2.315 407 G HA2 -0.055 3.906 3.960 0.001 0.000 0.296 407 G HA3 -0.055 3.906 3.960 0.001 0.000 0.296 407 G C -3.268 171.608 174.900 -0.039 0.000 1.289 407 G CA -1.104 43.975 45.100 -0.034 0.000 0.996 407 G HN 0.008 nan 8.290 nan 0.000 0.487 408 P HA 0.361 nan 4.420 nan 0.000 0.277 408 P C -2.560 174.693 177.300 -0.079 0.000 1.240 408 P CA -1.084 61.989 63.100 -0.045 0.000 0.798 408 P CB 0.958 32.642 31.700 -0.028 0.000 0.979 409 P HA 0.088 nan 4.420 nan 0.000 0.272 409 P C 0.776 177.955 177.300 -0.201 0.000 1.223 409 P CA -0.165 62.845 63.100 -0.150 0.000 0.784 409 P CB 1.121 32.721 31.700 -0.166 0.000 0.923 410 K N 1.342 121.600 120.400 -0.236 0.000 2.211 410 K HA -0.005 4.315 4.320 0.001 0.000 0.203 410 K C 0.258 176.572 176.600 -0.477 0.000 1.050 410 K CA 0.967 57.081 56.287 -0.289 0.000 0.945 410 K CB -0.072 32.273 32.500 -0.258 0.000 0.732 410 K HN 0.452 nan 8.250 nan 0.000 0.451 411 L N 0.759 121.633 121.223 -0.581 0.000 2.410 411 L HA 0.320 4.661 4.340 0.001 0.000 0.270 411 L C -1.048 175.397 176.870 -0.710 0.000 0.983 411 L CA -0.857 53.397 54.840 -0.977 0.000 0.822 411 L CB 2.169 43.459 42.059 -1.283 0.000 1.285 411 L HN 0.025 nan 8.230 nan 0.000 0.409 412 S N 2.260 117.588 115.700 -0.620 0.000 2.543 412 S HA 0.635 5.105 4.470 0.001 0.000 0.274 412 S C -0.935 173.809 174.600 0.240 0.000 1.149 412 S CA -1.045 57.075 58.200 -0.134 0.000 0.866 412 S CB 1.575 64.736 63.200 -0.066 0.000 1.111 412 S HN 0.514 nan 8.310 nan 0.000 0.457 413 M N 2.015 121.844 119.600 0.381 0.000 2.228 413 M HA 0.373 4.854 4.480 0.001 0.000 0.326 413 M C 0.459 177.026 176.300 0.444 0.000 1.122 413 M CA -0.451 55.143 55.300 0.489 0.000 1.161 413 M CB 0.258 33.091 32.600 0.387 0.000 1.437 413 M HN 0.843 nan 8.290 nan 0.000 0.465 414 F N 0.651 120.793 119.950 0.320 0.000 2.456 414 F HA 0.235 4.763 4.527 0.001 0.000 0.298 414 F C 0.917 176.992 175.800 0.459 0.000 1.104 414 F CA 0.899 59.115 58.000 0.360 0.000 1.435 414 F CB 0.298 39.431 39.000 0.222 0.000 1.078 414 F HN 0.564 nan 8.300 nan 0.000 0.546 415 G N -0.754 108.282 108.800 0.395 0.000 2.355 415 G HA2 0.454 4.415 3.960 0.001 0.000 0.296 415 G HA3 0.454 4.415 3.960 0.001 0.000 0.296 415 G C -2.305 172.797 174.900 0.337 0.000 1.507 415 G CA -0.583 44.724 45.100 0.345 0.000 0.823 415 G HN -0.038 nan 8.290 nan 0.000 0.569 416 V N 0.273 120.380 119.914 0.322 0.000 2.638 416 V HA 0.719 4.840 4.120 0.001 0.000 0.306 416 V C -0.237 176.103 176.094 0.409 0.000 1.052 416 V CA -0.635 61.859 62.300 0.322 0.000 0.885 416 V CB 2.168 34.164 31.823 0.288 0.000 0.999 416 V HN 0.904 nan 8.190 nan 0.000 0.424 417 T N 4.355 119.135 114.554 0.376 0.000 2.779 417 T HA 0.441 4.791 4.350 0.001 0.000 0.280 417 T C -0.936 173.978 174.700 0.357 0.000 0.987 417 T CA -0.207 62.127 62.100 0.389 0.000 0.966 417 T CB 0.762 69.791 68.868 0.268 0.000 0.933 417 T HN 0.528 nan 8.240 nan 0.000 0.442 418 Y N 4.083 124.561 120.300 0.297 0.000 2.327 418 Y HA 0.576 5.126 4.550 0.001 0.000 0.336 418 Y C -0.536 175.462 175.900 0.162 0.000 