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 3oe7_1_W DATA FIRST_RESID 8 DATA SEQUENCE PITGKVTAVI GAIVDVHFEQ SELPAILNAL EIKTPQGKLV LEVAQHLGEN DATA SEQUENCE TVRTIAMDGT EGLVRGEKVL DTGGPISVPV GRETLGRIIN VIGEPIDERG DATA SEQUENCE PIKSKLRKPI HADPPSFAEQ STSAEILETG IKVVDLLAPY ARGGKIGLFG DATA SEQUENCE GAGVGKTVFI QELINNIAKA HGGFSVFTGV GERTREGNDL YREMKETGVI DATA SEQUENCE NLEGESKVAL VFGQMNEPPG ARARVALTGL TIAEYFRDEE GQDVLLFIDN DATA SEQUENCE IFRFTQAGSE VSALLGRIPS AVGYQPTLAT DMGLLQERIT TTKKGSVTSV DATA SEQUENCE QAVYVPADDL TDPAPATTFA HLDATTVLSR GISELGIYPA VDPLDSKSRL DATA SEQUENCE LDAAVVGQEH YDVASKVQET LQTYKSLQDI IAILGMDELS EQDKLTVERA DATA SEQUENCE RKIQRFLSQP FAVAEVFTGI PGKLVRLKDT VASFKAVLEG KYDNIPEHAF DATA SEQUENCE YMVGGIEDVV AKAEKLA 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.322 177.300 0.037 0.000 1.155 8 P CA 0.000 63.115 63.100 0.024 0.000 0.800 8 P CB 0.000 31.711 31.700 0.018 0.000 0.726 9 I N 0.097 120.698 120.570 0.053 0.000 2.396 9 I HA 0.370 4.540 4.170 0.000 0.000 0.289 9 I C 0.903 177.093 176.117 0.123 0.000 1.056 9 I CA 0.194 61.548 61.300 0.091 0.000 1.365 9 I CB 1.209 39.266 38.000 0.094 0.000 1.407 9 I HN 0.174 nan 8.210 nan 0.000 0.509 10 T N 3.987 118.607 114.554 0.109 0.000 2.938 10 T HA 0.875 5.225 4.350 0.000 0.000 0.285 10 T C -0.241 174.403 174.700 -0.093 0.000 1.028 10 T CA -0.502 61.619 62.100 0.035 0.000 1.005 10 T CB 1.633 70.495 68.868 -0.010 0.000 1.157 10 T HN 0.858 nan 8.240 nan 0.000 0.550 11 G N 1.276 109.893 108.800 -0.305 0.000 2.646 11 G HA2 0.582 4.542 3.960 0.000 0.000 0.291 11 G HA3 0.582 4.542 3.960 0.000 0.000 0.291 11 G C -1.943 172.717 174.900 -0.399 0.000 1.445 11 G CA -0.643 44.012 45.100 -0.741 0.000 0.814 11 G HN 0.701 nan 8.290 nan 0.000 0.495 12 K N 0.500 120.691 120.400 -0.348 0.000 2.376 12 K HA 0.539 4.859 4.320 0.000 0.000 0.257 12 K C -0.345 176.185 176.600 -0.116 0.000 0.939 12 K CA -0.696 55.498 56.287 -0.155 0.000 0.809 12 K CB 2.662 35.122 32.500 -0.066 0.000 1.121 12 K HN 0.283 nan 8.250 nan 0.000 0.425 13 V N 3.205 123.070 119.914 -0.083 0.000 2.585 13 V HA -0.053 4.067 4.120 0.000 0.000 0.296 13 V C 1.392 177.464 176.094 -0.037 0.000 1.035 13 V CA 0.883 63.154 62.300 -0.048 0.000 1.084 13 V CB 0.961 32.763 31.823 -0.035 0.000 0.953 13 V HN 1.057 nan 8.190 nan 0.000 0.483 14 T N 1.428 115.969 114.554 -0.021 0.000 2.978 14 T HA 0.521 4.871 4.350 0.000 0.000 0.248 14 T C 0.374 175.063 174.700 -0.018 0.000 1.018 14 T CA 0.478 62.561 62.100 -0.027 0.000 1.026 14 T CB 0.549 69.401 68.868 -0.026 0.000 1.032 14 T HN 0.940 nan 8.240 nan 0.000 0.485 15 A N 0.688 123.504 122.820 -0.006 0.000 2.455 15 A HA 0.709 5.029 4.320 0.000 0.000 0.300 15 A C -1.344 176.240 177.584 0.001 0.000 1.040 15 A CA -0.649 51.387 52.037 -0.002 0.000 0.697 15 A CB 2.038 21.041 19.000 0.004 0.000 1.265 15 A HN 0.272 nan 8.150 nan 0.000 0.407 16 V N 3.892 123.805 119.914 -0.001 0.000 2.340 16 V HA 0.353 4.473 4.120 0.000 0.000 0.277 16 V C -0.780 175.315 176.094 0.001 0.000 1.017 16 V CA 0.061 62.361 62.300 0.001 0.000 0.820 16 V CB 0.642 32.464 31.823 -0.002 0.000 1.028 16 V HN 0.702 nan 8.190 nan 0.000 0.436 17 I N 4.313 124.885 120.570 0.004 0.000 2.390 17 I HA 0.641 4.811 4.170 0.000 0.000 0.283 17 I C 1.290 177.409 176.117 0.003 0.000 1.016 17 I CA -0.007 61.295 61.300 0.003 0.000 1.151 17 I CB 1.192 39.194 38.000 0.004 0.000 1.293 17 I HN 0.712 nan 8.210 nan 0.000 0.458 18 G N 5.165 113.966 108.800 0.002 0.000 2.665 18 G HA2 -0.412 3.548 3.960 0.000 0.000 0.326 18 G HA3 -0.412 3.548 3.960 0.000 0.000 0.326 18 G C 0.932 175.834 174.900 0.004 0.000 1.231 18 G CA 0.695 45.796 45.100 0.002 0.000 0.992 18 G HN 0.812 nan 8.290 nan 0.000 0.549 19 A N -0.314 122.508 122.820 0.004 0.000 2.275 19 A HA 0.560 4.880 4.320 0.000 0.000 0.212 19 A C 0.934 178.525 177.584 0.011 0.000 1.201 19 A CA 0.867 52.908 52.037 0.007 0.000 0.843 19 A CB -0.032 18.970 19.000 0.005 0.000 0.873 19 A HN 0.657 nan 8.150 nan 0.000 0.492 20 I N 1.210 121.786 120.570 0.011 0.000 2.336 20 I HA 0.403 4.573 4.170 0.000 0.000 0.292 20 I C -0.793 175.334 176.117 0.017 0.000 0.991 20 I CA -0.619 60.690 61.300 0.015 0.000 1.227 20 I CB 0.993 39.002 38.000 0.014 0.000 1.366 20 I HN -0.169 nan 8.210 nan 0.000 0.466 21 V N 5.194 125.122 119.914 0.023 0.000 2.540 21 V HA 0.396 4.516 4.120 0.000 0.000 0.302 21 V C -0.680 175.433 176.094 0.032 0.000 1.035 21 V CA -0.711 61.602 62.300 0.022 0.000 0.873 21 V CB 2.363 34.199 31.823 0.021 0.000 0.992 21 V HN 0.579 nan 8.190 nan 0.000 0.428 22 D N 3.248 123.665 120.400 0.029 0.000 2.256 22 D HA 0.588 5.228 4.640 0.000 0.000 0.240 22 D C -0.552 175.770 176.300 0.037 0.000 1.062 22 D CA -0.108 53.916 54.000 0.042 0.000 0.832 22 D CB 2.195 43.018 40.800 0.038 0.000 1.135 22 D HN 0.253 nan 8.370 nan 0.000 0.484 23 V N 2.522 122.472 119.914 0.060 0.000 2.495 23 V HA 0.194 4.314 4.120 0.000 0.000 0.298 23 V C -0.026 176.087 176.094 0.031 0.000 1.031 23 V CA -0.861 61.443 62.300 0.007 0.000 0.871 23 V CB 1.926 33.741 31.823 -0.013 0.000 0.988 23 V HN 0.564 nan 8.190 nan 0.000 0.432 24 H N 3.679 122.643 119.070 -0.177 0.000 2.502 24 H HA 0.549 5.105 4.556 0.000 0.000 0.327 24 H C -1.372 173.752 175.328 -0.341 0.000 1.099 24 H CA -0.009 55.958 56.048 -0.134 0.000 1.323 24 H CB 1.202 30.902 29.762 -0.105 0.000 1.450 24 H HN 0.516 nan 8.280 nan 0.000 0.502 25 F N 1.055 120.676 119.950 -0.549 0.000 2.979 25 F HA 0.296 4.823 4.527 0.000 0.000 0.370 25 F C 0.225 175.723 175.800 -0.504 0.000 1.320 25 F CA -0.787 56.980 58.000 -0.389 0.000 1.095 25 F CB 0.839 39.696 39.000 -0.238 0.000 1.553 25 F HN 0.449 nan 8.300 nan 0.000 0.493 26 E N -0.144 120.052 120.200 -0.007 0.000 2.299 26 E HA 0.298 4.648 4.350 0.000 0.000 0.260 26 E C -1.361 175.220 176.600 -0.033 0.000 0.944 26 E CA -0.954 55.416 56.400 -0.049 0.000 0.815 26 E CB 1.131 30.832 29.700 0.002 0.000 1.252 26 E HN 0.307 nan 8.360 nan 0.000 0.418 27 Q N 0.726 120.514 119.800 -0.020 0.000 2.362 27 Q HA -0.004 4.336 4.340 0.000 0.000 0.305 27 Q C 0.202 176.192 176.000 -0.017 0.000 1.120 27 Q CA 0.785 56.580 55.803 -0.013 0.000 1.011 27 Q CB -0.379 28.360 28.738 0.002 0.000 1.048 27 Q HN 0.702 nan 8.270 nan 0.000 0.386 28 S N 0.817 116.501 115.700 -0.027 0.000 3.477 28 S HA -0.324 4.146 4.470 0.000 0.000 0.357 28 S C 0.403 174.975 174.600 -0.046 0.000 1.083 28 S CA 1.400 59.581 58.200 -0.031 0.000 1.042 28 S CB -1.196 61.996 63.200 -0.013 0.000 0.911 28 S HN 0.826 nan 8.310 nan 0.000 0.490 29 E N 0.051 120.216 120.200 -0.058 0.000 2.651 29 E HA 0.431 4.781 4.350 0.000 0.000 0.213 29 E C -0.340 176.144 176.600 -0.193 0.000 1.028 29 E CA -0.405 55.957 56.400 -0.064 0.000 1.183 29 E CB 0.134 29.838 29.700 0.007 0.000 1.188 29 E HN 0.724 nan 8.360 nan 0.000 0.444 30 L N 2.356 123.423 121.223 -0.260 0.000 2.309 30 L HA 0.437 4.777 4.340 0.000 0.000 0.282 30 L C -2.003 174.607 176.870 -0.433 0.000 1.036 30 L CA -2.055 52.493 54.840 -0.486 0.000 0.806 30 L CB 1.099 42.935 42.059 -0.372 0.000 1.220 30 L HN 0.085 nan 8.230 nan 0.000 0.429 31 P HA 0.204 nan 4.420 nan 0.000 0.281 31 P C -0.577 176.646 177.300 -0.128 0.000 1.252 31 P CA -0.399 62.500 63.100 -0.335 0.000 0.778 31 P CB 1.204 32.677 31.700 -0.378 0.000 0.895 32 A N 4.708 127.495 122.820 -0.056 0.000 2.520 32 A HA 0.151 4.471 4.320 0.000 0.000 0.235 32 A C 0.748 178.333 177.584 0.001 0.000 1.065 32 A CA -0.383 51.656 52.037 0.003 0.000 0.764 32 A CB -0.525 18.456 19.000 -0.031 0.000 1.002 32 A HN 0.570 nan 8.150 nan 0.000 0.502 33 I N 1.090 121.659 120.570 -0.001 0.000 2.880 33 I HA -0.092 4.078 4.170 0.000 0.000 0.296 33 I C 0.818 176.882 176.117 -0.089 0.000 1.220 33 I CA 0.796 62.076 61.300 -0.033 0.000 1.435 33 I CB 0.010 37.965 38.000 -0.075 0.000 1.339 33 I HN 0.753 nan 8.210 nan 0.000 0.583 34 L N 1.548 122.707 121.223 -0.107 0.000 4.892 34 L HA -0.241 4.099 4.340 0.000 0.000 0.403 34 L C 0.070 176.886 176.870 -0.089 0.000 0.913 34 L CA 0.092 54.812 54.840 -0.200 0.000 1.653 34 L CB -1.653 40.138 42.059 -0.447 0.000 1.780 34 L HN 0.710 nan 8.230 nan 0.000 0.597 35 N N 1.215 119.890 118.700 -0.041 0.000 2.508 35 N HA 0.504 5.244 4.740 0.000 0.000 0.264 35 N C 0.357 175.879 175.510 0.020 0.000 1.216 35 N CA 0.822 53.868 53.050 -0.008 0.000 0.943 35 N CB 0.869 39.340 38.487 -0.026 0.000 1.113 35 N HN 0.309 nan 8.380 nan 0.000 0.447 36 A N 2.080 124.922 122.820 0.036 0.000 2.354 36 A HA 0.558 4.878 4.320 0.000 0.000 0.269 36 A C -0.421 177.194 177.584 0.052 0.000 1.109 36 A CA -0.336 51.730 52.037 0.048 0.000 0.800 36 A CB 0.092 19.121 19.000 0.048 0.000 1.045 36 A HN 0.619 nan 8.150 nan 0.000 0.489 37 L N 1.799 123.060 121.223 0.063 0.000 2.385 37 L HA 0.475 4.815 4.340 0.000 0.000 0.273 37 L C -0.178 176.729 176.870 0.062 0.000 0.990 37 L CA -0.364 54.526 54.840 0.083 0.000 0.821 37 L CB 2.013 44.144 42.059 0.119 0.000 1.279 37 L HN 0.767 nan 8.230 nan 0.000 0.412 38 E N 3.311 123.544 120.200 0.056 0.000 2.179 38 E HA 0.638 4.988 4.350 0.000 0.000 0.275 38 E C -1.135 175.481 176.600 0.027 0.000 0.945 38 E CA -0.595 55.827 56.400 0.037 0.000 0.792 38 E CB 2.900 32.619 29.700 0.031 0.000 1.125 38 E HN 0.403 nan 8.360 nan 0.000 0.397 39 I N 2.773 123.354 120.570 0.019 0.000 2.499 39 I HA 0.228 4.398 4.170 0.000 0.000 0.288 39 I C -0.402 175.719 176.117 0.007 0.000 1.048 39 I CA -0.705 60.601 61.300 0.009 0.000 1.062 39 I CB 1.733 39.736 38.000 0.005 0.000 1.238 39 I HN 0.195 nan 8.210 nan 0.000 0.426 40 K N 4.710 125.113 120.400 0.004 0.000 2.297 40 K HA 0.377 4.697 4.320 0.000 0.000 0.286 40 K C 0.068 176.669 176.600 0.002 0.000 1.053 40 K CA -0.298 55.991 56.287 0.004 0.000 0.940 40 K CB 1.148 33.650 32.500 0.003 0.000 1.019 40 K HN 0.660 nan 8.250 nan 0.000 0.475 41 T N -0.321 114.235 114.554 0.003 0.000 2.937 41 T HA 0.296 4.646 4.350 0.000 0.000 0.283 41 T C -1.637 173.063 174.700 0.001 0.000 1.012 41 T CA -1.722 60.379 62.100 0.002 0.000 0.997 41 T CB 1.003 69.873 68.868 0.003 0.000 1.136 41 T HN 0.229 nan 8.240 nan 0.000 0.551 42 P HA -0.027 nan 4.420 nan 0.000 0.218 42 P C 1.094 178.395 177.300 0.001 0.000 1.148 42 P CA 1.070 64.170 63.100 0.000 0.000 0.822 42 P CB 0.158 31.858 31.700 -0.000 0.000 0.784 43 Q N -1.608 118.194 119.800 0.002 0.000 2.205 43 Q HA 0.278 4.618 4.340 0.000 0.000 0.193 43 Q C 1.895 177.897 176.000 0.003 0.000 0.995 43 Q CA 1.363 57.167 55.803 0.002 0.000 0.842 43 Q CB -0.991 27.748 28.738 0.003 0.000 0.941 43 Q HN 0.180 nan 8.270 nan 0.000 0.515 44 G N 0.309 109.111 108.800 0.004 0.000 2.560 44 G HA2 0.362 4.322 3.960 0.000 0.000 0.212 44 G HA3 0.362 4.322 3.960 0.000 0.000 0.212 44 G C -0.889 174.014 174.900 0.006 0.000 2.038 44 G CA -0.122 44.981 45.100 0.005 0.000 0.728 44 G HN 0.177 nan 8.290 nan 0.000 0.784 45 K N -0.725 119.679 120.400 0.008 0.000 2.557 45 K HA 0.581 4.901 4.320 0.000 0.000 0.261 45 K C -2.115 174.493 176.600 0.013 0.000 0.932 45 K CA -0.866 55.427 56.287 0.010 0.000 0.829 45 K CB 2.268 34.775 32.500 0.012 0.000 1.358 45 K HN 0.398 nan 8.250 nan 0.000 0.430 46 L N 2.497 123.728 121.223 0.013 0.000 2.272 46 L HA 0.456 4.796 4.340 0.000 0.000 0.289 46 L C -1.317 175.566 176.870 0.022 0.000 1.032 46 L CA -0.298 54.552 54.840 0.016 0.000 0.810 46 