1.035 418 Y CA -1.145 57.111 58.100 0.259 0.000 1.165 418 Y CB 0.619 39.336 38.460 0.429 0.000 1.181 418 Y HN 0.585 nan 8.280 nan 0.000 0.494 419 L N 8.655 129.567 121.223 -0.518 0.000 2.272 419 L HA 0.622 4.963 4.340 0.001 0.000 0.289 419 L C -0.843 175.543 176.870 -0.807 0.000 1.032 419 L CA -0.414 54.174 54.840 -0.419 0.000 0.810 419 L CB 0.403 42.308 42.059 -0.256 0.000 1.205 419 L HN 0.887 nan 8.230 nan 0.000 0.422 420 R N 4.372 124.642 120.500 -0.383 0.000 2.752 420 R HA 0.426 4.767 4.340 0.001 0.000 0.271 420 R C -1.795 174.578 176.300 0.123 0.000 1.026 420 R CA -0.894 55.178 56.100 -0.048 0.000 0.901 420 R CB 1.487 31.775 30.300 -0.019 0.000 1.243 420 R HN 0.694 nan 8.270 nan 0.000 0.463 421 L N 2.922 124.226 121.223 0.135 0.000 2.410 421 L HA 0.298 4.638 4.340 0.001 0.000 0.273 421 L C -0.789 176.133 176.870 0.087 0.000 1.144 421 L CA 0.561 55.469 54.840 0.114 0.000 0.863 421 L CB 0.825 42.940 42.059 0.093 0.000 1.140 421 L HN 0.909 nan 8.230 nan 0.000 0.463 422 S N 1.743 117.487 115.700 0.073 0.000 2.611 422 S HA 0.276 4.747 4.470 0.001 0.000 0.268 422 S C 0.043 174.642 174.600 -0.001 0.000 1.156 422 S CA -0.912 57.318 58.200 0.051 0.000 0.817 422 S CB 1.258 64.513 63.200 0.091 0.000 1.122 422 S HN 0.621 nan 8.310 nan 0.000 0.466 423 D N 0.816 121.202 120.400 -0.023 0.000 2.218 423 D HA -0.068 4.572 4.640 0.001 0.000 0.204 423 D C 0.804 177.049 176.300 -0.092 0.000 0.976 423 D CA 1.292 55.253 54.000 -0.064 0.000 0.853 423 D CB -0.267 40.500 40.800 -0.054 0.000 0.939 423 D HN 0.559 nan 8.370 nan 0.000 0.481 424 D N 0.400 120.749 120.400 -0.085 0.000 2.144 424 D HA -0.117 4.524 4.640 0.001 0.000 0.199 424 D C 2.116 178.250 176.300 -0.278 0.000 0.984 424 D CA 0.252 54.124 54.000 -0.213 0.000 0.834 424 D CB -0.243 40.409 40.800 -0.246 0.000 0.955 424 D HN 0.161 nan 8.370 nan 0.000 0.465 425 L N 0.070 121.260 121.223 -0.056 0.000 2.093 425 L HA -0.078 4.263 4.340 0.001 0.000 0.208 425 L C 1.577 178.439 176.870 -0.014 0.000 1.085 425 L CA 1.325 56.211 54.840 0.077 0.000 0.755 425 L CB -0.297 41.859 42.059 0.162 0.000 0.904 425 L HN -0.054 nan 8.230 nan 0.000 0.435 426 L N -0.125 120.990 121.223 -0.180 0.000 2.610 426 L HA 0.099 4.440 4.340 0.001 0.000 0.232 426 L C 1.141 177.887 176.870 -0.206 0.000 1.149 426 L CA 0.632 55.228 54.840 -0.407 0.000 0.872 426 L CB -1.319 40.463 42.059 -0.462 0.000 0.992 426 L HN 0.420 nan 8.230 nan 0.000 0.447 427 Q N 0.965 120.703 119.800 -0.103 0.000 2.330 427 Q HA -0.100 4.240 4.340 0.001 0.000 0.279 427 Q C 1.435 177.452 176.000 0.029 0.000 1.024 427 Q CA 0.034 55.801 55.803 -0.061 0.000 0.900 427 Q CB 0.834 29.518 28.738 -0.090 0.000 1.221 427 Q HN 0.068 nan 8.270 nan 0.000 0.396 428 K N 2.848 123.269 120.400 0.035 0.000 2.049 428 K HA -0.243 4.077 4.320 0.001 0.000 0.219 428 K C 1.491 178.156 176.600 0.110 0.000 1.056 428 K CA 2.661 59.001 56.287 0.088 0.000 0.946 428 K CB -0.469 32.061 32.500 0.049 0.000 0.723 428 K HN 0.666 nan 8.250 nan 0.000 0.453 429 S N 1.296 117.035 115.700 0.065 0.000 2.356 429 S HA -0.089 4.381 4.470 0.001 0.000 0.223 429 S C 1.730 176.390 174.600 0.100 0.000 1.032 429 S CA 1.332 59.571 58.200 0.065 0.000 1.005 429 S CB -0.355 62.867 63.200 0.036 0.000 0.867 429 S HN 0.392 nan 8.310 nan 0.000 0.449 430 N N 1.041 119.799 118.700 0.096 0.000 2.106 430 N HA -0.008 4.733 4.740 0.001 0.000 0.188 430 N C 1.402 177.076 175.510 0.272 0.000 1.029 430 N CA 0.855 54.000 53.050 0.160 0.000 0.848 430 N CB -0.629 37.865 38.487 0.013 0.000 1.007 430 N HN 0.311 nan 8.380 nan 0.000 0.423 431 F N 2.046 122.033 119.950 0.063 0.000 2.216 431 F HA -0.088 4.441 4.527 0.002 0.000 0.300 431 F C 1.992 177.862 175.800 0.116 0.000 1.085 431 F CA 0.896 58.951 58.000 0.091 0.000 1.326 431 F CB -0.495 38.524 39.000 0.032 0.000 1.027 431 F HN -0.002 nan 8.300 nan 0.000 0.497 432 N N 0.331 119.099 118.700 0.113 0.000 2.120 432 N HA -0.151 4.590 4.740 0.001 0.000 0.188 432 N C 1.869 177.348 175.510 -0.051 0.000 1.024 432 N CA 1.749 54.795 53.050 -0.006 0.000 0.852 432 N CB -0.237 38.272 38.487 0.036 0.000 1.003 432 N HN 0.328 nan 8.380 nan 0.000 0.424 433 I N -0.896 119.689 120.570 0.025 0.000 2.353 433 I HA -0.167 4.004 4.170 0.001 0.000 0.248 433 I C 1.659 177.665 176.117 -0.185 0.000 1.119 433 I CA 0.469 61.767 61.300 -0.002 0.000 1.417 433 I CB -0.253 37.847 38.000 0.166 0.000 1.078 433 I HN 0.099 nan 8.210 nan 0.000 0.421 434 F N 2.443 122.212 119.950 -0.302 0.000 2.126 434 F HA -0.219 4.309 4.527 0.002 0.000 0.299 434 F C 2.367 177.901 175.800 -0.444 0.000 1.096 434 F CA 1.710 59.421 58.000 -0.482 0.000 1.255 434 F CB -0.245 38.591 39.000 -0.273 0.000 0.997 434 F HN -0.143 nan 8.300 nan 0.000 0.479 435 K N 0.153 120.279 120.400 -0.457 0.000 2.097 435 K HA -0.185 4.136 4.320 0.001 0.000 0.206 435 K C 2.040 178.364 176.600 -0.459 0.000 1.049 435 K CA 1.695 57.675 56.287 -0.511 0.000 0.933 435 K CB -0.190 32.065 32.500 -0.407 0.000 0.717 435 K HN 0.294 nan 8.250 nan 0.000 0.442 436 K N 0.019 120.206 120.400 -0.355 0.000 2.155 436 K HA -0.114 4.206 4.320 0.001 0.000 0.203 436 K C 1.983 178.374 176.600 -0.349 0.000 1.052 436 K CA 0.992 57.107 56.287 -0.286 0.000 0.948 436 K CB -0.168 32.227 32.500 -0.176 0.000 0.728 436 K HN 0.081 nan 8.250 nan 0.000 0.448 437 F N 1.854 121.410 119.950 -0.656 0.000 2.102 437 F HA -0.208 4.320 4.527 0.001 0.000 0.298 437 F C 1.844 177.212 175.800 -0.720 0.000 1.105 437 F CA 1.142 58.706 58.000 -0.727 0.000 1.239 437 F CB -0.513 37.759 39.000 -1.214 0.000 0.991 437 F HN -0.303 nan 8.300 nan 0.000 0.474 438 V N 0.712 119.948 119.914 -1.130 0.000 2.295 438 V HA -0.276 3.845 4.120 0.001 0.000 0.246 438 V C 2.448 177.901 176.094 -1.068 0.000 1.049 438 V CA 1.820 63.361 62.300 -1.265 0.000 1.024 438 V CB -0.969 30.227 31.823 -1.045 0.000 0.648 438 V HN 0.478 nan 8.190 nan 0.000 0.447 439 L N 0.144 120.960 121.223 -0.679 0.000 2.046 439 L HA -0.137 4.203 4.340 0.001 0.000 0.208 439 L C 2.403 179.032 176.870 -0.401 0.000 1.077 439 L CA 1.979 56.554 54.840 -0.442 0.000 0.747 439 L CB -0.720 