L CB 1.672 43.739 42.059 0.013 0.000 1.205 46 L HN 0.552 nan 8.230 nan 0.000 0.422 47 V N 6.267 126.196 119.914 0.026 0.000 2.547 47 V HA 0.522 4.643 4.120 0.000 0.000 0.299 47 V C 0.025 176.142 176.094 0.038 0.000 1.040 47 V CA -0.598 61.722 62.300 0.033 0.000 0.913 47 V CB 1.536 33.379 31.823 0.034 0.000 0.992 47 V HN 0.672 nan 8.190 nan 0.000 0.449 48 L N 3.349 124.599 121.223 0.045 0.000 2.365 48 L HA 0.644 4.984 4.340 0.000 0.000 0.273 48 L C -0.213 176.690 176.870 0.055 0.000 1.000 48 L CA -0.414 54.455 54.840 0.049 0.000 0.819 48 L CB 2.119 44.210 42.059 0.054 0.000 1.284 48 L HN 0.617 nan 8.230 nan 0.000 0.418 49 E N 1.780 122.012 120.200 0.053 0.000 2.151 49 E HA 0.384 4.734 4.350 0.000 0.000 0.275 49 E C -1.085 175.539 176.600 0.040 0.000 0.936 49 E CA -0.806 55.624 56.400 0.050 0.000 0.777 49 E CB 2.140 31.879 29.700 0.065 0.000 1.108 49 E HN 0.342 nan 8.360 nan 0.000 0.401 50 V N 3.790 123.722 119.914 0.031 0.000 2.599 50 V HA 0.062 4.182 4.120 0.000 0.000 0.300 50 V C 0.867 176.975 176.094 0.024 0.000 1.034 50 V CA 0.918 63.240 62.300 0.038 0.000 1.115 50 V CB 0.812 32.655 31.823 0.033 0.000 0.934 50 V HN 0.892 nan 8.190 nan 0.000 0.485 51 A N 4.155 127.001 122.820 0.043 0.000 2.011 51 A HA 0.347 4.667 4.320 0.000 0.000 0.204 51 A C 0.622 178.231 177.584 0.042 0.000 1.520 51 A CA 0.104 52.158 52.037 0.028 0.000 0.819 51 A CB 0.346 19.362 19.000 0.027 0.000 1.087 51 A HN 0.766 nan 8.150 nan 0.000 0.526 52 Q N -0.580 119.269 119.800 0.082 0.000 2.423 52 Q HA 0.439 4.779 4.340 0.000 0.000 0.278 52 Q C -1.634 174.501 176.000 0.224 0.000 1.097 52 Q CA -0.585 55.280 55.803 0.103 0.000 0.809 52 Q CB 1.876 30.652 28.738 0.063 0.000 1.391 52 Q HN 0.624 nan 8.270 nan 0.000 0.428 53 H N 1.947 121.017 119.070 0.000 0.000 2.690 53 H HA 0.183 4.739 4.556 0.000 0.000 0.289 53 H C 0.603 175.942 175.328 0.017 0.000 1.089 53 H CA -0.271 55.781 56.048 0.008 0.000 1.299 53 H CB 0.953 30.710 29.762 -0.007 0.000 1.405 53 H HN 0.475 nan 8.280 nan 0.000 0.463 54 L N 2.780 124.075 121.223 0.119 0.000 2.291 54 L HA 0.047 4.387 4.340 0.000 0.000 0.214 54 L C 1.092 178.007 176.870 0.074 0.000 1.120 54 L CA 0.738 55.627 54.840 0.081 0.000 0.799 54 L CB 0.019 42.116 42.059 0.064 0.000 0.925 54 L HN 0.881 nan 8.230 nan 0.000 0.446 55 G N -0.418 108.430 108.800 0.080 0.000 2.525 55 G HA2 -0.081 3.879 3.960 0.000 0.000 0.685 55 G HA3 -0.081 3.879 3.960 0.000 0.000 0.685 55 G C -0.198 174.740 174.900 0.063 0.000 1.285 55 G CA -0.684 44.456 45.100 0.067 0.000 0.849 55 G HN 0.225 nan 8.290 nan 0.000 0.653 56 E N 0.556 120.790 120.200 0.058 0.000 2.252 56 E HA -0.239 4.111 4.350 0.000 0.000 0.218 56 E C 0.746 177.396 176.600 0.083 0.000 1.253 56 E CA 0.697 57.139 56.400 0.070 0.000 0.705 56 E CB -1.041 28.708 29.700 0.081 0.000 1.172 56 E HN 1.114 nan 8.360 nan 0.000 0.369 57 N N -1.503 117.205 118.700 0.014 0.000 2.735 57 N HA -0.157 4.583 4.740 0.000 0.000 0.248 57 N C -0.900 174.597 175.510 -0.021 0.000 1.083 57 N CA 1.783 54.794 53.050 -0.064 0.000 0.703 57 N CB -1.299 37.100 38.487 -0.146 0.000 1.005 57 N HN 0.289 nan 8.380 nan 0.000 0.550 58 T N 0.176 114.761 114.554 0.052 0.000 2.809 58 T HA 0.519 4.869 4.350 0.000 0.000 0.284 58 T C 0.522 175.249 174.700 0.045 0.000 0.992 58 T CA -0.707 61.455 62.100 0.104 0.000 0.957 58 T CB 2.284 71.236 68.868 0.139 0.000 0.942 58 T HN 0.155 nan 8.240 nan 0.000 0.439 59 V N 2.001 121.956 119.914 0.069 0.000 2.472 59 V HA 0.690 4.810 4.120 0.000 0.000 0.290 59 V C 0.051 176.195 176.094 0.083 0.000 1.037 59 V CA -1.294 61.034 62.300 0.048 0.000 0.908 59 V CB 1.337 33.169 31.823 0.015 0.000 0.985 59 V HN 0.811 nan 8.190 nan 0.000 0.454 60 R N 3.007 123.555 120.500 0.080 0.000 2.254 60 R HA 0.664 5.004 4.340 0.000 0.000 0.318 60 R C -0.014 176.324 176.300 0.064 0.000 1.031 60 R CA 0.297 56.436 56.100 0.065 0.000 0.905 60 R CB 1.141 31.474 30.300 0.056 0.000 1.050 60 R HN 1.131 nan 8.270 nan 0.000 0.456 61 T N 2.386 116.974 114.554 0.056 0.000 2.907 61 T HA 0.517 4.867 4.350 0.000 0.000 0.292 61 T C 0.170 174.893 174.700 0.039 0.000 1.043 61 T CA -1.035 61.096 62.100 0.052 0.000 1.003 61 T CB 1.104 70.010 68.868 0.064 0.000 1.084 61 T HN 0.551 nan 8.240 nan 0.000 0.483 62 I N 0.468 121.060 120.570 0.036 0.000 2.359 62 I HA 0.782 4.952 4.170 0.000 0.000 0.294 62 I C 0.448 176.584 176.117 0.033 0.000 0.987 62 I CA -1.379 59.939 61.300 0.030 0.000 1.225 62 I CB 1.098 39.113 38.000 0.026 0.000 1.366 62 I HN 0.872 nan 8.210 nan 0.000 0.466 63 A N 6.708 129.544 122.820 0.027 0.000 2.332 63 A HA 0.540 4.860 4.320 0.000 0.000 0.258 63 A C 0.679 178.280 177.584 0.028 0.000 1.087 63 A CA -0.452 51.601 52.037 0.027 0.000 0.802 63 A CB 0.639 19.651 19.000 0.020 0.000 1.042 63 A HN 0.886 nan 8.150 nan 0.000 0.489 64 M N 0.306 119.924 119.600 0.029 0.000 2.333 64 M HA 0.248 4.728 4.480 0.000 0.000 0.257 64 M C -0.413 175.902 176.300 0.025 0.000 1.078 64 M CA 0.352 55.670 55.300 0.030 0.000 1.005 64 M CB -0.609 32.013 32.600 0.035 0.000 1.444 64 M HN 0.768 nan 8.290 nan 0.000 0.496 65 D N -0.866 119.546 120.400 0.020 0.000 2.643 65 D HA 0.492 5.132 4.640 0.000 0.000 0.283 65 D C -0.550 175.757 176.300 0.012 0.000 1.242 65 D CA -0.136 53.874 54.000 0.016 0.000 0.863 65 D CB 1.718 42.527 40.800 0.015 0.000 1.382 65 D HN 0.116 nan 8.370 nan 0.000 0.444 66 G N -0.700 108.105 108.800 0.009 0.000 2.432 66 G HA2 0.344 4.304 3.960 0.000 0.000 0.239 66 G HA3 0.344 4.304 3.960 0.000 0.000 0.239 66 G C 0.792 175.695 174.900 0.006 0.000 1.291 66 G CA 0.439 45.543 45.100 0.007 0.000 0.863 66 G HN 0.386 nan 8.290 nan 0.000 0.560 67 T N -0.781 113.777 114.554 0.005 0.000 3.223 67 T HA 0.163 4.513 4.350 0.000 0.000 0.259 67 T C 0.627 175.328 174.700 0.002 0.000 1.015 67 T CA -0.272 61.830 62.100 0.004 0.000 0.908 67 T CB -0.104 68.767 68.868 0.005 0.000 1.054 67 T HN 0.627 nan 8.240 nan 0.000 0.567 68 E N 1.177 121.378 120.200 0.001 0.000 2.376 68 E HA 0.355 4.705 4.350 0.000 0.000 0.266 68 E C 1.082 177.682 176.600 -0.001 0.000 1.009 68 E CA 0.423 56.823 56.400 -0.000 0.000 0.902 68 E CB 0.462 30.162 29.700 -0.000 0.000 0.972 68 E HN 0.455 nan 8.360 nan 0.000 0.439 69 G N 2.846 111.645 108.800 -0.002 0.000 2.194 69 G HA2 -0.263 3.697 3.960 0.000 0.000 0.236 69 G HA3 -0.263 3.697 3.960 0.000 0.000 0.236 69 G C 0.230 175.127 174.900 -0.004 0.000 0.987 69 G CA 0.044 45.142 45.100 -0.003 0.000 0.635 69 G HN 0.494 nan 8.290 nan 0.000 0.520 70 L N 1.317 122.538 121.223 -0.004 0.000 2.453 70 L HA 0.434 4.774 4.340 0.000 0.000 0.272 70 L C 0.671 177.535 176.870 -0.009 0.000 1.182 70 L CA -0.241 54.595 54.840 -0.006 0.000 0.858 70 L CB 1.155 43.212 42.059 -0.004 0.000 1.120 70 L HN 0.018 nan 8.230 nan 0.000 0.474 71 V N 4.273 124.180 119.914 -0.012 0.000 2.547 71 V HA 0.360 4.480 4.120 0.000 0.000 0.299 71 V C 0.217 176.299 176.094 -0.020 0.000 1.040 71 V CA -0.902 61.389 62.300 -0.015 0.000 0.913 71 V CB 1.787 33.601 31.823 -0.015 0.000 0.992 71 V HN 0.661 nan 8.190 nan 0.000 0.449 72 R N 2.490 122.977 120.500 -0.022 0.000 2.370 72 R HA 0.458 4.798 4.340 0.000 0.000 0.309 72 R C 1.139 177.419 176.300 -0.033 0.000 1.059 72 R CA 0.909 56.993 56.100 -0.028 0.000 0.981 72 R CB 0.322 30.605 30.300 -0.028 0.000 0.972 72 R HN 1.189 nan 8.270 nan 0.000 0.437 73 G N 1.975 110.751 108.800 -0.040 0.000 2.163 73 G HA2 -0.253 3.707 3.960 0.000 0.000 0.213 73 G HA3 -0.253 3.707 3.960 0.000 0.000 0.213 73 G C 0.025 174.901 174.900 -0.040 0.000 0.991 73 G CA -0.398 44.677 45.100 -0.043 0.000 0.653 73 G HN 0.584 nan 8.290 nan 0.000 0.518 74 E N 0.553 120.730 120.200 -0.038 0.000 2.366 74 E HA 0.402 4.752 4.350 0.000 0.000 0.266 74 E C 0.578 177.149 176.600 -0.049 0.000 1.051 74 E CA -0.566 55.813 56.400 -0.035 0.000 0.884 74 E CB 0.509 30.193 29.700 -0.026 0.000 1.006 74 E HN 0.286 nan 8.360 nan 0.000 0.417 75 K N 2.062 122.436 120.400 -0.043 0.000 2.326 75 K HA 0.188 4.508 4.320 0.000 0.000 0.275 75 K C -1.299 175.270 176.600 -0.052 0.000 1.018 75 K CA -0.283 55.973 56.287 -0.053 0.000 0.962 75 K CB 0.639 33.119 32.500 -0.035 0.000 0.953 75 K HN 0.191 nan 8.250 nan 0.000 0.475 76 V N 5.560 125.426 119.914 -0.079 0.000 2.623 76 V HA 0.285 4.405 4.120 0.000 0.000 0.304 76 V C -0.994 175.095 176.094 -0.009 0.000 1.054 76 V CA -1.025 61.243 62.300 -0.053 0.000 0.882 76 V CB 1.467 33.236 31.823 -0.090 0.000 1.002 76 V HN 0.699 nan 8.190 nan 0.000 0.424 77 L N 3.606 124.858 121.223 0.048 0.000 2.272 77 L HA 0.636 4.976 4.340 0.000 0.000 0.289 77 L C -0.115 176.838 176.870 0.137 0.000 1.032 77 L CA 0.020 54.912 54.840 0.086 0.000 0.810 77 L CB 1.335 43.425 42.059 0.052 0.000 1.205 77 L HN 0.776 nan 8.230 nan 0.000 0.422 78 D N 2.313 122.832 120.400 0.198 0.000 2.339 78 D HA 0.059 4.699 4.640 0.000 0.000 0.256 78 D C 1.142 177.480 176.300 0.062 0.000 1.214 78 D CA 0.415 54.492 54.000 0.128 0.000 0.877 78 D CB 1.332 42.171 40.800 0.065 0.000 1.111 78 D HN 0.714 nan 8.370 nan 0.000 0.478 79 T N 0.997 115.577 114.554 0.043 0.000 3.023 79 T HA 0.216 4.566 4.350 0.000 0.000 0.266 79 T C 1.574 176.283 174.700 0.014 0.000 1.093 79 T CA 0.557 62.674 62.100 0.029 0.000 1.129 79 T CB 0.014 68.898 68.868 0.028 0.000 0.899 79 T HN 0.683 nan 8.240 nan 0.000 0.491 80 G N -0.043 108.759 108.800 0.003 0.000 2.253 80 G HA2 0.188 4.148 3.960 0.000 0.000 0.209 80 G HA3 0.188 4.148 3.960 0.000 0.000 0.209 80 G C 0.342 175.237 174.900 -0.008 0.000 0.997 80 G CA -0.380 44.716 45.100 -0.007 0.000 0.640 80 G HN 1.245 nan 8.290 nan 0.000 0.496 81 G N -0.542 108.259 108.800 0.002 0.000 2.645 81 G HA2 0.771 4.731 3.960 0.000 0.000 0.292 81 G HA3 0.771 4.731 3.960 0.000 0.000 0.292 81 G C -3.119 171.796 174.900 0.024 0.000 1.415 81 G CA -0.162 44.943 45.100 0.008 0.000 0.785 81 G HN 0.252 nan 8.290 nan 0.000 0.483 82 P HA 0.164 nan 4.420 nan 0.000 0.271 82 P C 0.280 177.632 177.300 0.087 0.000 1.238 82 P CA -0.128 63.028 63.100 0.093 0.000 0.794 82 P CB 0.693 32.500 31.700 0.177 0.000 0.959 83 I N 0.430 121.065 120.570 0.108 0.000 2.845 83 I HA -0.092 4.078 4.170 0.000 0.000 0.290 83 I C 1.292 177.432 176.117 0.037 0.000 1.202 83 I CA 0.726 62.064 61.300 0.064 0.000 1.406 83 I CB -0.532 37.505 38.000 0.062 0.000 1.383 83 I HN 0.311 nan 8.210 nan 0.000 0.549 84 S N 6.784 122.495 115.700 0.018 0.000 2.578 84 S HA 0.778 5.248 4.470 0.000 0.000 0.283 84 S C -0.373 174.215 174.600 -0.019 0.000 1.195 84 S CA -0.768 57.431 58.200 -0.002 0.000 1.050 84 S CB 2.013 65.210 63.200 -0.005 0.000 1.012 84 S HN 0.503 nan 8.310 nan 0.000 0.511 85 V N -1.593 118.299 119.914 -0.038 0.000 2.876 85 V HA 0.769 4.889 4.120 0.000 0.000 0.312 85 V C -2.970 173.073 176.094 -0.084 0.000 1.085 85 V CA -2.906 59.364 62.300 -0.051 0.000 0.945 85 V CB 1.482 33.278 31.823 -0.046 0.000 1.017 85 V HN 0.806 nan 8.190 nan 0.000 0.428 86 P HA 0.292 nan 4.420 nan 0.000 0.268 86 P C -0.398 176.792 177.300 -0.183 0.000 1.205 86 P CA 0.241 63.264 63.100 -0.129 0.000 0.771 86 P CB 1.246 32.889 31.700 -0.094 0.000 0.858 87 V N -1.631 118.099 119.914 -0.307 0.000 3.141 87 V HA 0.961 5.081 4.120 0.000 0.000 0.312 87 V C 0.235 175.980 176.094 -0.581 0.000 1.157 87 V CA -0.170 61.840 62.300 -0.484 0.000 1.041 87 V CB 1.058 32.430 31.823 -0.752 0.000 1.071 87 V HN 1.015 nan 8.190 nan 0.000 0.441 88 G N 1.470 109.856 108.800 -0.691 0.000 2.627 88 G HA2 -0.156 3.804 3.960 0.000 0.000 0.214 88 G HA3 -0.156 3.804 3.960 0.000 0.000 0.214 88 G C 0.149 174.996 174.900 -0.089 0.000 1.331 88 G CA 0.309 45.112 45.100 -0.494 0.000 0.891 88 G HN 0.983 nan 8.290 nan 0.000 0.539 89 R N 0.192 120.738 120.500 0.077 0.000 2.189 89 R HA 0.013 4.353 4.340 0.000 0.000 0.223 89 R C 1.947 178.251 176.300 0.007 0.000 1.092 89 R CA 1.375 57.541 56.100 0.110 0.000 0.989 89 R CB -0.098 30.259 30.300 0.094 0.000 0.876 89 R HN 0.487 nan 8.270 nan 0.000 0.457 90 E N -0.176 120.015 120.200 -0.015 0.000 2.511 90 E HA -0.073 4.277 4.350 0.000 0.000 0.196 90 E C 1.484 178.069 176.600 -0.026 0.000 1.066 90 E CA 1.122 57.505 56.400 -0.027 0.000 0.871 90 E CB 0.259 29.938 29.700 -0.036 0.000 0.863 90 E HN 0.425 nan 8.360 nan 0.000 0.520 91 T N -2.328 112.219 114.554 -0.012 0.000 3.065 91 T HA 0.148 4.498 4.350 0.000 0.000 0.252 91 T C 1.067 175.770 174.700 0.005 0.000 1.099 91 T CA -0.183 61.916 62.100 -0.001 0.000 1.063 91 T CB -0.031 68.842 68.868 0.008 0.000 0.948 91 T HN -0.067 nan 8.240 nan 0.000 0.506 92 L N 1.883 123.092 121.223 -0.023 0.000 2.410 92 L HA 0.508 4.848 4.340 0.000 0.000 0.273 92 L C 1.601 178.445 176.870 -0.043 0.000 1.152 92 L CA 0.572 55.361 54.840 -0.085 0.000 0.855 92 L CB 0.295 42.201 42.059 -0.254 0.000 1.129 92 L HN 0.503 nan 8.230 nan 0.000 0.463 93 G N 1.936 110.732 108.800 -0.008 0.000 2.148 93 G HA2 -0.214 3.746 3.960 0.000 0.000 0.254 93 G HA3 -0.214 3.746 3.960 0.000 0.000 0.254 93 G C 0.257 175.207 174.900 0.084 0.000 0.981 93 G CA -0.287 44.842 45.100 0.049 0.000 0.670 93 G HN 0.492 nan 8.290 nan 0.000 0.528 94 R N -0.453 120.068 120.500 0.035 0.000 2.832 94 R HA 0.749 5.089 4.340 0.000 0.000 0.271 94 R C 0.129 176.405 176.300 -0.040 0.000 0.996 94 R CA -0.990 55.114 56.100 0.007 0.000 0.977 94 R CB 1.159 31.455 30.300 -0.006 0.000 1.168 94 R HN 0.273 nan 8.270 nan 0.000 0.482 95 I N 2.534 123.049 120.570 -0.092 0.000 2.378 95 I HA 0.459 4.629 4.170 0.000 0.000 0.291 95 I C -0.010 176.079 176.117 -0.047 0.000 0.992 95 I CA -0.608 60.631 61.300 -0.101 0.000 1.154 95 I CB 1.214 39.121 38.000 -0.154 0.000 1.315 95 I HN 0.283 nan 8.210 nan 0.000 0.448 96 I N 5.234 125.781 120.570 -0.038 0.000 2.646 96 I HA 0.370 4.540 4.170 0.000 0.000 0.299 96 I C -0.308 175.818 176.117 0.015 0.000 1.036 96 I CA -0.690 60.600 61.300 -0.016 0.000 1.074 96 I CB 2.005 39.988 38.000 -0.028 0.000 1.258 96 I HN 0.644 nan 8.210 nan 0.000 0.430 97 N N 3.355 122.071 118.700 0.028 0.000 2.491 97 N HA 0.209 4.949 4.740 0.000 0.000 0.279 97 N C 0.741 176.270 175.510 0.032 0.000 1.236 97 N CA -0.800 52.281 53.050 0.051 0.000 0.982 97 N CB 0.440 38.958 38.487 0.052 0.000 1.194 97 N HN 0.409 nan 8.380 nan 0.000 0.582 98 V N 0.011 119.951 119.914 0.043 0.000 2.277 98 V HA -0.256 3.864 4.120 0.000 0.000 0.253 98 V C 1.495 177.601 176.094 0.019 0.000 1.067 98 V CA 2.523 64.842 62.300 0.032 0.000 1.047 98 V CB -0.836 31.012 31.823 0.042 0.000 0.649 98 V HN 0.702 nan 8.190 nan 0.000 0.447 99 I N -1.629 118.953 120.570 0.020 0.000 3.855 99 I HA 0.563 4.733 4.170 0.000 0.000 0.327 99 I C 1.093 177.213 176.117 0.005 0.000 1.359 99 I CA 0.425 61.734 61.300 0.015 0.000 1.142 99 I CB -0.455 37.557 38.000 0.021 0.000 1.041 99 I HN 0.419 nan 8.210 nan 0.000 0.403 100 G N 1.240 110.039 108.800 -0.002 0.000 2.256 100 G HA2 -0.238 3.722 3.960 0.000 0.000 0.272 100 G HA3 -0.238 3.722 3.960 0.000 0.000 0.272 100 G C -0.350 174.543 174.900 -0.012 0.000 1.076 100 G CA -0.067 45.025 45.100 -0.013 0.000 0.882 100 G HN 0.676 nan 8.290 nan 0.000 0.497 101 E N 0.575 120.773 120.200 -0.004 0.000 2.212 101 E HA 0.467 4.817 4.350 0.000 0.000 0.268 101 E C -2.450 174.147 176.600 -0.005 0.000 0.902 101 E CA -2.275 54.123 56.400 -0.004 0.000 0.779 101 E CB 2.481 32.182 29.700 0.003 0.000 1.172 101 E HN 0.153 nan 8.360 nan 0.000 0.409 102 P HA 0.078 nan 4.420 nan 0.000 0.276 102 P C 0.077 177.371 177.300 -0.010 0.000 1.230 102 P CA 0.216 63.308 63.100 -0.013 0.000 0.776 102 P CB 0.404 32.095 31.700 -0.014 0.000 0.888 103 I N -0.729 119.832 120.570 -0.015 0.000 3.833 103 I HA 0.269 4.439 4.170 0.000 0.000 0.328 103 I C 0.150 176.240 176.117 -0.045 0.000 1.554 103 I CA -0.267 61.024 61.300 -0.014 0.000 1.116 103 I CB 0.042 38.050 38.000 0.013 0.000 1.182 103 I HN 0.016 nan 8.210 nan 0.000 0.459 104 D N 0.338 120.701 120.400 -0.061 0.000 2.398 104 D HA 0.013 4.653 4.640 0.000 0.000 0.210 104 D C 0.365 176.657 176.300 -0.013 0.000 1.094 104 D CA -0.121 53.830 54.000 -0.083 0.000 0.839 104 D CB -0.206 40.504 40.800 -0.150 0.000 0.963 104 D HN 0.464 nan 8.370 nan 0.000 0.506 105 E N 0.167 120.364 120.200 -0.006 0.000 2.360 105 E HA -0.254 4.096 4.350 0.000 0.000 0.238 105 E C 0.370 176.981 176.600 0.018 0.000 1.186 105 E CA 0.225 56.630 56.400 0.008 0.000 0.719 105 E CB -0.990 28.717 29.700 0.011 0.000 1.236 105 E HN 0.477 nan 8.360 nan 0.000 0.386 106 R N -0.399 120.112 120.500 0.018 0.000 2.365 106 R HA 0.292 4.632 4.340 0.000 0.000 0.223 106 R C 1.023 177.332 176.300 0.015 0.000 0.899 106 R CA 0.505 56.621 56.100 0.026 0.000 1.059 106 R CB 1.379 31.703 30.300 0.040 0.000 1.086 106 R HN 0.298 nan 8.270 nan 0.000 0.522 107 G N 1.751 110.555 108.800 0.008 0.000 2.302 107 G HA2 -0.078 3.882 3.960 0.000 0.000 0.276 107 G HA3 -0.078 3.882 3.960 0.000 0.000 0.276 107 G C -2.922 171.977 174.900 -0.001 0.000 1.316 107 G CA -1.061 44.041 45.100 0.004 0.000 0.988 107 G HN -0.058 nan 8.290 nan 0.000 0.479 108 P HA 0.670 nan 4.420 nan 0.000 0.279 108 P C -0.566 176.727 177.300 -0.012 0.000 1.276 108 P CA -0.587 62.508 63.100 -0.009 0.000 0.801 108 P CB 1.029 32.724 31.700 -0.009 0.000 1.127 109 I N 0.804 121.363 120.570 -0.019 0.000 2.330 109 I HA 0.235 4.405 4.170 0.000 0.000 0.286 109 I C 0.935 177.033 176.117 -0.032 0.000 1.025 109 I CA -0.430 60.854 61.300 -0.026 0.000 1.197 109 I CB 0.739 38.719 38.000 -0.033 0.000 1.358 109 I HN 0.063 nan 8.210 nan 0.000 0.467 110 K N 4.367 124.750 120.400 -0.028 0.000 2.449 110 K HA 0.132 4.452 4.320 0.000 0.000 0.237 110 K C 0.284 176.858 176.600 -0.043 0.000 1.265 110 K CA -0.072 56.197 56.287 -0.030 0.000 1.193 110 K CB 0.202 32.690 32.500 -0.020 0.000 1.515 110 K HN 0.542 nan 8.250 nan 0.000 0.259 111 S N 0.804 116.467 115.700 -0.062 0.000 2.562 111 S HA 0.118 4.588 4.470 0.000 0.000 0.275 111 S C 1.048 175.596 174.600 -0.086 0.000 1.281 111 S CA -0.471 57.673 58.200 -0.094 0.000 1.045 111 S CB 1.231 64.353 63.200 -0.131 0.000 0.962 111 S HN 0.472 nan 8.310 nan 0.000 0.503 112 K N 2.871 123.214 120.400 -0.094 0.000 2.314 112 K HA 0.278 4.598 4.320 0.000 0.000 0.198 112 K C -0.017 176.533 176.600 -0.084 0.000 1.045 112 K CA 0.396 56.642 56.287 -0.068 0.000 0.988 112 K CB 0.112 32.586 32.500 -0.043 0.000 0.783 112 K HN 0.606 nan 8.250 nan 0.000 0.484 113 L N 0.393 121.529 121.223 -0.145 0.000 2.333 113 L HA 0.438 4.778 4.340 0.000 0.000 0.263 113 L C -0.893 175.874 176.870 -0.171 0.000 1.014 113 L CA -0.939 53.809 54.840 -0.154 0.000 0.820 113 L CB 2.179 44.114 42.059 -0.208 0.000 1.352 113 L HN -0.140 nan 8.230 nan 0.000 0.421 114 R N 2.345 122.775 120.500 -0.117 0.000 2.502 114 R HA 0.444 4.784 4.340 0.000 0.000 0.300 114 R C -1.387 174.871 176.300 -0.071 0.000 0.984 114 R CA -0.947 55.092 56.100 -0.102 0.000 0.882 114 R CB 1.926 32.187 30.300 -0.065 0.000 1.180 114 R HN 0.303 nan 8.270 nan 0.000 0.444 115 K N 3.737 124.092 120.400 -0.074 0.000 2.221 115 K HA 0.407 4.727 4.320 0.000 0.000 0.258 115 K C -2.469 174.120 176.600 -0.019 0.000 0.944 115 K CA -2.193 54.077 56.287 -0.029 0.000 0.823 115 K CB 2.002 34.498 32.500 -0.007 0.000 1.113 115 K HN 0.330 nan 8.250 nan 0.000 0.431 116 P HA 0.084 nan 4.420 nan 0.000 0.269 116 P C 0.951 178.247 177.300 -0.005 0.000 1.209 116 P CA -0.131 62.979 63.100 0.017 0.000 0.776 116 P CB 0.420 32.149 31.700 0.048 0.000 0.876 117 I N -1.477 119.071 120.570 -0.036 0.000 3.111 117 I HA 0.040 4.210 4.170 0.000 0.000 0.272 117 I C 0.478 176.424 176.117 -0.285 0.000 1.268 117 I CA 0.614 61.823 61.300 -0.152 0.000 1.467 117 I CB -0.674 37.209 38.000 -0.194 0.000 1.087 117 I HN 0.220 nan 8.210 nan 0.000 0.467 118 H N 2.821 121.896 119.070 0.007 0.000 2.556 118 H HA 0.769 5.325 4.556 0.000 0.000 0.310 118 H C -0.601 174.730 175.328 0.004 0.000 1.057 118 H CA -0.324 55.729 56.048 0.008 0.000 1.264 118 H CB 1.553 31.322 29.762 0.012 0.000 1.404 118 H HN 0.386 nan 8.280 nan 0.000 0.462 119 A N 3.578 126.449 122.820 0.085 0.000 2.520 119 A HA 0.247 4.567 4.320 0.000 0.000 0.298 119 A C -0.802 176.806 177.584 0.041 0.000 1.051 119 A CA -0.954 51.114 52.037 0.051 0.000 0.690 119 A CB 1.426 20.440 19.000 0.024 0.000 1.281 119 A HN 0.521 nan 8.150 nan 0.000 0.402 120 D N 3.386 123.807 120.400 0.035 0.000 2.455 120 D HA 0.317 4.957 4.640 0.000 0.000 0.241 120 D C -1.837 174.474 176.300 0.017 0.000 1.138 120 D CA -0.090 53.927 54.000 0.028 0.000 0.877 120 D CB 0.669 41.483 40.800 0.024 0.000 1.187 120 D HN 0.325 nan 8.370 nan 0.000 0.451 121 P HA 0.156 nan 4.420 nan 0.000 0.269 121 P C -2.503 174.805 177.300 0.013 0.000 1.215 121 P CA -1.033 62.072 63.100 0.008 0.000 0.780 121 P CB -0.439 31.267 31.700 0.011 0.000 0.898 122 P HA -0.017 nan 4.420 nan 0.000 0.265 122 P C 0.480 177.794 177.300 0.024 0.000 1.187 122 P CA 0.324 63.426 63.100 0.004 0.000 0.766 122 P CB 0.181 31.872 31.700 -0.014 0.000 0.820 123 S N 2.737 118.456 115.700 0.031 0.000 2.569 123 S HA -0.019 4.451 4.470 0.000 0.000 0.274 123 S C 1.029 175.682 174.600 0.089 0.000 1.353 123 S CA -0.345 57.896 58.200 0.068 0.000 1.023 123 S CB -0.197 63.039 63.200 0.059 0.000 0.876 123 S HN 0.421 nan 8.310 nan 0.000 0.540 124 F N 3.146 123.095 119.950 -0.003 0.000 2.161 124 F HA -0.014 4.513 4.527 0.000 0.000 0.300 124 F C 2.268 178.065 175.800 -0.005 0.000 1.089 124 F CA 1.876 59.874 58.000 -0.003 0.000 1.282 124 F CB -0.756 38.242 39.000 -0.002 0.000 1.010 124 F HN 0.720 nan 8.300 nan 0.000 0.485 125 A N -0.324 122.542 122.820 0.076 0.000 2.121 125 A HA -0.120 4.200 4.320 0.000 0.000 0.218 125 A C 1.950 179.484 177.584 -0.084 0.000 1.154 125 A CA 1.543 53.570 52.037 -0.017 0.000 0.679 125 A CB -0.656 18.381 19.000 0.061 0.000 0.795 125 A HN 0.594 nan 8.150 nan 0.000 0.458 126 E N -0.144 120.014 120.200 -0.071 0.000 2.400 126 E HA -0.003 4.347 4.350 0.000 0.000 0.195 126 E C -0.031 176.506 176.600 -0.104 0.000 1.012 126 E CA -0.138 56.221 56.400 -0.069 0.000 0.875 126 E CB 0.095 29.773 29.700 -0.037 0.000 0.859 126 E HN 0.541 nan 8.360 nan 0.000 0.498 127 Q N 1.367 121.069 119.800 -0.164 0.000 2.297 127 Q HA 0.107 4.447 4.340 0.000 0.000 0.267 127 Q C -0.130 175.755 176.000 -0.192 0.000 1.006 127 Q CA 0.083 55.777 55.803 -0.180 0.000 0.896 127 Q CB 1.467 30.060 28.738 -0.242 0.000 1.186 127 Q HN -0.039 nan 8.270 nan 0.000 0.392 128 S N 1.336 116.958 115.700 -0.131 0.000 2.560 128 S HA 0.019 4.489 4.470 0.000 0.000 0.284 128 S C 1.221 175.747 174.600 -0.124 0.000 1.327 128 S CA 0.067 58.199 58.200 -0.112 0.000 1.055 128 S CB 0.447 63.598 63.200 -0.082 0.000 0.868 128 S HN 0.668 nan 8.310 nan 0.000 0.506 129 T N 1.479 115.966 