41.168 42.059 -0.285 0.000 0.896 439 L HN 0.140 nan 8.230 nan 0.000 0.432 440 K N -0.999 119.157 120.400 -0.406 0.000 2.148 440 K HA -0.041 4.279 4.320 0.001 0.000 0.204 440 K C 2.018 178.398 176.600 -0.367 0.000 1.050 440 K CA 1.069 57.172 56.287 -0.305 0.000 0.942 440 K CB -0.421 31.953 32.500 -0.211 0.000 0.724 440 K HN 0.343 nan 8.250 nan 0.000 0.446 441 M N -0.022 119.222 119.600 -0.593 0.000 2.175 441 M HA -0.096 4.385 4.480 0.001 0.000 0.264 441 M C 1.439 177.434 176.300 -0.509 0.000 1.063 441 M CA 1.516 56.463 55.300 -0.588 0.000 1.119 441 M CB -0.925 31.145 32.600 -0.884 0.000 1.377 441 M HN 0.278 nan 8.290 nan 0.000 0.415 442 H N -0.047 118.594 119.070 -0.715 0.000 2.543 442 H HA 0.283 4.840 4.556 0.001 0.000 0.269 442 H C 0.760 175.835 175.328 -0.421 0.000 1.005 442 H CA 0.032 55.552 56.048 -0.880 0.000 1.146 442 H CB 0.086 29.337 29.762 -0.851 0.000 1.353 442 H HN 0.472 nan 8.280 nan 0.000 0.595 443 A N 1.673 124.363 122.820 -0.216 0.000 2.739 443 A HA -0.274 4.047 4.320 0.001 0.000 0.296 443 A C 0.445 177.972 177.584 -0.096 0.000 1.488 443 A CA 0.780 52.735 52.037 -0.136 0.000 0.746 443 A CB -1.926 17.014 19.000 -0.100 0.000 1.047 443 A HN 0.740 nan 8.150 nan 0.000 0.477 444 D N -2.461 117.872 120.400 -0.112 0.000 3.079 444 D HA -0.161 4.480 4.640 0.001 0.000 0.214 444 D C 0.197 176.471 176.300 -0.044 0.000 1.145 444 D CA 2.007 55.958 54.000 -0.082 0.000 0.958 444 D CB -0.613 40.146 40.800 -0.069 0.000 1.117 444 D HN 0.882 nan 8.370 nan 0.000 0.416 445 Q N 0.628 120.419 119.800 -0.016 0.000 2.214 445 Q HA 0.370 4.710 4.340 0.001 0.000 0.251 445 Q C 0.230 176.268 176.000 0.062 0.000 0.936 445 Q CA -0.411 55.407 55.803 0.025 0.000 0.894 445 Q CB 1.030 29.806 28.738 0.064 0.000 1.252 445 Q HN 0.057 nan 8.270 nan 0.000 0.448 446 D N 0.503 120.935 120.400 0.052 0.000 2.361 446 D HA -0.008 4.632 4.640 0.001 0.000 0.239 446 D C -0.214 176.173 176.300 0.145 0.000 1.200 446 D CA -0.088 53.966 54.000 0.090 0.000 0.915 446 D CB 0.205 41.040 40.800 0.058 0.000 1.170 446 D HN 0.337 nan 8.370 nan 0.000 0.444 447 Y N 0.585 120.936 120.300 0.085 0.000 2.811 447 Y HA -0.001 4.550 4.550 0.001 0.000 0.334 447 Y C -0.264 175.635 175.900 -0.001 0.000 1.247 447 Y CA -0.447 57.697 58.100 0.073 0.000 1.526 447 Y CB 0.349 38.857 38.460 0.081 0.000 1.284 447 Y HN 0.263 nan 8.280 nan 0.000 0.586 448 C N 7.979 126.752 119.300 -0.878 0.000 2.321 448 C HA 0.698 5.159 4.460 0.001 0.000 0.323 448 C C 1.237 175.627 174.990 -1.000 0.000 1.191 448 C CA -0.147 58.371 59.018 -0.834 0.000 1.455 448 C CB -0.959 26.337 27.740 -0.741 0.000 2.083 448 C HN 1.098 nan 8.230 nan 0.000 0.442 449 A N 4.490 126.804 122.820 -0.844 0.000 1.930 449 A HA -0.027 4.294 4.320 0.001 0.000 0.217 449 A C 1.222 178.676 177.584 -0.216 0.000 1.175 449 A CA 1.283 53.070 52.037 -0.416 0.000 0.627 449 A CB -0.290 18.656 19.000 -0.090 0.000 0.815 449 A HN 0.821 nan 8.150 nan 0.000 0.443 450 N N -0.061 118.489 118.700 -0.250 0.000 2.500 450 N HA 0.272 5.013 4.740 0.001 0.000 0.236 450 N C -2.328 172.945 175.510 -0.395 0.000 1.022 450 N CA -2.182 50.730 53.050 -0.231 0.000 0.935 450 N CB 1.241 39.617 38.487 -0.184 0.000 1.147 450 N HN -0.076 nan 8.380 nan 0.000 0.512 451 P HA -0.160 nan 4.420 nan 0.000 0.218 451 P C 1.146 177.940 177.300 -0.844 0.000 1.146 451 P CA 1.033 63.568 63.100 -0.941 0.000 0.813 451 P CB 0.376 31.822 31.700 -0.423 0.000 0.778 452 Q N 0.201 119.744 119.800 -0.428 0.000 2.170 452 Q HA -0.201 4.139 4.340 0.001 0.000 0.203 452 Q C 1.813 177.645 176.000 -0.280 0.000 0.976 452 Q CA 1.471 57.108 55.803 -0.276 0.000 0.858 452 Q CB -0.206 28.431 28.738 -0.168 0.000 0.907 452 Q HN 0.217 nan 8.270 nan 0.000 0.433 453 K N -0.070 120.135 120.400 -0.326 0.000 2.152 453 K HA -0.179 4.141 4.320 0.001 0.000 0.206 453 K C 1.000 177.501 176.600 -0.165 0.000 1.048 453 K CA 1.506 57.659 56.287 -0.223 0.000 0.933 453 K CB -0.099 32.273 32.500 -0.213 0.000 0.721 453 K HN 0.462 nan 8.250 nan 0.000 0.447 454 Y N -0.768 119.386 120.300 -0.243 0.000 2.756 454 Y HA 0.342 4.892 4.550 0.001 0.000 0.300 454 Y C -0.269 175.604 175.900 -0.044 0.000 1.113 454 Y CA -0.935 57.039 58.100 -0.209 0.000 1.291 454 Y CB -0.982 37.241 38.460 -0.395 0.000 1.175 454 Y HN 0.066 nan 8.280 nan 0.000 0.534 455 N N 0.912 119.591 118.700 -0.034 0.000 2.754 455 N HA -0.283 4.458 4.740 0.001 0.000 0.248 455 N C -0.768 174.844 175.510 0.169 0.000 1.093 455 N CA 0.529 53.613 53.050 0.057 0.000 0.699 455 N CB -0.983 37.571 38.487 0.111 0.000 1.016 455 N HN 0.678 nan 8.380 nan 0.000 0.552 456 H N -0.611 118.328 119.070 -0.219 0.000 2.492 456 H HA 0.459 5.016 4.556 0.001 0.000 0.264 456 H C 0.250 175.512 175.328 -0.110 0.000 1.150 456 H CA 0.531 56.501 56.048 -0.129 0.000 0.962 456 H CB 0.431 30.023 29.762 -0.284 0.000 1.766 456 H HN 0.437 nan 8.280 nan 0.000 0.589 457 A N 0.962 123.771 122.820 -0.018 0.000 2.511 457 A HA 0.272 4.593 4.320 0.001 0.000 0.242 457 A C 0.115 177.711 177.584 0.021 0.000 1.069 457 A CA -0.029 51.990 52.037 -0.030 0.000 0.763 457 A CB -0.097 18.878 19.000 -0.042 0.000 1.001 457 A HN 0.453 nan 8.150 nan 0.000 0.498 458 I N 2.946 123.529 120.570 0.022 0.000 2.321 458 I HA 0.272 4.443 4.170 0.001 0.000 0.291 458 I C 0.727 176.850 176.117 0.010 0.000 0.998 458 I CA -0.268 61.053 61.300 0.036 0.000 1.227 458 I CB 1.668 39.702 38.000 0.056 0.000 1.368 458 I HN 0.816 nan 8.210 nan 0.000 0.466 459 T N 3.438 117.991 114.554 -0.002 0.000 2.944 459 T HA 0.502 4.853 4.350 0.001 0.000 0.284 459 T C -2.611 172.081 174.700 -0.013 0.000 1.010 459 T CA -2.329 59.763 62.100 -0.014 0.000 1.025 459 T CB 1.334 70.184 68.868 -0.030 0.000 1.079 459 T HN 0.174 nan 8.240 nan 0.000 0.516 460 P HA 0.105 nan 4.420 nan 0.000 0.264 460 P C -0.044 177.248 177.300 -0.013 0.000 1.193 460 P CA -0.369 62.730 63.100 -0.002 0.000 0.763 460 P CB 0.272 31.971 31.700 -0.002 0.000 0.810 461 L N 4.238 125.467 121.223 0.010 0.000 2.559 461 L HA 0.012 4.352 4.340 0.001 0.000 0.274 461 L C 0.684 177.556 176.870 0.002 0.000 1.205 461 L CA 0.412 55.258 54.840 