114.554 -0.112 0.000 3.043 129 T HA 0.148 4.498 4.350 0.000 0.000 0.263 129 T C 0.459 175.117 174.700 -0.069 0.000 1.094 129 T CA 0.080 62.118 62.100 -0.103 0.000 1.127 129 T CB 0.038 68.853 68.868 -0.088 0.000 0.905 129 T HN 0.340 nan 8.240 nan 0.000 0.490 130 S N 1.328 116.993 115.700 -0.059 0.000 2.659 130 S HA 0.724 5.194 4.470 0.000 0.000 0.312 130 S C -0.048 174.525 174.600 -0.044 0.000 1.114 130 S CA -1.015 57.158 58.200 -0.045 0.000 1.063 130 S CB 1.338 64.515 63.200 -0.037 0.000 0.996 130 S HN 0.677 nan 8.310 nan 0.000 0.478 131 A N 3.622 126.419 122.820 -0.039 0.000 2.498 131 A HA 0.483 4.803 4.320 0.000 0.000 0.239 131 A C 0.476 178.040 177.584 -0.033 0.000 1.068 131 A CA -0.071 51.945 52.037 -0.035 0.000 0.766 131 A CB 0.128 19.111 19.000 -0.028 0.000 1.003 131 A HN 0.813 nan 8.150 nan 0.000 0.497 132 E N 1.902 122.081 120.200 -0.035 0.000 2.429 132 E HA 0.518 4.868 4.350 0.000 0.000 0.276 132 E C -1.267 175.316 176.600 -0.029 0.000 0.953 132 E CA -0.980 55.400 56.400 -0.034 0.000 0.787 132 E CB 0.840 30.516 29.700 -0.040 0.000 1.307 132 E HN 0.338 nan 8.360 nan 0.000 0.458 133 I N 1.741 122.297 120.570 -0.025 0.000 2.529 133 I HA 0.104 4.274 4.170 0.000 0.000 0.284 133 I C 0.182 176.283 176.117 -0.027 0.000 1.082 133 I CA -0.649 60.646 61.300 -0.007 0.000 1.406 133 I CB 0.383 38.384 38.000 0.001 0.000 1.405 133 I HN 0.509 nan 8.210 nan 0.000 0.548 134 L N 6.936 128.161 121.223 0.003 0.000 2.261 134 L HA 0.248 4.588 4.340 0.000 0.000 0.289 134 L C 0.496 177.382 176.870 0.027 0.000 1.059 134 L CA 0.016 54.838 54.840 -0.030 0.000 0.816 134 L CB 0.221 42.291 42.059 0.018 0.000 1.191 134 L HN 0.567 nan 8.230 nan 0.000 0.431 135 E N 2.051 122.268 120.200 0.029 0.000 2.376 135 E HA 0.029 4.379 4.350 0.000 0.000 0.266 135 E C 0.550 177.264 176.600 0.189 0.000 1.009 135 E CA 0.590 57.073 56.400 0.139 0.000 0.902 135 E CB 0.837 30.667 29.700 0.217 0.000 0.972 135 E HN 0.823 nan 8.360 nan 0.000 0.439 136 T N 0.801 115.361 114.554 0.010 0.000 3.042 136 T HA 0.264 4.614 4.350 0.000 0.000 0.245 136 T C 1.389 176.025 174.700 -0.107 0.000 1.029 136 T CA 0.551 62.598 62.100 -0.087 0.000 1.120 136 T CB 0.320 69.016 68.868 -0.286 0.000 0.917 136 T HN 0.708 nan 8.240 nan 0.000 0.467 137 G N 1.584 110.338 108.800 -0.075 0.000 2.194 137 G HA2 -0.147 3.813 3.960 0.000 0.000 0.236 137 G HA3 -0.147 3.813 3.960 0.000 0.000 0.236 137 G C -0.017 174.857 174.900 -0.042 0.000 0.987 137 G CA -0.041 45.014 45.100 -0.073 0.000 0.635 137 G HN 0.677 nan 8.290 nan 0.000 0.520 138 I N 1.072 121.614 120.570 -0.046 0.000 2.321 138 I HA 0.319 4.489 4.170 0.000 0.000 0.291 138 I C 1.514 177.656 176.117 0.040 0.000 0.998 138 I CA -0.796 60.537 61.300 0.055 0.000 1.227 138 I CB 1.463 39.537 38.000 0.122 0.000 1.368 138 I HN -0.052 nan 8.210 nan 0.000 0.466 139 K N 3.550 123.979 120.400 0.048 0.000 2.063 139 K HA -0.139 4.181 4.320 0.000 0.000 0.208 139 K C 1.776 178.359 176.600 -0.028 0.000 1.048 139 K CA 1.363 57.651 56.287 0.002 0.000 0.928 139 K CB -0.121 32.384 32.500 0.009 0.000 0.713 139 K HN 0.607 nan 8.250 nan 0.000 0.442 140 V N 0.391 120.324 119.914 0.031 0.000 2.392 140 V HA -0.213 3.907 4.120 0.000 0.000 0.249 140 V C 2.217 178.321 176.094 0.017 0.000 1.059 140 V CA 1.505 63.816 62.300 0.018 0.000 1.051 140 V CB -0.727 31.151 31.823 0.093 0.000 0.658 140 V HN 0.040 nan 8.190 nan 0.000 0.455 141 V N 0.190 120.129 119.914 0.041 0.000 2.283 141 V HA -0.129 3.991 4.120 0.000 0.000 0.239 141 V C 2.338 178.424 176.094 -0.013 0.000 1.035 141 V CA 1.947 64.250 62.300 0.005 0.000 1.018 141 V CB -0.718 31.036 31.823 -0.115 0.000 0.658 141 V HN 0.414 nan 8.190 nan 0.000 0.459 142 D N -0.062 120.320 120.400 -0.030 0.000 2.280 142 D HA -0.167 4.473 4.640 0.000 0.000 0.206 142 D C 1.717 178.104 176.300 0.145 0.000 0.988 142 D CA 1.312 55.333 54.000 0.034 0.000 0.886 142 D CB -0.006 40.808 40.800 0.023 0.000 0.914 142 D HN 0.340 nan 8.370 nan 0.000 0.473 143 L N -0.582 120.668 121.223 0.045 0.000 2.276 143 L HA 0.118 4.458 4.340 0.000 0.000 0.194 143 L C 1.952 178.888 176.870 0.110 0.000 1.099 143 L CA 0.980 55.840 54.840 0.034 0.000 0.800 143 L CB -0.340 41.559 42.059 -0.267 0.000 0.994 143 L HN -0.081 nan 8.230 nan 0.000 0.475 144 L N -0.289 120.927 121.223 -0.013 0.000 2.307 144 L HA 0.247 4.587 4.340 0.000 0.000 0.211 144 L C 0.656 177.546 176.870 0.034 0.000 1.099 144 L CA 0.654 55.485 54.840 -0.014 0.000 0.816 144 L CB -0.318 41.706 42.059 -0.059 0.000 0.952 144 L HN 0.358 nan 8.230 nan 0.000 0.455 145 A N 0.531 123.389 122.820 0.064 0.000 3.300 145 A HA 0.447 4.767 4.320 0.000 0.000 0.300 145 A C -2.620 175.056 177.584 0.153 0.000 1.099 145 A CA -0.913 51.187 52.037 0.105 0.000 0.846 145 A CB -0.062 19.014 19.000 0.128 0.000 1.255 145 A HN -0.149 nan 8.150 nan 0.000 0.519 146 P HA 0.156 nan 4.420 nan 0.000 0.271 146 P C -0.808 176.642 177.300 0.250 0.000 1.218 146 P CA 0.237 63.406 63.100 0.115 0.000 0.780 146 P CB 0.543 32.266 31.700 0.038 0.000 0.901 147 Y N 0.635 120.953 120.300 0.032 0.000 2.346 147 Y HA 0.298 4.848 4.550 0.000 0.000 0.330 147 Y C 1.153 177.046 175.900 -0.012 0.000 1.178 147 Y CA -1.346 56.763 58.100 0.016 0.000 1.331 147 Y CB 0.016 38.487 38.460 0.018 0.000 1.253 147 Y HN 0.377 nan 8.280 nan 0.000 0.529 148 A N 5.329 128.205 122.820 0.093 0.000 2.310 148 A HA 0.308 4.628 4.320 0.000 0.000 0.300 148 A C 0.573 178.153 177.584 -0.006 0.000 1.269 148 A CA -0.739 51.310 52.037 0.020 0.000 0.909 148 A CB -0.226 18.765 19.000 -0.014 0.000 1.144 148 A HN 0.813 nan 8.150 nan 0.000 0.540 149 R N 2.348 122.841 120.500 -0.011 0.000 2.473 149 R HA 0.262 4.602 4.340 0.000 0.000 0.315 149 R C 1.343 177.611 176.300 -0.053 0.000 0.972 149 R CA 1.593 57.669 56.100 -0.040 0.000 1.047 149 R CB -0.167 30.096 30.300 -0.062 0.000 0.932 149 R HN 1.573 nan 8.270 nan 0.000 0.411 150 G N 2.426 111.189 108.800 -0.063 0.000 2.199 150 G HA2 -0.264 3.696 3.960 0.000 0.000 0.254 150 G HA3 -0.264 3.696 3.960 0.000 0.000 0.254 150 G C 0.382 175.238 174.900 -0.072 0.000 0.982 150 G CA -0.013 45.047 45.100 -0.067 0.000 0.632 150 G HN 0.917 nan 8.290 nan 0.000 0.529 151 G N -0.572 108.182 108.800 -0.076 0.000 2.510 151 G HA2 0.637 4.597 3.960 0.000 0.000 0.280 151 G HA3 0.637 4.597 3.960 0.000 0.000 0.280 151 G C -0.395 174.429 174.900 -0.127 0.000 1.386 151 G CA -0.286 44.765 45.100 -0.082 0.000 1.047 151 G HN 0.443 nan 8.290 nan 0.000 0.527 152 K N -0.916 119.406 120.400 -0.131 0.000 2.397 152 K HA 0.594 4.914 4.320 0.000 0.000 0.253 152 K C -1.160 175.315 176.600 -0.207 0.000 0.932 152 K CA -0.272 55.913 56.287 -0.170 0.000 0.795 152 K CB 2.271 34.698 32.500 -0.122 0.000 1.159 152 K HN 0.238 nan 8.250 nan 0.000 0.424 153 I N 1.191 121.593 120.570 -0.279 0.000 2.433 153 I HA 0.408 4.578 4.170 0.000 0.000 0.292 153 I C 0.419 176.413 176.117 -0.204 0.000 1.001 153 I CA -0.455 60.664 61.300 -0.302 0.000 1.119 153 I CB 2.221 39.855 38.000 -0.611 0.000 1.289 153 I HN 0.659 nan 8.210 nan 0.000 0.438 154 G N 5.857 114.579 108.800 -0.129 0.000 2.333 154 G HA2 0.513 4.473 3.960 0.000 0.000 0.290 154 G HA3 0.513 4.473 3.960 0.000 0.000 0.290 154 G C -1.032 173.840 174.900 -0.046 0.000 1.150 154 G CA -0.285 44.734 45.100 -0.136 0.000 0.895 154 G HN 0.412 nan 8.290 nan 0.000 0.444 155 L N 3.246 124.329 121.223 -0.233 0.000 2.265 155 L HA 0.674 5.014 4.340 0.000 0.000 0.289 155 L C -1.225 175.479 176.870 -0.277 0.000 1.033 155 L CA -0.856 53.936 54.840 -0.079 0.000 0.814 155 L CB 0.561 42.642 42.059 0.037 0.000 1.203 155 L HN 0.361 nan 8.230 nan 0.000 0.423 156 F N 3.429 123.396 119.950 0.028 0.000 2.482 156 F HA 0.816 5.343 4.527 0.000 0.000 0.331 156 F C 0.704 176.524 175.800 0.034 0.000 1.115 156 F CA -0.551 57.474 58.000 0.043 0.000 0.955 156 F CB 2.160 41.185 39.000 0.042 0.000 1.136 156 F HN 0.595 nan 8.300 nan 0.000 0.452 157 G N 1.234 110.153 108.800 0.199 0.000 2.957 157 G HA2 0.385 4.345 3.960 0.000 0.000 0.636 157 G HA3 0.385 4.345 3.960 0.000 0.000 0.636 157 G C -0.212 174.758 174.900 0.116 0.000 1.401 157 G CA -0.540 44.642 45.100 0.136 0.000 0.941 157 G HN 1.049 nan 8.290 nan 0.000 0.610 158 G N 0.605 109.474 108.800 0.114 0.000 3.142 158 G HA2 0.824 4.784 3.960 0.000 0.000 0.178 158 G HA3 0.824 4.784 3.960 0.000 0.000 0.178 158 G C 0.865 175.819 174.900 0.090 0.000 1.941 158 G CA 0.932 46.095 45.100 0.105 0.000 0.902 158 G HN 2.026 nan 8.290 nan 0.000 0.517 159 A N -2.118 120.748 122.820 0.077 0.000 2.294 159 A HA 0.628 4.948 4.320 0.000 0.000 0.330 159 A C 0.948 178.571 177.584 0.065 0.000 1.133 159 A CA 0.477 52.554 52.037 0.066 0.000 0.836 159 A CB 0.551 19.582 19.000 0.051 0.000 1.190 159 A HN 2.320 nan 8.150 nan 0.000 0.492 160 G N -0.859 107.979 108.800 0.064 0.000 2.256 160 G HA2 0.024 3.984 3.960 0.000 0.000 0.272 160 G HA3 0.024 3.984 3.960 0.000 0.000 0.272 160 G C 0.309 175.261 174.900 0.087 0.000 1.076 160 G CA 0.895 46.036 45.100 0.069 0.000 0.882 160 G HN 2.109 nan 8.290 nan 0.000 0.497 161 V N -4.652 115.324 119.914 0.103 0.000 3.356 161 V HA 0.664 4.784 4.120 0.000 0.000 0.274 161 V C 1.697 177.891 176.094 0.167 0.000 1.631 161 V CA 0.958 63.325 62.300 0.112 0.000 1.025 161 V CB 0.097 31.966 31.823 0.076 0.000 0.840 161 V HN 2.220 nan 8.190 nan 0.000 0.419 162 G N 1.930 110.829 108.800 0.166 0.000 2.204 162 G HA2 -0.300 3.660 3.960 0.000 0.000 0.244 162 G HA3 -0.300 3.660 3.960 0.000 0.000 0.244 162 G C 0.682 175.724 174.900 0.236 0.000 1.062 162 G CA 0.782 46.002 45.100 0.199 0.000 0.798 162 G HN 0.597 nan 8.290 nan 0.000 0.496 163 K N -0.242 120.267 120.400 0.181 0.000 2.057 163 K HA -0.129 4.191 4.320 0.000 0.000 0.207 163 K C 2.858 179.605 176.600 0.245 0.000 1.049 163 K CA 2.270 58.680 56.287 0.206 0.000 0.931 163 K CB -0.254 32.337 32.500 0.152 0.000 0.714 163 K HN 0.627 nan 8.250 nan 0.000 0.440 164 T N -1.891 112.760 114.554 0.162 0.000 2.985 164 T HA -0.027 4.323 4.350 0.000 0.000 0.266 164 T C 1.893 176.656 174.700 0.104 0.000 1.076 164 T CA 1.024 63.183 62.100 0.098 0.000 1.135 164 T CB -0.157 68.729 68.868 0.031 0.000 0.890 164 T HN 0.001 nan 8.240 nan 0.000 0.480 165 V N 0.440 120.456 119.914 0.170 0.000 2.453 165 V HA 0.053 4.173 4.120 0.000 0.000 0.247 165 V C 2.151 178.417 176.094 0.287 0.000 1.048 165 V CA 1.484 63.915 62.300 0.219 0.000 1.049 165 V CB -1.016 30.958 31.823 0.252 0.000 0.672 165 V HN 0.494 nan 8.190 nan 0.000 0.457 166 F N 0.742 120.824 119.950 0.220 0.000 2.113 166 F HA -0.148 4.379 4.527 0.000 0.000 0.297 166 F C 2.106 177.959 175.800 0.089 0.000 1.103 166 F CA 1.635 59.775 58.000 0.233 0.000 1.248 166 F CB -0.195 38.972 39.000 0.278 0.000 0.999 166 F HN 0.032 nan 8.300 nan 0.000 0.475 167 I N 0.296 120.986 120.570 0.201 0.000 2.151 167 I HA -0.385 3.785 4.170 0.000 0.000 0.243 167 I C 2.420 178.424 176.117 -0.188 0.000 1.080 167 I CA 1.816 63.093 61.300 -0.038 0.000 1.339 167 I CB -0.639 37.245 38.000 -0.194 0.000 1.039 167 I HN 0.246 nan 8.210 nan 0.000 0.409 168 Q N -0.055 119.662 119.800 -0.139 0.000 2.124 168 Q HA -0.276 4.064 4.340 0.000 0.000 0.202 168 Q C 2.127 178.024 176.000 -0.172 0.000 0.977 168 Q CA 1.719 57.444 55.803 -0.131 0.000 0.850 168 Q CB -0.093 28.609 28.738 -0.060 0.000 0.901 168 