0.010 0.000 0.907 461 L CB 0.233 42.333 42.059 0.068 0.000 1.153 461 L HN 0.302 nan 8.230 nan 0.000 0.490 462 K N 6.138 126.510 120.400 -0.047 0.000 2.123 462 K HA 0.524 4.845 4.320 0.001 0.000 0.248 462 K C -2.299 174.326 176.600 0.041 0.000 0.969 462 K CA -1.957 54.308 56.287 -0.037 0.000 0.882 462 K CB 0.770 33.195 32.500 -0.125 0.000 1.080 462 K HN 0.394 nan 8.250 nan 0.000 0.441 463 P HA 0.029 nan 4.420 nan 0.000 0.269 463 P C -0.363 177.033 177.300 0.161 0.000 1.209 463 P CA -0.010 63.149 63.100 0.098 0.000 0.776 463 P CB 0.471 32.210 31.700 0.064 0.000 0.876 464 S N 0.568 116.363 115.700 0.158 0.000 2.576 464 S HA 0.331 4.801 4.470 0.001 0.000 0.272 464 S C 0.736 175.347 174.600 0.018 0.000 1.352 464 S CA -0.346 57.914 58.200 0.099 0.000 1.021 464 S CB 0.245 63.467 63.200 0.036 0.000 0.887 464 S HN 0.679 nan 8.310 nan 0.000 0.542 465 A N 2.842 125.606 122.820 -0.093 0.000 2.296 465 A HA 0.543 4.864 4.320 0.001 0.000 0.264 465 A C -2.329 175.192 177.584 -0.105 0.000 1.097 465 A CA -1.423 50.567 52.037 -0.077 0.000 0.811 465 A CB -0.807 18.121 19.000 -0.120 0.000 1.072 465 A HN 0.536 nan 8.150 nan 0.000 0.495 466 P HA -0.005 nan 4.420 nan 0.000 0.267 466 P C -0.265 176.989 177.300 -0.077 0.000 1.201 466 P CA -0.075 62.993 63.100 -0.053 0.000 0.775 466 P CB 0.366 32.047 31.700 -0.030 0.000 0.854 467 K N 2.443 122.812 120.400 -0.051 0.000 2.489 467 K HA 0.106 4.427 4.320 0.001 0.000 0.278 467 K C -0.034 176.542 176.600 -0.040 0.000 1.000 467 K CA 0.379 56.639 56.287 -0.045 0.000 1.012 467 K CB -0.114 32.379 32.500 -0.013 0.000 0.903 467 K HN 0.407 nan 8.250 nan 0.000 0.485 468 I N 7.452 127.995 120.570 -0.044 0.000 2.312 468 I HA 0.155 4.326 4.170 0.001 0.000 0.290 468 I C -1.662 174.448 176.117 -0.012 0.000 1.008 468 I CA -2.143 59.138 61.300 -0.032 0.000 1.226 468 I CB 1.483 39.458 38.000 -0.042 0.000 1.371 468 I HN 0.396 nan 8.210 nan 0.000 0.468 469 P HA -0.028 nan 4.420 nan 0.000 0.267 469 P C 0.873 178.178 177.300 0.009 0.000 1.200 469 P CA -0.160 62.944 63.100 0.007 0.000 0.772 469 P CB 1.345 33.051 31.700 0.010 0.000 0.855 470 I N 2.580 123.159 120.570 0.016 0.000 2.248 470 I HA -0.297 3.873 4.170 0.001 0.000 0.248 470 I C 2.163 178.290 176.117 0.016 0.000 1.107 470 I CA 1.761 63.071 61.300 0.016 0.000 1.373 470 I CB -0.633 37.381 38.000 0.023 0.000 1.055 470 I HN 0.449 nan 8.210 nan 0.000 0.418 471 E N -0.124 120.089 120.200 0.020 0.000 2.153 471 E HA -0.159 4.192 4.350 0.001 0.000 0.194 471 E C 2.147 178.754 176.600 0.011 0.000 0.988 471 E CA 1.707 58.120 56.400 0.020 0.000 0.811 471 E CB -1.052 28.662 29.700 0.025 0.000 0.746 471 E HN 0.430 nan 8.360 nan 0.000 0.466 472 V N 1.098 121.016 119.914 0.007 0.000 2.453 472 V HA -0.186 3.934 4.120 0.001 0.000 0.247 472 V C 2.424 178.517 176.094 -0.002 0.000 1.048 472 V CA 0.969 63.270 62.300 0.002 0.000 1.049 472 V CB -0.443 31.379 31.823 -0.002 0.000 0.672 472 V HN 0.110 nan 8.190 nan 0.000 0.457 473 L N -0.380 120.842 121.223 -0.002 0.000 2.017 473 L HA -0.107 4.234 4.340 