Q HN 0.356 nan 8.270 nan 0.000 0.429 169 E N 0.708 120.726 120.200 -0.304 0.000 2.106 169 E HA -0.138 4.212 4.350 0.000 0.000 0.192 169 E C 1.684 178.021 176.600 -0.438 0.000 0.984 169 E CA 0.856 56.944 56.400 -0.521 0.000 0.806 169 E CB -0.152 28.794 29.700 -1.256 0.000 0.750 169 E HN 0.298 nan 8.360 nan 0.000 0.458 170 L N 0.112 121.103 121.223 -0.387 0.000 2.046 170 L HA -0.181 4.159 4.340 0.000 0.000 0.208 170 L C 2.414 179.283 176.870 -0.003 0.000 1.077 170 L CA 1.143 55.881 54.840 -0.170 0.000 0.747 170 L CB -0.468 41.605 42.059 0.023 0.000 0.896 170 L HN 0.251 nan 8.230 nan 0.000 0.432 171 I N 0.020 120.615 120.570 0.041 0.000 2.142 171 I HA -0.333 3.837 4.170 0.000 0.000 0.240 171 I C 2.352 178.461 176.117 -0.014 0.000 1.078 171 I CA 1.762 63.104 61.300 0.071 0.000 1.343 171 I CB -0.483 37.545 38.000 0.048 0.000 1.046 171 I HN 0.354 nan 8.210 nan 0.000 0.405 172 N N 1.326 119.980 118.700 -0.077 0.000 2.061 172 N HA -0.227 4.513 4.740 0.000 0.000 0.193 172 N C 1.601 177.040 175.510 -0.118 0.000 1.030 172 N CA 2.028 55.020 53.050 -0.096 0.000 0.856 172 N CB -0.100 38.311 38.487 -0.126 0.000 1.023 172 N HN 0.213 nan 8.380 nan 0.000 0.424 173 N N 0.203 118.808 118.700 -0.158 0.000 2.135 173 N HA -0.048 4.692 4.740 0.000 0.000 0.186 173 N C 1.568 176.972 175.510 -0.177 0.000 1.027 173 N CA 0.788 53.730 53.050 -0.180 0.000 0.849 173 N CB -0.402 37.957 38.487 -0.214 0.000 1.002 173 N HN 0.268 nan 8.380 nan 0.000 0.425 174 I N 1.405 121.920 120.570 -0.093 0.000 2.335 174 I HA -0.190 3.980 4.170 0.000 0.000 0.251 174 I C 2.132 178.202 176.117 -0.079 0.000 1.129 174 I CA 0.705 61.993 61.300 -0.019 0.000 1.402 174 I CB -1.433 36.598 38.000 0.052 0.000 1.069 174 I HN 0.032 nan 8.210 nan 0.000 0.424 175 A N 0.461 123.223 122.820 -0.097 0.000 1.832 175 A HA -0.161 4.159 4.320 0.000 0.000 0.214 175 A C 2.364 179.856 177.584 -0.152 0.000 1.200 175 A CA 1.223 53.179 52.037 -0.135 0.000 0.610 175 A CB -0.436 18.521 19.000 -0.071 0.000 0.842 175 A HN 0.152 nan 8.150 nan 0.000 0.444 176 K N -0.271 120.046 120.400 -0.139 0.000 2.097 176 K HA -0.033 4.287 4.320 0.000 0.000 0.206 176 K C 2.101 178.593 176.600 -0.180 0.000 1.049 176 K CA 1.391 57.596 56.287 -0.137 0.000 0.933 176 K CB -0.431 31.999 32.500 -0.117 0.000 0.717 176 K HN 0.459 nan 8.250 nan 0.000 0.442 177 A N 0.022 122.670 122.820 -0.286 0.000 1.924 177 A HA -0.042 4.278 4.320 0.000 0.000 0.211 177 A C 1.269 178.603 177.584 -0.417 0.000 1.198 177 A CA 0.756 52.532 52.037 -0.434 0.000 0.657 177 A CB -0.144 18.436 19.000 -0.699 0.000 0.852 177 A HN 0.251 nan 8.150 nan 0.000 0.454 178 H N -1.502 117.514 119.070 -0.089 0.000 2.784 178 H HA 0.296 4.852 4.556 0.000 0.000 0.273 178 H C 1.479 176.729 175.328 -0.130 0.000 1.112 178 H CA 0.085 56.078 56.048 -0.092 0.000 1.162 178 H CB 0.057 29.772 29.762 -0.078 0.000 1.586 178 H HN 0.570 nan 8.280 nan 0.000 0.548 179 G N 1.122 109.864 108.800 -0.097 0.000 2.180 179 G HA2 -0.268 3.692 3.960 0.000 0.000 0.263 179 G HA3 -0.268 3.692 3.960 0.000 0.000 0.263 179 G C 0.787 175.474 174.900 -0.356 0.000 0.989 179 G CA 0.527 45.505 45.100 -0.203 0.000 0.692 179 G HN 0.720 nan 8.290 nan 0.000 0.526 180 G N -1.119 107.510 108.800 -0.285 0.000 2.437 180 G HA2 0.687 4.647 3.960 0.000 0.000 0.319 180 G HA3 0.687 4.647 3.960 0.000 0.000 0.319 180 G C -0.211 174.429 174.900 -0.433 0.000 1.158 180 G CA -0.872 44.022 45.100 -0.343 0.000 0.899 180 G HN 0.122 nan 8.290 nan 0.000 0.502 181 F N -0.272 119.543 119.950 -0.225 0.000 2.362 181 F HA 0.710 5.237 4.527 0.000 0.000 0.340 181 F C 0.940 176.625 175.800 -0.191 0.000 1.088 181 F CA -0.630 57.188 58.000 -0.303 0.000 1.096 181 F CB 1.410 40.001 39.000 -0.681 0.000 1.486 181 F HN 0.311 nan 8.300 nan 0.000 0.500 182 S N -0.493 115.271 115.700 0.106 0.000 2.569 182 S HA 0.744 5.214 4.470 0.000 0.000 0.280 182 S C -1.524 173.164 174.600 0.146 0.000 1.111 182 S CA -0.735 57.557 58.200 0.154 0.000 0.887 182 S CB 2.239 65.598 63.200 0.265 0.000 1.095 182 S HN 0.253 nan 8.310 nan 0.000 0.476 183 V N 2.633 122.666 119.914 0.200 0.000 2.483 183 V HA 0.495 4.615 4.120 0.000 0.000 0.297 183 V C -1.313 174.944 176.094 0.272 0.000 1.027 183 V CA -0.629 61.782 62.300 0.184 0.000 0.855 183 V CB 1.333 33.231 31.823 0.125 0.000 0.995 183 V HN 0.853 nan 8.190 nan 0.000 0.424 184 F N 3.650 123.648 119.950 0.080 0.000 2.385 184 F HA 0.628 5.155 4.527 0.000 0.000 0.360 184 F C 0.454 176.194 175.800 -0.100 0.000 1.122 184 F CA 0.065 58.098 58.000 0.054 0.000 1.090 184 F CB 1.292 40.255 39.000 -0.060 0.000 1.150 184 F HN 0.494 nan 8.300 nan 0.000 0.472 185 T N 4.563 118.905 114.554 -0.354 0.000 2.771 185 T HA 0.466 4.816 4.350 0.000 0.000 0.281 185 T C 0.285 174.806 174.700 -0.299 0.000 0.982 185 T CA -0.593 61.350 62.100 -0.262 0.000 0.978 185 T CB 1.344 70.113 68.868 -0.164 0.000 0.930 185 T HN 0.799 nan 8.240 nan 0.000 0.447 186 G N 2.329 111.138 108.800 0.015 0.000 3.288 186 G HA2 0.464 4.424 3.960 0.000 0.000 0.337 186 G HA3 0.464 4.424 3.960 0.000 0.000 0.337 186 G C -0.091 174.966 174.900 0.263 0.000 1.142 186 G CA -0.469 44.839 45.100 0.347 0.000 1.304 186 G HN 0.685 nan 8.290 nan 0.000 0.475 187 V N 1.839 121.824 119.914 0.118 0.000 2.415 187 V HA 0.473 4.593 4.120 0.000 0.000 0.267 187 V C 1.418 177.582 176.094 0.117 0.000 1.042 187 V CA 0.796 63.165 62.300 0.116 0.000 1.000 187 V CB 0.313 32.197 31.823 0.102 0.000 1.015 187 V HN 1.166 nan 8.190 nan 0.000 0.478 188 G N 3.773 112.637 108.800 0.107 0.000 2.212 188 G HA2 -0.231 3.729 3.960 0.000 0.000 0.255 188 G HA3 -0.231 3.729 3.960 0.000 0.000 0.255 188 G C -0.078 174.870 174.900 0.079 0.000 1.062 188 G CA 0.223 45.367 45.100 0.073 0.000 0.815 188 G HN 0.905 nan 8.290 nan 0.000 0.497 189 E N 0.372 120.635 120.200 0.104 0.000 2.290 189 E HA 0.444 4.794 4.350 0.000 0.000 0.277 189 E C 1.054 177.648 176.600 -0.010 0.000 1.035 189 E CA -0.632 55.816 56.400 0.080 0.000 0.873 189 E CB 0.287 30.057 29.700 0.117 0.000 1.029 189 E HN 0.390 nan 8.360 nan 0.000 0.419 190 R N 3.662 124.156 120.500 -0.010 0.000 2.488 190 R HA -0.022 4.318 4.340 0.000 0.000 0.317 190 R C 0.758 176.999 176.300 -0.097 0.000 0.941 190 R CA 0.660 56.736 56.100 -0.039 0.000 1.076 190 R CB 0.221 30.508 30.300 -0.021 0.000 0.917 190 R HN 0.733 nan 8.270 nan 0.000 0.407 191 T N 2.489 116.977 114.554 -0.109 0.000 2.759 191 T HA -0.215 4.135 4.350 0.000 0.000 0.269 191 T C 1.761 176.376 174.700 -0.141 0.000 1.042 191 T CA 1.154 63.157 62.100 -0.162 0.000 1.140 191 T CB -0.121 68.680 68.868 -0.112 0.000 0.864 191 T HN 0.562 nan 8.240 nan 0.000 0.455 192 R N 1.112 121.561 120.500 -0.084 0.000 2.091 192 R HA -0.153 4.187 4.340 0.000 0.000 0.238 192 R C 2.243 178.506 176.300 -0.061 0.000 1.136 192 R CA 1.757 57.822 56.100 -0.058 0.000 0.959 192 R CB -0.121 30.158 30.300 -0.035 0.000 0.856 192 R HN 0.540 nan 8.270 nan 0.000 0.437 193 E N -1.232 118.929 120.200 -0.065 0.000 2.072 193 E HA -0.075 4.275 4.350 0.000 0.000 0.190 193 E C 1.926 178.481 176.600 -0.074 0.000 0.982 193 E CA 0.878 57.252 56.400 -0.045 0.000 0.803 193 E CB -0.161 29.534 29.700 -0.009 0.000 0.755 193 E HN 0.560 nan 8.360 nan 0.000 0.453 194 G N 1.801 110.481 108.800 -0.200 0.000 2.450 194 G HA2 -0.325 3.635 3.960 0.000 0.000 0.220 194 G HA3 -0.325 3.635 3.960 0.000 0.000 0.220 194 G C 1.390 176.173 174.900 -0.196 0.000 1.130 194 G CA 0.794 45.648 45.100 -0.409 0.000 0.760 194 G HN 0.202 nan 8.290 nan 0.000 0.557 195 N N 0.663 119.280 118.700 -0.137 0.000 2.106 195 N HA -0.133 4.607 4.740 0.000 0.000 0.188 195 N C 1.569 177.109 175.510 0.050 0.000 1.029 195 N CA 1.420 54.468 53.050 -0.003 0.000 0.848 195 N CB -0.188 38.287 38.487 -0.021 0.000 1.007 195 N HN 0.086 nan 8.380 nan 0.000 0.423 196 D N 1.015 121.418 120.400 0.005 0.000 2.149 196 D HA -0.153 4.487 4.640 0.000 0.000 0.198 196 D C 1.968 178.274 176.300 0.010 0.000 0.990 196 D CA 0.480 54.483 54.000 0.005 0.000 0.839 196 D CB -0.240 40.553 40.800 -0.011 0.000 0.948 196 D HN 0.295 nan 8.370 nan 0.000 0.460 197 L N -0.316 120.915 121.223 0.013 0.000 2.056 197 L HA -0.158 4.182 4.340 0.000 0.000 0.207 197 L C 2.199 179.100 176.870 0.051 0.000 1.078 197 L CA 1.418 56.252 54.840 -0.010 0.000 0.749 197 L CB -0.621 41.401 42.059 -0.061 0.000 0.901 197 L HN -0.028 nan 8.230 nan 0.000 0.433 198 Y N 0.331 120.623 120.300 -0.013 0.000 2.200 198 Y HA -0.187 4.363 4.550 0.000 0.000 0.290 198 Y C 2.863 178.764 175.900 0.002 0.000 1.137 198 Y CA 1.912 60.019 58.100 0.011 0.000 1.163 198 Y CB -0.322 38.169 38.460 0.052 0.000 0.988 198 Y HN 0.170 nan 8.280 nan 0.000 0.518 199 R N 0.380 120.852 120.500 -0.046 0.000 2.096 199 R HA -0.208 4.132 4.340 0.000 0.000 0.235 199 R C 2.275 178.525 176.300 -0.083 0.000 1.127 199 R CA 1.860 57.890 56.100 -0.116 0.000 0.968 199 R CB -0.273 30.011 30.300 -0.025 0.000 0.861 199 R HN 0.541 nan 8.270 nan 0.000 0.440 200 E N 0.104 120.290 120.200 -0.025 0.000 2.047 200 E HA -0.160 4.190 4.350 0.000 0.000 0.191 200 E C 2.004 178.609 176.600 0.009 0.000 0.987 200 E CA 1.081 57.504 56.400 0.039 0.000 0.799 200 E CB -0.011 29.712 29.700 0.038 0.000 0.752 200 E HN 0.286 nan 8.360 nan 0.000 0.449 201 M N 0.307 119.876 119.600 -0.051 0.000 2.346 201 M HA -0.172 4.309 4.480 0.000 0.000 0.263 201 M C 1.928 178.162 176.300 -0.110 0.000 1.064 201 M CA 1.280 56.538 55.300 -0.070 0.000 1.083 201 M CB -0.000 32.566 32.600 -0.057 0.000 1.399 201 M HN 0.032 nan 8.290 nan 0.000 0.435 202 K N -0.130 120.161 120.400 -0.181 0.000 2.098 202 K HA -0.082 4.238 4.320 0.000 0.000 0.203 202 K C 1.715 178.246 176.600 -0.115 0.000 1.051 202 K CA 0.973 57.146 56.287 -0.190 0.000 0.957 202 K CB -0.000 32.322 32.500 -0.295 0.000 0.738 202 K HN 0.359 nan 8.250 nan 0.000 0.447 203 E N 0.125 120.280 120.200 -0.075 0.000 2.110 203 E HA -0.153 4.197 4.350 0.000 0.000 0.193 203 E C 1.877 178.398 176.600 -0.133 0.000 0.988 203 E CA 1.364 57.721 56.400 -0.072 0.000 0.804 203 E CB 0.034 29.756 29.700 0.036 0.000 0.745 203 E HN 0.165 nan 8.360 nan 0.000 0.458 204 T N -1.497 113.011 114.554 -0.078 0.000 3.055 204 T HA 0.047 4.397 4.350 0.000 0.000 0.265 204 T C 1.312 175.959 174.700 -0.088 0.000 1.111 204 T CA 1.041 63.086 62.100 -0.091 0.000 1.118 204 T CB -0.164 68.703 68.868 -0.001 0.000 0.909 204 T HN 0.371 nan 8.240 nan 0.000 0.501 205 G N 0.471 109.224 108.800 -0.079 0.000 2.160 205 G HA2 -0.281 3.679 3.960 0.000 0.000 0.244 205 G HA3 -0.281 3.679 3.960 0.000 0.000 0.244 205 G C 0.965 175.838 174.900 -0.045 0.000 1.022 205 G CA 0.817 45.878 45.100 -0.064 0.000 0.741 205 G HN 1.210 nan 8.290 nan 0.000 0.508 206 V N -2.479 117.410 119.914 -0.042 0.000 2.725 206 V HA 0.488 4.608 4.120 0.000 0.000 0.247 206 V C 1.424 177.508 176.094 -0.017 0.000 1.058 206 V CA 1.089 63.373 62.300 -0.026 0.000 1.080 206 V CB 0.029 31.833 31.823 -0.032 0.000 0.713 206 V HN 0.406 nan 8.190 nan 0.000 0.465 207 I N 2.849 123.401 120.570 -0.030 0.000 2.315 207 I HA 0.404 4.574 4.170 0.000 0.000 0.291 207 I C -0.391 175.702 176.117 -0.040 0.000 1.006 207 I CA -0.036 61.252 61.300 -0.020 0.000 1.265 207 I CB 1.087 39.084 38.000 -0.005 0.000 1.387 207 I HN 0.242 nan 8.210 nan 0.000 0.475 208 N N 7.127 125.813 118.700 -0.023 0.000 