0.001 0.000 0.208 473 L C 2.173 179.039 176.870 -0.007 0.000 1.073 473 L CA 1.864 56.702 54.840 -0.004 0.000 0.745 473 L CB -0.810 41.249 42.059 -0.000 0.000 0.894 473 L HN 0.228 nan 8.230 nan 0.000 0.432 474 L N -1.012 120.209 121.223 -0.004 0.000 2.456 474 L HA -0.173 4.167 4.340 0.001 0.000 0.224 474 L C 2.163 179.023 176.870 -0.016 0.000 1.148 474 L CA 0.555 55.389 54.840 -0.010 0.000 0.825 474 L CB -0.494 41.565 42.059 0.000 0.000 0.937 474 L HN 0.396 nan 8.230 nan 0.000 0.450 475 E N 0.477 120.671 120.200 -0.010 0.000 2.268 475 E HA -0.137 4.213 4.350 0.001 0.000 0.195 475 E C 2.110 178.700 176.600 -0.017 0.000 0.995 475 E CA 0.797 57.191 56.400 -0.010 0.000 0.836 475 E CB 0.020 29.718 29.700 -0.004 0.000 0.763 475 E HN 0.486 nan 8.360 nan 0.000 0.491 476 A N 1.014 123.824 122.820 -0.018 0.000 2.239 476 A HA -0.089 4.231 4.320 0.001 0.000 0.209 476 A C 2.153 179.717 177.584 -0.034 0.000 1.171 476 A CA 1.296 53.322 52.037 -0.019 0.000 0.768 476 A CB -0.677 18.315 19.000 -0.014 0.000 0.790 476 A HN 0.317 nan 8.150 nan 0.000 0.478 477 T N -2.353 112.172 114.554 -0.049 0.000 3.118 477 T HA 0.032 4.382 4.350 0.001 0.000 0.260 477 T C 0.825 175.483 174.700 -0.071 0.000 1.139 477 T CA 0.411 62.463 62.100 -0.080 0.000 1.085 477 T CB -0.429 68.370 68.868 -0.114 0.000 0.934 477 T HN 0.425 nan 8.240 nan 0.000 0.518 478 K N 3.036 123.408 120.400 -0.047 0.000 2.436 478 K HA 0.158 4.479 4.320 0.001 0.000 0.282 478 K C -2.641 173.937 176.600 -0.036 0.000 1.044 478 K CA -1.663 54.601 56.287 -0.038 0.000 1.028 478 K CB 0.220 32.705 32.500 -0.025 0.000 0.919 478 K HN 0.129 nan 8.250 nan 0.000 0.474 479 P HA 0.015 nan 4.420 nan 0.000 0.268 479 P C -1.124 176.160 177.300 -0.026 0.000 1.204 479 P CA -0.080 63.002 63.100 -0.030 0.000 0.768 479 P CB 0.995 32.678 31.700 -0.028 0.000 0.842 480 T N 0.336 114.873 114.554 -0.028 0.000 2.907 480 T HA 0.576 4.927 4.350 0.001 0.000 0.292 480 T C -0.218 174.453 174.700 -0.048 0.000 1.043 480 T CA -1.040 61.034 62.100 -0.043 0.000 1.003 480 T CB 0.719 69.552 68.868 -0.059 0.000 1.084 480 T HN 0.061 nan 8.240 nan 0.000 0.483 481 L N 3.180 124.366 121.223 -0.062 0.000 2.380 481 L HA 0.386 4.727 4.340 0.001 0.000 0.273 481 L C -1.400 175.410 176.870 -0.100 0.000 1.138 481 L CA -1.772 53.037 54.840 -0.052 0.000 0.832 481 L CB 0.272 42.309 42.059 -0.038 0.000 1.124 481 L HN 0.578 nan 8.230 nan 0.000 0.454 482 P HA 0.118 nan 4.420 nan 0.000 0.273 482 P C -0.678 176.651 177.300 0.048 0.000 1.250 482 P CA -0.352 62.755 63.100 0.012 0.000 0.793 482 P CB 0.528 32.278 31.700 0.083 0.000 1.011 483 F N 0.090 120.243 119.950 0.337 0.000 2.450 483 F HA 0.248 4.775 4.527 0.001 0.000 0.339 483 F C -1.433 174.594 175.800 0.378 0.000 1.146 483 F CA -1.603 56.584 58.000 0.310 0.000 1.267 483 F CB -0.973 38.214 39.000 0.311 0.000 1.178 483 F HN 0.163 nan 8.300 nan 0.000 0.585 484 P HA -0.038 nan 4.420 nan 0.000 0.268 484 P C -0.874 176.651 177.300 0.376 0.000 1.204 484 P CA -0.057 63.244 63.100 0.336 0.000 0.768 484 P CB 