2.491 208 N HA 0.311 5.051 4.740 0.000 0.000 0.274 208 N C 0.411 175.913 175.510 -0.013 0.000 1.023 208 N CA -0.398 52.636 53.050 -0.027 0.000 0.902 208 N CB 1.788 40.261 38.487 -0.023 0.000 1.267 208 N HN 0.549 nan 8.380 nan 0.000 0.503 209 L N 2.305 123.519 121.223 -0.015 0.000 2.093 209 L HA 0.010 4.350 4.340 0.000 0.000 0.208 209 L C 1.197 178.067 176.870 0.001 0.000 1.085 209 L CA 1.138 55.980 54.840 0.003 0.000 0.755 209 L CB 0.009 42.071 42.059 0.004 0.000 0.904 209 L HN 0.503 nan 8.230 nan 0.000 0.435 210 E N -0.266 119.930 120.200 -0.007 0.000 2.394 210 E HA 0.238 4.588 4.350 0.000 0.000 0.191 210 E C 0.561 177.158 176.600 -0.005 0.000 1.044 210 E CA -0.041 56.356 56.400 -0.005 0.000 0.939 210 E CB 0.466 30.161 29.700 -0.008 0.000 1.089 210 E HN 0.456 nan 8.360 nan 0.000 0.456 211 G N 0.064 108.862 108.800 -0.004 0.000 2.588 211 G HA2 0.080 4.040 3.960 0.000 0.000 0.281 211 G HA3 0.080 4.040 3.960 0.000 0.000 0.281 211 G C -1.171 173.730 174.900 0.002 0.000 1.223 211 G CA -0.761 44.339 45.100 -0.001 0.000 0.871 211 G HN -0.035 nan 8.290 nan 0.000 0.492 212 E N 0.499 120.704 120.200 0.009 0.000 2.360 212 E HA 0.447 4.797 4.350 0.000 0.000 0.269 212 E C -0.602 176.003 176.600 0.009 0.000 1.022 212 E CA 0.308 56.719 56.400 0.018 0.000 0.887 212 E CB 1.358 31.085 29.700 0.045 0.000 0.990 212 E HN 0.200 nan 8.360 nan 0.000 0.426 213 S N 2.218 117.908 115.700 -0.017 0.000 2.503 213 S HA 0.253 4.723 4.470 0.000 0.000 0.301 213 S C 0.645 175.212 174.600 -0.056 0.000 1.087 213 S CA -0.646 57.534 58.200 -0.033 0.000 1.042 213 S CB 1.383 64.555 63.200 -0.046 0.000 1.043 213 S HN 0.368 nan 8.310 nan 0.000 0.489 214 K N 0.936 121.345 120.400 0.015 0.000 2.276 214 K HA 0.258 4.578 4.320 0.000 0.000 0.198 214 K C 0.124 176.756 176.600 0.053 0.000 1.052 214 K CA 0.297 56.655 56.287 0.118 0.000 0.984 214 K CB 0.557 33.130 32.500 0.120 0.000 0.836 214 K HN 0.338 nan 8.250 nan 0.000 0.490 215 V N 0.982 120.901 119.914 0.008 0.000 2.495 215 V HA 0.634 4.754 4.120 0.000 0.000 0.298 215 V C -1.429 174.670 176.094 0.009 0.000 1.031 215 V CA -0.902 61.416 62.300 0.031 0.000 0.871 215 V CB 1.419 33.275 31.823 0.055 0.000 0.988 215 V HN 0.183 nan 8.190 nan 0.000 0.432 216 A N 7.303 130.140 122.820 0.028 0.000 2.310 216 A HA 0.812 5.132 4.320 0.000 0.000 0.299 216 A C -0.730 176.871 177.584 0.029 0.000 1.147 216 A CA -0.556 51.500 52.037 0.033 0.000 0.818 216 A CB 0.561 19.608 19.000 0.078 0.000 1.096 216 A HN 0.864 nan 8.150 nan 0.000 0.495 217 L N 2.233 123.436 121.223 -0.034 0.000 2.334 217 L HA 0.703 5.043 4.340 0.000 0.000 0.276 217 L C -0.954 175.782 176.870 -0.223 0.000 1.014 217 L CA -0.913 53.834 54.840 -0.154 0.000 0.815 217 L CB 1.865 43.797 42.059 -0.213 0.000 1.268 217 L HN 0.427 nan 8.230 nan 0.000 0.428 218 V N 2.189 121.878 119.914 -0.375 0.000 2.733 218 V HA 0.493 4.613 4.120 0.000 0.000 0.306 218 V C -1.208 174.646 176.094 -0.398 0.000 1.084 218 V CA -0.492 61.649 62.300 -0.266 0.000 0.905 218 V CB 2.131 33.881 31.823 -0.121 0.000 1.010 218 V HN 0.389 nan 8.190 nan 0.000 0.424 219 F N 2.004 121.986 119.950 0.053 0.000 2.536 219 F HA 0.734 5.261 4.527 0.000 0.000 0.322 219 F C 0.642 176.463 175.800 0.035 0.000 1.144 219 F CA -0.943 57.090 58.000 0.055 0.000 0.924 219 F CB 2.409 41.435 39.000 0.043 0.000 1.181 219 F HN 0.566 nan 8.300 nan 0.000 0.438 220 G N 3.583 112.544 108.800 0.267 0.000 3.102 220 G HA2 0.459 4.419 3.960 0.000 0.000 0.345 220 G HA3 0.459 4.419 3.960 0.000 0.000 0.345 220 G C -0.422 174.562 174.900 0.139 0.000 1.200 220 G CA -0.413 44.781 45.100 0.155 0.000 1.163 220 G HN 0.542 nan 8.290 nan 0.000 0.465 221 Q N 0.791 120.651 119.800 0.100 0.000 2.651 221 Q HA 0.184 4.524 4.340 0.000 0.000 0.224 221 Q C 1.831 177.847 176.000 0.027 0.000 1.094 221 Q CA -0.127 55.697 55.803 0.034 0.000 1.018 221 Q CB 1.043 29.768 28.738 -0.022 0.000 1.292 221 Q HN 0.561 nan 8.270 nan 0.000 0.588 222 M N 1.488 121.092 119.600 0.006 0.000 2.279 222 M HA -0.166 4.314 4.480 0.000 0.000 0.264 222 M C 1.270 177.571 176.300 0.001 0.000 1.062 222 M CA 1.416 56.719 55.300 0.005 0.000 1.099 222 M CB 0.022 32.620 32.600 -0.004 0.000 1.394 222 M HN 0.696 nan 8.290 nan 0.000 0.426 223 N N -0.293 118.405 118.700 -0.003 0.000 2.463 223 N HA -0.049 4.691 4.740 0.000 0.000 0.181 223 N C -0.179 175.333 175.510 0.004 0.000 1.078 223 N CA 0.274 53.323 53.050 -0.002 0.000 0.902 223 N CB -0.252 38.231 38.487 -0.008 0.000 0.970 223 N HN 0.399 nan 8.380 nan 0.000 0.451 224 E N 1.858 122.064 120.200 0.011 0.000 2.392 224 E HA 0.226 4.576 4.350 0.000 0.000 0.259 224 E C -2.123 174.484 176.600 0.012 0.000 1.108 224 E CA -1.741 54.668 56.400 0.016 0.000 0.916 224 E CB 0.528 30.244 29.700 0.027 0.000 0.989 224 E HN 0.264 nan 8.360 nan 0.000 0.432 225 P HA -0.012 nan 4.420 nan 0.000 0.270 225 P C -2.317 174.986 177.300 0.005 0.000 1.223 225 P CA -1.117 61.987 63.100 0.007 0.000 0.785 225 P CB 0.160 31.866 31.700 0.009 0.000 0.923 226 P HA -0.158 nan 4.420 nan 0.000 0.217 226 P C 1.676 178.972 177.300 -0.008 0.000 1.148 226 P CA 1.994 65.086 63.100 -0.015 0.000 0.828 226 P CB -0.489 31.196 31.700 -0.025 0.000 0.783 227 G N -0.079 108.724 108.800 0.004 0.000 2.432 227 G HA2 -0.231 3.729 3.960 0.000 0.000 0.219 227 G HA3 -0.231 3.729 3.960 0.000 0.000 0.219 227 G C 1.578 176.496 174.900 0.031 0.000 1.135 227 G CA 0.898 46.008 45.100 0.017 0.000 0.767 227 G HN 0.357 nan 8.290 nan 0.000 0.550 228 A N 0.489 123.327 122.820 0.031 0.000 1.935 228 A HA 0.202 4.522 4.320 0.000 0.000 0.214 228 A C 2.403 180.017 177.584 0.051 0.000 1.178 228 A CA 1.167 53.229 52.037 0.042 0.000 0.640 228 A CB -0.202 18.822 19.000 0.039 0.000 0.825 228 A HN 0.294 nan 8.150 nan 0.000 0.447 229 R N -0.163 120.361 120.500 0.040 0.000 2.148 229 R HA 0.034 4.374 4.340 0.000 0.000 0.227 229 R C 2.237 178.578 176.300 0.069 0.000 1.103 229 R CA 1.058 57.189 56.100 0.051 0.000 0.983 229 R CB -0.356 29.958 30.300 0.024 0.000 0.874 229 R HN 0.490 nan 8.270 nan 0.000 0.451 230 A N 0.740 123.580 122.820 0.034 0.000 1.969 230 A HA -0.088 4.232 4.320 0.000 0.000 0.218 230 A C 1.686 179.372 177.584 0.169 0.000 1.169 230 A CA 1.096 53.148 52.037 0.025 0.000 0.635 230 A CB -0.016 18.962 19.000 -0.037 0.000 0.810 230 A HN 0.076 nan 8.150 nan 0.000 0.445 231 R N -0.498 120.074 120.500 0.119 0.000 2.282 231 R HA 0.070 4.410 4.340 0.000 0.000 0.195 231 R C 1.914 178.246 176.300 0.052 0.000 0.909 231 R CA 1.158 57.313 56.100 0.092 0.000 1.039 231 R CB -1.010 29.330 30.300 0.067 0.000 1.015 231 R HN 0.514 nan 8.270 nan 0.000 0.513 232 V N -0.098 119.856 119.914 0.067 0.000 2.332 232 V HA -0.170 3.950 4.120 0.000 0.000 0.248 232 V C 2.488 178.581 176.094 -0.003 0.000 1.055 232 V CA 1.882 64.204 62.300 0.037 0.000 1.038 232 V CB -1.343 30.517 31.823 0.062 0.000 0.651 232 V HN 0.155 nan 8.190 nan 0.000 0.450 233 A N 0.780 123.603 122.820 0.005 0.000 1.940 233 A HA -0.134 4.186 4.320 0.000 0.000 0.219 233 A C 2.264 179.766 177.584 -0.135 0.000 1.176 233 A CA 2.327 54.303 52.037 -0.103 0.000 0.631 233 A CB -0.703 18.162 19.000 -0.224 0.000 0.814 233 A HN 0.578 nan 8.150 nan 0.000 0.446 234 L N -0.948 120.211 121.223 -0.107 0.000 2.093 234 L HA -0.142 4.198 4.340 0.000 0.000 0.208 234 L C 2.796 179.596 176.870 -0.117 0.000 1.085 234 L CA 1.646 56.401 54.840 -0.142 0.000 0.755 234 L CB -0.756 41.182 42.059 -0.200 0.000 0.904 234 L HN 0.349 nan 8.230 nan 0.000 0.435 235 T N -0.417 114.087 114.554 -0.083 0.000 2.643 235 T HA -0.144 4.206 4.350 0.000 0.000 0.264 235 T C 1.879 176.548 174.700 -0.051 0.000 1.045 235 T CA 1.467 63.531 62.100 -0.061 0.000 1.155 235 T CB -0.730 68.115 68.868 -0.038 0.000 0.863 235 T HN 0.536 nan 8.240 nan 0.000 0.420 236 G N 1.661 110.428 108.800 -0.054 0.000 2.469 236 G HA2 -0.198 3.762 3.960 0.000 0.000 0.219 236 G HA3 -0.198 3.762 3.960 0.000 0.000 0.219 236 G C 1.563 176.446 174.900 -0.028 0.000 1.150 236 G CA 1.103 46.179 45.100 -0.041 0.000 0.763 236 G HN 0.434 nan 8.290 nan 0.000 0.561 237 L N 1.130 122.315 121.223 -0.063 0.000 2.042 237 L HA -0.048 4.292 4.340 0.000 0.000 0.210 237 L C 2.828 179.683 176.870 -0.025 0.000 1.076 237 L CA 2.804 57.607 54.840 -0.061 0.000 0.749 237 L CB -1.061 40.932 42.059 -0.109 0.000 0.893 237 L HN 0.205 nan 8.230 nan 0.000 0.432 238 T N -0.020 114.513 114.554 -0.034 0.000 2.788 238 T HA -0.141 4.209 4.350 0.000 0.000 0.268 238 T C 1.992 176.701 174.700 0.015 0.000 1.044 238 T CA 1.964 64.054 62.100 -0.017 0.000 1.139 238 T CB -0.398 68.447 68.868 -0.039 0.000 0.867 238 T HN 0.362 nan 8.240 nan 0.000 0.454 239 I N 1.477 122.060 120.570 0.020 0.000 2.179 239 I HA -0.175 3.995 4.170 0.000 0.000 0.242 239 I C 2.995 179.217 176.117 0.176 0.000 1.088 239 I CA 1.203 62.536 61.300 0.055 0.000 1.357 239 I CB -0.532 37.516 38.000 0.081 0.000 1.051 239 I HN 0.200 nan 8.210 nan 0.000 0.409 240 A N 0.302 123.236 122.820 0.190 0.000 1.933 240 A HA -0.232 4.088 4.320 0.000 0.000 0.218 240 A C 2.188 179.890 177.584 0.197 0.000 1.175 240 A CA 1.691 53.877 52.037 0.247 0.000 0.628 240 A CB -0.599 18.469 19.000 0.114 0.000 0.814 240 A HN 0.462 nan 8.150 nan 0.000 0.444 241 E N -1.879 118.384 120.200 0.105 0.000 2.153 241 E HA -0.200 4.150 4.350 0.000 0.000 0.194 241 E C 1.770 178.407 176.600 0.061 0.000 0.988 241 E CA 1.283 57.720 56.400 0.062 0.000 0.811 241 E CB -0.254 29.463 29.700 0.029 0.000 0.746 241 E HN 0.813 nan 8.360 nan 0.000 0.466 242 Y N 0.126 120.387 120.300 -0.066 0.000 2.163 242 Y HA -0.223 4.327 4.550 0.000 0.000 0.288 242 Y C 1.725 177.537 175.900 -0.146 0.000 1.136 242 Y CA 1.453 59.456 58.100 -0.162 0.000 1.147 242 Y CB -0.176 38.103 38.460 -0.303 0.000 0.987 242 Y HN -0.044 nan 8.280 nan 0.000 0.509 243 F N 0.130 120.169 119.950 0.148 0.000 2.333 243 F HA -0.141 4.386 4.527 0.000 0.000 0.300 243 F C 2.612 178.409 175.800 -0.005 0.000 1.083 243 F CA 1.688 59.750 58.000 0.104 0.000 1.395 243 F CB -0.504 38.617 39.000 0.201 0.000 1.056 243 F HN 0.022 nan 8.300 nan 0.000 0.529 244 R N 0.356 120.928 120.500 0.120 0.000 2.066 244 R HA -0.083 4.257 4.340 0.000 0.000 0.224 244 R C 1.633 177.902 176.300 -0.052 0.000 1.122 244 R CA 1.602 57.721 56.100 0.031 0.000 0.974 244 R CB -0.230 30.082 30.300 0.021 0.000 0.871 244 R HN 0.085 nan 8.270 nan 0.000 0.435 245 D N 0.279 120.611 120.400 -0.115 0.000 2.162 245 D HA -0.087 4.553 4.640 0.000 0.000 0.203 245 D C 1.338 177.500 176.300 -0.229 0.000 0.967 245 D CA 0.982 54.891 54.000 -0.152 0.000 0.840 245 D CB 0.156 40.871 40.800 -0.141 0.000 0.972 245 D HN 0.250 nan 8.370 nan 0.000 0.482 246 E N 0.024 119.977 120.200 -0.411 0.000 2.473 246 E HA 0.088 4.438 4.350 0.000 0.000 0.204 246 E C 1.107 177.552 176.600 -0.259 0.000 0.994 246 E CA 0.178 56.302 56.400 -0.460 0.000 0.945 246 E CB 0.837 29.953 29.700 -0.974 0.000 0.990 246 E HN 0.401 nan 8.360 nan 0.000 0.493 247 E N -0.480 119.630 120.200 -0.150 0.000 2.485 247 E HA 0.159 4.509 4.350 0.000 0.000 0.213 247 E C 0.607 177.214 176.600 0.012 0.000 0.923 247 E CA 0.362 56.766 56.400 0.007 0.000 1.054 247 E CB 1.253 31.058 29.700 0.176 0.000 1.077 247 E HN 0.184 nan 8.360 nan 0.000 0.509 248 G N 2.904 111.696 108.800 -0.013 0.000 2.198 248 G HA2 -0.305 3.655 3.960 0.000 0.000 0.257 248 G HA3 -0.305 3.655 3.960 0.000 0.000 0.257 248 G C 0.021 174.916 174.900 -0.008 0.000 1.042 248 G CA 0.619 45.709 45.100 -0.018 0.000 0.791 248 G HN 0.238 nan 8.290 nan 0.000 0.502 249 Q N -0.208 119.602 119.800 0.017 0.000 2.169 249 Q HA 0.572 4.912 4.340 0.000 0.000 0.234 249 Q C -0.674 175.318 176.000 -0.014 0.000 0.980 249 Q CA -0.903 54.894 55.803 -0.009 0.000 0.941 249 Q CB 1.141 29.863 28.738 -0.027 0.000 1.199 249 Q HN 0.266 nan 8.270 nan 0.000 0.496 250 D N 1.105 121.483 120.400 -0.038 0.000 2.280 250 D HA 0.292 4.932 4.640 0.000 0.000 0.243 250 D C -0.816 175.467 176.300 -0.028 0.000 1.129 250 D CA -0.117 53.857 54.000 -0.043 0.000 0.848 250 D CB 1.359 42.111 40.800 -0.079 0.000 1.107 250 D HN 0.139 nan 8.370 nan 0.000 0.471 251 V N 2.163 122.069 119.914 -0.013 0.000 2.715 251 V HA 0.432 4.552 4.120 0.000 0.000 0.310 251 V C 0.321 176.392 176.094 -0.040 0.000 1.054 251 V CA -1.007 61.293 62.300 0.000 0.000 0.928 251 V CB 1.939 33.803 31.823 0.068 0.000 1.007 251 V HN 0.331 nan 8.190 nan 0.000 0.437 252 L N 4.025 125.220 121.223 -0.047 0.000 2.307 252 L HA 0.582 4.922 4.340 0.000 0.000 0.282 252 L C -0.701 176.068 176.870 -0.168 0.000 1.051 252 L CA -0.473 54.262 54.840 -0.175 0.000 0.804 252 L CB 1.536 43.480 42.059 -0.192 0.000 1.197 252 L HN 0.496 nan 8.230 nan 0.000 0.431 253 L N 3.782 124.830 121.223 -0.291 0.000 2.342 253 L HA 0.504 4.845 4.340 0.000 0.000 0.276 253 L C -1.166 175.502 176.870 -0.337 0.000 0.997 253 L CA 0.122 54.841 54.840 -0.202 0.000 0.838 253 L CB 0.844 42.819 42.059 -0.141 0.000 1.224 253 L HN 0.202 nan 8.230 nan 0.000 0.416 254 F N 5.996 125.863 119.950 -0.139 0.000 2.404 254 F HA 0.468 4.995 4.527 0.000 0.000 0.358 254 F C 0.294 175.837 175.800 -0.428 0.000 1.120 254 F CA -0.155 57.691 58.000 -0.256 0.000 1.144 254 F CB 0.776 39.622 39.000 -0.256 0.000 1.133 254 F HN 0.280 nan 8.300 nan 0.000 0.495 255 I N 3.254 123.714 120.570 -0.184 0.000 2.354 255 I HA 0.290 4.460 4.170 0.000 0.000 0.292 255 I C -0.921 175.098 176.117 -0.163 0.000 0.989 255 I CA -0.356 60.819 61.300 -0.208 0.000 1.188 255 I CB 1.622 39.514 38.000 -0.180 0.000 1.342 255 I HN 0.469 nan 8.210 nan 0.000 0.457 256 D N 5.970 126.269 120.400 -0.169 0.000 2.365 256 D HA 0.183 4.823 4.640 0.000 0.000 0.235 256 D C -1.385 174.946 176.300 0.051 0.000 1.368 256 D CA -0.395 53.582 54.000 -0.038 0.000 1.001 256 D CB 0.888 41.676 40.800 -0.019 0.000 1.364 256 D HN 0.375 nan 8.370 nan 0.000 0.577 257 N N 4.110 122.862 118.700 0.086 0.000 2.314 257 N HA 0.193 4.933 4.740 0.000 0.000 0.294 257 N C 0.689 176.279 175.510 0.132 0.000 1.029 257 N CA -0.570 52.541 53.050 0.102 0.000 0.845 257 N CB 1.680 40.256 38.487 0.149 0.000 1.321 257 N HN 0.415 nan 8.380 nan 0.000 0.481 258 I N 3.784 124.415 120.570 0.102 0.000 2.423 258 I HA -0.165 4.005 4.170 0.000 0.000 0.254 258 I C 1.598 177.870 176.117 0.259 0.000 1.151 258 I CA 1.097 62.472 61.300 0.125 0.000 1.421 258 I CB -0.403 37.616 38.000 0.033 0.000 1.079 258 I HN 0.618 nan 8.210 nan 0.000 0.431 259 F N 1.323 121.358 119.950 0.142 0.000 2.171 259 F HA -0.138 4.389 4.527 0.000 0.000 0.300 259 F C 2.399 178.307 175.800 0.180 0.000 1.090 259 F CA 1.583 59.696 58.000 0.188 0.000 1.293 259 F CB -0.396 38.758 39.000 0.256 0.000 1.013 259 F HN -0.041 nan 8.300 nan 0.000 0.486 260 R N -1.067 119.441 120.500 0.014 0.000 2.276 260 R HA -0.077 4.263 4.340 0.000 0.000 0.203 260 R C 2.045 178.329 176.300 -0.027 0.000 1.017 260 R CA 0.773 56.808 56.100 -0.108 0.000 1.010 260 R CB -0.578 29.732 30.300 0.015 0.000 0.900 260 R HN 0.407 nan 8.270 nan 0.000 0.469 261 F N 1.192 121.100 119.950 -0.070 0.000 2.186 261 F HA -0.132 4.395 4.527 0.000 0.000 0.299 261 F C 1.839 177.603 175.800 -0.059 0.000 1.090 261 F CA 1.447 59.417 58.000 -0.050 0.000 1.307 261 F CB -0.181 38.799 39.000 -0.033 0.000 1.019 261 F HN -0.194 nan 8.300 nan 0.000 0.489 262 T N 0.305 114.740 114.554 -0.198 0.000 2.732 262 T HA -0.143 4.207 4.350 0.000 0.000 0.261 262 T C 1.857 176.422 174.700 -0.224 0.000 1.040 262 T CA 1.204 63.156 62.100 -0.247 0.000 1.145 262 T CB -0.286 68.553 68.868 -0.048 0.000 0.866 262 T HN 0.213 nan 8.240 nan 0.000 0.427 263 Q N 0.824 120.433 119.800 -0.317 0.000 2.197 263 Q HA -0.051 4.289 4.340 0.000 0.000 0.207 263 Q C 2.571 178.458 176.000 -0.187 0.000 0.984 263 Q CA 1.555 57.195 55.803 -0.271 0.000 0.869 263 Q CB -0.549 27.946 28.738 -0.404 0.000 0.906 263 Q HN 0.580 nan 8.270 nan 0.000 0.426 264 A N 0.162 122.861 122.820 -0.203 0.000 1.898 264 A HA 0.015 4.335 4.320 0.000 0.000 0.214 264 A C 2.325 179.795 177.584 -0.191 0.000 1.183 264 A CA 1.435 53.376 52.037 -0.161 0.000 0.622 264 A CB -0.812 18.113 19.000 -0.125 0.000 0.824 264 A HN 0.434 nan 8.150 nan 0.000 0.444 265 G N -1.033 107.577 108.800 -0.317 0.000 2.422 265 G HA2 -0.138 3.822 3.960 0.000 0.000 0.218 265 G HA3 -0.138 3.822 3.960 0.000 0.000 0.218 265 G C 1.851 176.665 174.900 -0.143 0.000 1.140 265 G CA 1.388 46.313 45.100 -0.293 0.000 0.775 265 G HN 0.510 nan 8.290 nan 0.000 0.545 266 S N -0.068 115.570 115.700 -0.104 0.000 2.377 266 S HA -0.026 4.444 4.470 0.000 0.000 0.223 266 S C 2.221 176.787 174.600 -0.057 0.000 1.030 266 S CA 1.345 59.521 58.200 -0.039 0.000 0.970 266 S CB -0.169 63.028 63.200 -0.005 0.000 0.830 266 S HN 0.549 nan 8.310 nan 0.000 0.473 267 E N 0.159 120.315 120.200 -0.074 0.000 2.150 267 E HA -0.077 4.273 4.350 0.000 0.000 0.193 267 E C 2.034 178.608 176.600 -0.044 0.000 0.985 267 E CA 1.151 57.515 56.400 -0.059 0.000 0.814 267 E CB -0.060 29.604 29.700 -0.060 0.000 0.752 267 E HN 0.320 nan 8.360 nan 0.000 0.466 268 V N 0.451 120.336 119.914 -0.049 0.000 2.307 268 V HA -0.242 3.878 4.120 0.000 0.000 0.245 268 V C 2.349 178.429 176.094 -0.023 0.000 1.045 268 V CA 1.790 64.070 62.300 -0.033 0.000 1.024 268 V CB -0.370 31.431 31.823 -0.036 0.000 0.651 268 V HN 0.227 nan 8.190 nan 0.000 0.449 269 S N -0.409 115.274 115.700 -0.028 0.000 2.368 269 S HA -0.183 4.287 4.470 0.000 0.000 0.225 269 S C 2.114 176.707 174.600 -0.011 0.000 1.030 269 S CA 1.566 59.757 58.200 -0.015 0.000 0.999 269 S CB -0.326 62.868 63.200 -0.010 0.000 0.844 269 S HN 0.626 nan 8.310 nan 0.000 0.459 270 A N 0.664 123.473 122.820 -0.018 0.000 1.969 270 A HA 0.125 4.445 4.320 0.000 0.000 0.218 270 A C 2.079 179.655 177.584 -0.013 0.000 1.169 270 A CA 0.938 52.965 52.037 -0.018 0.000 0.635 270 A CB -0.457 18.526 19.000 -0.029 0.000 0.810 270 A HN 0.550 nan 8.150 nan 0.000 0.445 271 L N -0.785 120.430 121.223 -0.013 0.000 2.209 271 L HA 0.026 4.366 4.340 0.000 0.000 0.207 271 L C 2.109 178.978 176.870 -0.001 0.000 1.094 271 L CA 0.400 55.236 54.840 -0.008 0.000 0.790 271 L CB -0.288 41.766 42.059 -0.008 0.000 0.932 271 L HN 0.338 nan 8.230 nan 0.000 0.447 272 L N 0.157 121.379 121.223 -0.000 0.000 2.456 272 L HA -0.030 4.310 4.340 0.000 0.000 0.224 272 L C 1.111 177.985 176.870 0.006 0.000 1.148 272 L CA 0.679 55.523 54.840 0.005 0.000 0.825 272 L CB -0.803 41.260 42.059 0.006 0.000 0.937 272 L HN 0.521 nan 8.230 nan 0.000 0.450 273 G N 1.254 110.055 108.800 0.002 0.000 2.326 273 G HA2 -0.265 3.695 3.960 0.000 0.000 0.286 273 G HA3 -0.265 3.695 3.960 0.000 0.000 0.286 273 G C -0.042 174.861 174.900 0.004 0.000 1.096 273 G CA -0.239 44.862 45.100 0.003 0.000 1.003 273 G HN 0.378 nan 8.290 nan 0.000 0.503 274 R N -0.374 120.128 120.500 0.004 0.000 2.540 274 R HA 0.527 4.867 4.340 0.000 0.000 0.287 274 R C 1.103 177.407 176.300 0.007 0.000 0.980 274 R CA -1.109 54.995 56.100 0.006 0.000 0.966 274 R CB 1.169 31.473 30.300 0.007 0.000 1.106 274 R HN 0.241 nan 8.270 nan 0.000 0.480 275 I N 4.161 124.737 120.570 0.009 0.000 2.662 275 I HA 0.025 4.195 4.170 0.000 0.000 0.285 275 I C -1.803 174.323 176.117 0.015 0.000 1.161 275 I CA -1.395 59.911 61.300 0.010 0.000 1.415 275 I CB -0.311 37.696 38.000 0.011 0.000 1.385 275 I HN 0.266 nan 8.210 nan 0.000 0.552 276 P HA 0.127 nan 4.420 nan 0.000 0.270 276 P C 0.212 177.532 177.300 0.034 0.000 1.223 276 P CA -0.105 63.006 63.100 0.019 0.000 0.785 276 P CB 0.856 32.559 31.700 0.005 0.000 0.923 277 S N 0.227 115.962 115.700 0.058 0.000 2.397 277 S HA 0.633 5.103 4.470 0.000 0.000 0.261 277 S C -0.244 174.403 174.600 0.079 0.000 1.151 277 S CA -0.304 57.938 58.200 0.071 0.000 1.022 277 S CB -0.243 63.013 63.200 0.095 0.000 1.187 277 S HN 0.503 nan 8.310 nan 0.000 0.473 278 A N 0.492 123.372 122.820 0.100 0.000 2.409 278 A HA 0.497 4.817 4.320 0.000 0.000 0.262 278 A C 0.565 178.249 177.584 0.167 0.000 1.113 278 A CA 0.011 52.111 52.037 0.105 0.000 0.790 278 A CB -0.553 18.503 19.000 0.092 0.000 1.046 278 A HN 1.516 nan 8.150 nan 0.000 0.496 279 V N 1.583 121.566 119.914 0.115 0.000 5.487 279 V HA -0.294 3.826 4.120 0.000 0.000 0.302 279 V C 1.684 177.762 176.094 -0.028 0.000 0.511 279 V CA 1.377 63.733 62.300 0.093 0.000 0.684 279 V CB -2.607 29.338 31.823 0.203 0.000 0.458 279 V HN 2.821 nan 8.190 nan 0.000 1.195 280 G N -2.187 106.598 108.800 -0.024 0.000 2.196 280 G HA2 -0.380 3.580 3.960 0.000 0.000 0.268 280 G HA3 -0.380 3.580 3.960 0.000 0.000 0.268 280 G C -0.008 174.815 174.900 -0.128 0.000 0.975 280 G CA 0.805 45.847 45.100 -0.095 0.000 0.648 280 G HN 0.980 nan 8.290 nan 0.000 0.538 281 Y N 1.441 121.754 120.300 0.021 0.000 2.296 281 Y HA 0.378 4.928 4.550 0.000 0.000 0.343 281 Y C 1.458 177.357 175.900 -0.001 0.000 1.292 281 Y CA -0.019 58.087 58.100 0.010 0.000 1.490 281 Y CB 0.359 38.835 38.460 0.028 0.000 1.359 281 Y HN 0.415 nan 8.280 nan 0.000 0.599 282 Q N 2.933 122.837 119.800 0.173 0.000 2.432 282 Q HA 0.044 4.384 4.340 0.000 0.000 0.264 282 Q C -2.275 173.772 176.000 0.077 0.000 1.035 282 Q CA -1.515 54.337 55.803 0.080 0.000 0.908 282 Q CB 0.609 29.369 28.738 0.037 0.000 1.280 282 Q HN 0.392 nan 8.270 nan 0.000 0.455 283 P HA -0.074 nan 4.420 nan 0.000 0.226 283 P C 0.771 178.094 177.300 0.038 0.000 1.153 283 P CA 1.254 64.380 63.100 0.044 0.000 0.777 283 P CB -0.006 31.713 31.700 0.031 0.000 0.794 284 T N -3.809 110.766 114.554 0.034 0.000 3.206 284 T HA 0.154 4.504 4.350 0.000 0.000 0.253 284 T C 1.411 176.133 174.700 0.037 0.000 1.042 284 T CA -0.360 61.758 62.100 0.032 0.000 0.931 284 T CB -0.774 68.108 68.868 0.023 0.000 1.029 284 T HN -0.158 nan 8.240 nan 0.000 0.564 285 L N 1.950 123.196 121.223 0.039 0.000 1.990 285 L HA -0.006 4.334 4.340 0.000 0.000 0.213 285 L C 2.716 179.621 176.870 0.058 0.000 1.072 285 L CA 2.371 57.230 54.840 0.033 0.000 0.755 285 L CB -1.017 41.050 42.059 0.013 0.000 0.889 285 L HN 0.382 nan 8.230 nan 0.000 0.432 286 A N -1.615 121.244 122.820 0.064 0.000 1.930 286 A HA -0.170 4.150 4.320 0.000 0.000 0.217 286 A C 2.289 179.942 177.584 0.115 0.000 1.175 286 A CA 2.066 54.159 52.037 0.095 0.000 0.627 286 A CB -1.218 17.825 19.000 0.073 0.000 0.815 286 A HN 0.642 nan 8.150 nan 0.000 0.443 287 T N -2.471 112.135 114.554 0.086 0.000 2.942 287 T HA -0.071 4.279 4.350 0.000 0.000 0.265 287 T C 1.281 176.041 174.700 0.100 0.000 1.062 287 T CA 1.285 63.436 62.100 0.084 0.000 1.139 287 T CB -0.369 68.535 68.868 0.060 0.000 0.883 287 T HN 0.303 nan 8.240 nan 0.000 0.468 288 D N 1.269 121.731 120.400 0.103 0.000 2.092 288 D HA -0.037 4.603 4.640 0.000 