0.407 32.227 31.700 0.200 0.000 0.842 485 W N 3.795 125.167 121.300 0.120 0.000 2.606 485 W HA 0.310 4.970 4.660 0.001 0.000 0.332 485 W C -0.572 175.990 176.519 0.072 0.000 1.052 485 W CA -0.704 56.704 57.345 0.105 0.000 1.223 485 W CB 1.779 31.304 29.460 0.108 0.000 1.383 485 W HN 0.196 nan 8.180 nan 0.000 0.524 486 L N 6.186 127.506 121.223 0.162 0.000 2.452 486 L HA 0.143 4.483 4.340 0.001 0.000 0.267 486 L C -0.808 176.173 176.870 0.185 0.000 1.188 486 L CA -1.291 53.620 54.840 0.118 0.000 0.821 486 L CB 0.298 42.376 42.059 0.031 0.000 1.102 486 L HN 0.249 nan 8.230 nan 0.000 0.470 487 P HA -0.070 nan 4.420 nan 0.000 0.225 487 P C -0.678 176.688 177.300 0.110 0.000 1.156 487 P CA 0.770 63.941 63.100 0.120 0.000 0.787 487 P CB 0.327 32.076 31.700 0.082 0.000 0.802 488 E N -2.513 117.743 120.200 0.094 0.000 2.388 488 E HA 0.336 4.686 4.350 0.001 0.000 0.280 488 E C -1.091 175.544 176.600 0.060 0.000 1.019 488 E CA -0.908 55.540 56.400 0.080 0.000 0.806 488 E CB 0.735 30.469 29.700 0.057 0.000 1.246 488 E HN -0.330 nan 8.360 nan 0.000 0.443 489 T N 0.146 114.734 114.554 0.056 0.000 2.856 489 T HA 0.041 4.392 4.350 0.001 0.000 0.306 489 T C 0.583 175.289 174.700 0.010 0.000 1.062 489 T CA 0.464 62.581 62.100 0.029 0.000 1.083 489 T CB 0.428 69.317 68.868 0.036 0.000 0.984 489 T HN 0.627 nan 8.240 nan 0.000 0.542 490 D N 2.420 122.814 120.400 -0.010 0.000 2.339 490 D HA 0.022 4.663 4.640 0.001 0.000 0.217 490 D C 0.541 176.826 176.300 -0.025 0.000 1.050 490 D CA 0.252 54.242 54.000 -0.017 0.000 0.856 490 D CB 0.104 40.887 40.800 -0.028 0.000 0.922 490 D HN 0.338 nan 8.370 nan 0.000 0.518 491 M N 1.219 120.803 119.600 -0.026 0.000 3.106 491 M HA 0.247 4.728 4.480 0.001 0.000 0.213 491 M C -0.513 175.773 176.300 -0.022 0.000 1.117 491 M CA -0.305 54.971 55.300 -0.040 0.000 0.900 491 M CB 0.658 33.218 32.600 -0.066 0.000 1.339 491 M HN -0.183 nan 8.290 nan 0.000 0.542 492 K N -0.080 120.315 120.400 -0.007 0.000 2.295 492 K HA 0.233 4.554 4.320 0.001 0.000 0.270 492 K C 1.140 177.740 176.600 0.001 0.000 1.011 492 K CA -0.352 55.943 56.287 0.012 0.000 0.953 492 K CB 1.911 34.421 32.500 0.016 0.000 0.956 492 K HN 0.077 nan 8.250 nan 0.000 0.477 493 V N 1.993 121.922 119.914 0.025 0.000 2.788 493 V HA -0.161 3.959 4.120 0.001 0.000 0.251 493 V C 0.448 176.549 176.094 0.012 0.000 1.068 493 V CA 1.305 63.610 62.300 0.010 0.000 1.090 493 V CB -0.789 31.064 31.823 0.050 0.000 0.710 493 V HN 0.962 nan 8.190 nan 0.000 0.467 494 D N -1.064 119.352 120.400 0.027 0.000 4.881 494 D HA -0.115 4.525 4.640 0.001 0.000 0.143 494 D C 0.536 176.857 176.300 0.035 0.000 0.667 494 D CA 1.564 55.578 54.000 0.023 0.000 1.397 494 D CB -1.512 39.294 40.800 0.009 0.000 0.889 494 D HN 0.600 nan 8.370 nan 0.000 0.544 495 G N 0.000 108.820 108.800 0.033 0.000 5.446 495 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 495 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 495 G CA 0.000 45.124 45.100 0.041 0.000 0.502 495 G HN 0.000 nan 8.290 nan 0.000 0.925