0.000 0.193 288 D C 1.856 178.320 176.300 0.273 0.000 0.994 288 D CA 1.124 55.212 54.000 0.145 0.000 0.828 288 D CB -0.415 40.410 40.800 0.042 0.000 0.963 288 D HN 0.312 nan 8.370 nan 0.000 0.450 289 M N 0.223 119.968 119.600 0.242 0.000 2.374 289 M HA 0.089 4.569 4.480 0.000 0.000 0.264 289 M C 1.728 178.035 176.300 0.013 0.000 1.067 289 M CA 1.171 56.593 55.300 0.203 0.000 1.103 289 M CB -0.328 32.393 32.600 0.202 0.000 1.402 289 M HN 0.011 nan 8.290 nan 0.000 0.444 290 G N 0.343 109.194 108.800 0.085 0.000 2.484 290 G HA2 -0.165 3.795 3.960 0.000 0.000 0.215 290 G HA3 -0.165 3.795 3.960 0.000 0.000 0.215 290 G C 1.404 176.299 174.900 -0.008 0.000 1.219 290 G CA 1.016 46.151 45.100 0.058 0.000 0.791 290 G HN 0.493 nan 8.290 nan 0.000 0.550 291 L N -0.088 121.157 121.223 0.037 0.000 2.129 291 L HA -0.092 4.248 4.340 0.000 0.000 0.212 291 L C 2.702 179.555 176.870 -0.029 0.000 1.087 291 L CA 0.660 55.519 54.840 0.031 0.000 0.757 291 L CB -0.462 41.648 42.059 0.085 0.000 0.896 291 L HN 0.258 nan 8.230 nan 0.000 0.434 292 L N -0.834 120.340 121.223 -0.082 0.000 2.007 292 L HA -0.150 4.190 4.340 0.000 0.000 0.205 292 L C 2.640 179.366 176.870 -0.240 0.000 1.073 292 L CA 1.685 56.398 54.840 -0.213 0.000 0.744 292 L CB -0.642 41.151 42.059 -0.444 0.000 0.898 292 L HN 0.143 nan 8.230 nan 0.000 0.435 293 Q N 0.052 119.663 119.800 -0.315 0.000 2.084 293 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 293 Q C 2.094 177.965 176.000 -0.214 0.000 0.978 293 Q CA 1.446 57.025 55.803 -0.374 0.000 0.844 293 Q CB -0.409 27.829 28.738 -0.833 0.000 0.898 293 Q HN 0.609 nan 8.270 nan 0.000 0.426 294 E N 0.403 120.518 120.200 -0.142 0.000 2.409 294 E HA -0.125 4.225 4.350 0.000 0.000 0.198 294 E C 1.825 178.400 176.600 -0.043 0.000 1.024 294 E CA 0.442 56.816 56.400 -0.043 0.000 0.861 294 E CB 0.007 29.713 29.700 0.009 0.000 0.788 294 E HN 0.290 nan 8.360 nan 0.000 0.521 295 R N 0.041 120.499 120.500 -0.069 0.000 2.161 295 R HA 0.130 4.470 4.340 0.000 0.000 0.213 295 R C 0.925 177.184 176.300 -0.069 0.000 1.055 295 R CA 0.137 56.202 56.100 -0.059 0.000 0.996 295 R CB 0.158 30.419 30.300 -0.064 0.000 0.901 295 R HN 0.040 nan 8.270 nan 0.000 0.456 296 I N 1.738 122.251 120.570 -0.095 0.000 2.357 296 I HA -0.012 4.158 4.170 0.000 0.000 0.300 296 I C 0.235 176.307 176.117 -0.075 0.000 1.159 296 I CA 0.523 61.764 61.300 -0.098 0.000 1.339 296 I CB 0.411 38.330 38.000 -0.135 0.000 1.458 296 I HN 0.017 nan 8.210 nan 0.000 0.577 297 T N 2.824 117.341 114.554 -0.061 0.000 2.693 297 T HA 0.328 4.678 4.350 0.000 0.000 0.304 297 T C -0.728 173.941 174.700 -0.052 0.000 1.471 297 T CA -0.492 61.577 62.100 -0.052 0.000 0.993 297 T CB 1.583 70.427 68.868 -0.040 0.000 1.554 297 T HN 0.273 nan 8.240 nan 0.000 0.496 298 T N 2.444 116.966 114.554 -0.054 0.000 2.767 298 T HA 0.603 4.953 4.350 0.000 0.000 0.288 298 T C 0.307 174.973 174.700 -0.057 0.000 0.963 298 T CA -0.457 61.610 62.100 -0.056 0.000 1.019 298 T CB 0.907 69.740 68.868 -0.059 0.000 0.923 298 T HN 0.833 nan 8.240 nan 0.000 0.468 299 T N 0.150 114.673 114.554 -0.052 0.000 2.937 299 T HA 0.438 4.788 4.350 0.000 0.000 0.283 299 T C 0.995 175.664 174.700 -0.051 0.000 1.012 299 T CA -1.047 61.022 62.100 -0.052 0.000 0.997 299 T CB 1.260 70.102 68.868 -0.044 0.000 1.136 299 T HN 0.427 nan 8.240 nan 0.000 0.551 300 K N 0.011 120.381 120.400 -0.050 0.000 2.504 300 K HA 0.048 4.368 4.320 0.000 0.000 0.195 300 K C 1.980 178.555 176.600 -0.042 0.000 1.036 300 K CA 0.248 56.508 56.287 -0.046 0.000 0.984 300 K CB 0.069 32.543 32.500 -0.043 0.000 0.788 300 K HN 0.340 nan 8.250 nan 0.000 0.488 301 K N 0.184 120.559 120.400 -0.043 0.000 2.044 301 K HA 0.029 4.349 4.320 0.000 0.000 0.204 301 K C 1.323 177.898 176.600 -0.040 0.000 1.045 301 K CA 1.220 57.481 56.287 -0.043 0.000 0.951 301 K CB 0.294 32.764 32.500 -0.050 0.000 0.738 301 K HN 0.281 nan 8.250 nan 0.000 0.443 302 G N -0.693 108.083 108.800 -0.039 0.000 2.791 302 G HA2 0.311 4.271 3.960 0.000 0.000 0.158 302 G HA3 0.311 4.271 3.960 0.000 0.000 0.158 302 G C -1.329 173.547 174.900 -0.040 0.000 1.193 302 G CA 0.226 45.304 45.100 -0.036 0.000 1.032 302 G HN 0.242 nan 8.290 nan 0.000 0.557 303 S N -1.708 113.972 115.700 -0.034 0.000 2.552 303 S HA 0.609 5.079 4.470 0.000 0.000 0.272 303 S C -1.827 172.754 174.600 -0.031 0.000 1.150 303 S CA -0.556 57.619 58.200 -0.041 0.000 0.849 303 S CB 1.717 64.883 63.200 -0.056 0.000 1.113 303 S HN 1.159 nan 8.310 nan 0.000 0.458 304 V N 2.707 122.596 119.914 -0.040 0.000 2.376 304 V HA 0.568 4.688 4.120 0.000 0.000 0.287 304 V C -0.159 175.885 176.094 -0.082 0.000 1.015 304 V CA -0.285 61.986 62.300 -0.048 0.000 0.834 304 V CB 1.453 33.254 31.823 -0.036 0.000 1.001 304 V HN 1.044 nan 8.190 nan 0.000 0.428 305 T N 3.229 117.722 114.554 -0.101 0.000 2.867 305 T HA 0.461 4.811 4.350 0.000 0.000 0.282 305 T C -0.053 174.522 174.700 -0.209 0.000 1.000 305 T CA -0.335 61.683 62.100 -0.137 0.000 1.042 305 T CB 1.604 70.406 68.868 -0.110 0.000 0.973 305 T HN 0.588 nan 8.240 nan 0.000 0.465 306 S N 1.686 117.242 115.700 -0.239 0.000 2.473 306 S HA 0.562 5.032 4.470 0.000 0.000 0.307 306 S C -0.669 173.725 174.600 -0.343 0.000 1.094 306 S CA -0.682 57.337 58.200 -0.301 0.000 1.070 306 S CB 0.620 63.676 63.200 -0.241 0.000 1.019 306 S HN 0.464 nan 8.310 nan 0.000 0.480 307 V N 6.073 125.727 119.914 -0.434 0.000 2.333 307 V HA 0.418 4.538 4.120 0.000 0.000 0.274 307 V C -0.309 175.697 176.094 -0.148 0.000 1.028 307 V CA -0.439 61.693 62.300 -0.280 0.000 0.851 307 V CB 1.017 32.740 31.823 -0.166 0.000 1.000 307 V HN 0.854 nan 8.190 nan 0.000 0.456 308 Q N 3.405 123.121 119.800 -0.141 0.000 2.341 308 Q HA 0.660 5.000 4.340 0.000 0.000 0.268 308 Q C -0.016 175.909 176.000 -0.126 0.000 1.013 308 Q CA -0.510 55.218 55.803 -0.125 0.000 0.798 308 Q CB 2.122 30.766 28.738 -0.156 0.000 1.253 308 Q HN 0.873 nan 8.270 nan 0.000 0.457 309 A N 2.844 125.626 122.820 -0.064 0.000 2.522 309 A HA 0.341 4.661 4.320 0.000 0.000 0.256 309 A C -0.111 177.394 177.584 -0.131 0.000 1.086 309 A CA -0.159 51.828 52.037 -0.082 0.000 0.763 309 A CB 0.148 19.162 19.000 0.023 0.000 1.024 309 A HN 0.514 nan 8.150 nan 0.000 0.502 310 V N 3.321 123.030 119.914 -0.343 0.000 2.513 310 V HA 0.410 4.530 4.120 0.000 0.000 0.299 310 V C -0.538 175.485 176.094 -0.118 0.000 1.035 310 V CA -0.530 61.585 62.300 -0.309 0.000 0.889 310 V CB 1.322 32.730 31.823 -0.691 0.000 0.988 310 V HN 0.785 nan 8.190 nan 0.000 0.440 311 Y N 3.448 123.703 120.300 -0.075 0.000 2.393 311 Y HA 0.707 5.257 4.550 0.000 0.000 0.341 311 Y C -0.552 175.240 175.900 -0.180 0.000 0.988 311 Y CA -0.989 57.041 58.100 -0.117 0.000 1.078 311 Y CB 2.108 40.469 38.460 -0.165 0.000 1.203 311 Y HN 0.374 nan 8.280 nan 0.000 0.453 312 V N 7.993 127.443 119.914 -0.773 0.000 2.293 312 V HA 0.355 4.475 4.120 0.000 0.000 0.275 312 V C -2.394 173.230 176.094 -0.785 0.000 1.021 312 V CA -2.124 59.860 62.300 -0.526 0.000 0.815 312 V CB 0.839 32.568 31.823 -0.157 0.000 1.025 312 V HN 0.696 nan 8.190 nan 0.000 0.448 313 P HA 0.176 nan 4.420 nan 0.000 0.263 313 P C 0.774 177.967 177.300 -0.178 0.000 1.195 313 P CA 0.817 63.708 63.100 -0.350 0.000 0.762 313 P CB 0.809 32.462 31.700 -0.077 0.000 0.799 314 A N 3.955 126.705 122.820 -0.117 0.000 3.100 314 A HA -0.288 4.032 4.320 0.000 0.000 0.268 314 A C 1.060 178.593 177.584 -0.086 0.000 1.227 314 A CA 1.326 53.327 52.037 -0.059 0.000 0.967 314 A CB -2.507 16.483 19.000 -0.016 0.000 1.066 314 A HN 0.620 nan 8.150 nan 0.000 0.787 315 D N -1.473 118.834 120.400 -0.157 0.000 2.945 315 D HA -0.185 4.455 4.640 0.000 0.000 0.225 315 D C -0.284 175.956 176.300 -0.100 0.000 1.158 315 D CA 1.781 55.702 54.000 -0.132 0.000 0.805 315 D CB -1.039 39.711 40.800 -0.085 0.000 1.098 315 D HN 0.892 nan 8.370 nan 0.000 0.426 316 D N 0.509 120.852 120.400 -0.095 0.000 2.411 316 D HA 0.226 4.866 4.640 0.000 0.000 0.225 316 D C 1.441 177.694 176.300 -0.078 0.000 1.156 316 D CA -0.375 53.584 54.000 -0.069 0.000 0.874 316 D CB 0.375 41.154 40.800 -0.034 0.000 1.034 316 D HN 0.142 nan 8.370 nan 0.000 0.502 317 L N 2.668 123.825 121.223 -0.110 0.000 2.551 317 L HA -0.049 4.291 4.340 0.000 0.000 0.228 317 L C 2.212 178.985 176.870 -0.162 0.000 1.153 317 L CA 1.102 55.840 54.840 -0.170 0.000 0.851 317 L CB -0.181 41.710 42.059 -0.281 0.000 0.959 317 L HN 0.482 nan 8.230 nan 0.000 0.451 318 T N -5.362 109.133 114.554 -0.098 0.000 3.037 318 T HA -0.042 4.308 4.350 0.000 0.000 0.251 318 T C 0.854 175.541 174.700 -0.021 0.000 1.079 318 T CA -0.424 61.636 62.100 -0.067 0.000 1.067 318 T CB -0.167 68.669 68.868 -0.052 0.000 0.948 318 T HN 0.188 nan 8.240 nan 0.000 0.496 319 D N 3.116 123.517 120.400 0.002 0.000 2.583 319 D HA -0.017 4.623 4.640 0.000 0.000 0.232 319 D C -1.480 174.827 176.300 0.013 0.000 1.128 319 D CA -0.999 53.035 54.000 0.056 0.000 0.859 319 D CB 1.297 42.153 40.800 0.093 0.000 1.169 319 D HN 0.046 nan 8.370 nan 0.000 0.481 320 P HA -0.183 nan 4.420 nan 0.000 0.217 320 P C 0.773 177.917 177.300 -0.261 0.000 1.148 320 P CA 1.746 64.754 63.100 -0.153 0.000 0.834 320 P CB 0.149 31.723 31.700 -0.209 0.000 0.783 321 A N 0.232 122.845 122.820 -0.344 0.000 1.832 321 A HA -0.073 4.247 4.320 0.000 0.000 0.214 321 A C -0.065 177.577 177.584 0.098 0.000 1.204 321 A CA 1.849 53.791 52.037 -0.157 0.000 0.606 321 A CB -2.117 16.969 19.000 0.143 0.000 0.849 321 A HN 0.213 nan 8.150 nan 0.000 0.445 322 P HA -0.033 nan 4.420 nan 0.000 0.222 322 P C 1.550 179.023 177.300 0.288 0.000 1.153 322 P CA 1.665 64.928 63.100 0.272 0.000 0.798 322 P CB -0.116 31.734 31.700 0.250 0.000 0.796 323 A N 0.533 123.422 122.820 0.115 0.000 1.873 323 A HA -0.188 4.132 4.320 0.000 0.000 0.218 323 A C 2.338 179.997 177.584 0.125 0.000 1.193 323 A CA 2.813 54.894 52.037 0.074 0.000 0.629 323 A CB -1.958 17.045 19.000 0.005 0.000 0.826 323 A HN 0.209 nan 8.150 nan 0.000 0.447 324 T N -0.365 114.246 114.554 0.095 0.000 2.777 324 T HA -0.096 4.254 4.350 0.000 0.000 0.266 324 T C 2.012 176.828 174.700 0.193 0.000 1.040 324 T CA 1.799 63.966 62.100 0.112 0.000 1.141 324 T CB -0.646 68.268 68.868 0.075 0.000 0.868 324 T HN 0.569 nan 8.240 nan 0.000 0.444 325 T N 1.775 116.455 114.554 0.210 0.000 2.684 325 T HA -0.072 4.278 4.350 0.000 0.000 0.267 325 T C 1.557 176.367 174.700 0.184 0.000 1.036 325 T CA 1.088 63.309 62.100 0.202 0.000 1.148 325 T CB -0.626 68.343 68.868 0.168 0.000 0.863 325 T HN 0.275 nan 8.240 nan 0.000 0.436 326 F N 1.468 121.478 119.950 0.100 0.000 2.333 326 F HA 0.027 4.554 4.527 0.000 0.000 0.300 326 F C 2.463 178.283 175.800 0.034 0.000 1.083 326 F CA 0.560 58.609 58.000 0.081 0.000 1.395 326 F CB -0.370 38.669 39.000 0.065 0.000 1.056 326 F HN 0.142 nan 8.300 nan 0.000 0.529 327 A N -1.410 121.500 122.820 0.151 0.000 2.067 327 A HA -0.164 4.156 4.320 0.000 0.000 0.219 327 A C 1.761 179.249 177.584 -0.159 0.000 1.158 327 A CA 1.397 53.415 52.037 -0.031 0.000 0.661 327 A CB -0.709 18.212 19.000 -0.132 0.000 0.801 327 A HN 0.438 nan 8.150 nan 0.000 0.452 328 H N -1.121 117.965 119.070 0.027 0.000 2.575 328 H HA 0.292 4.848 4.556 0.000 0.000 0.267 328 H C 0.065 175.365 175.328 -0.047 0.000 0.966 328 H CA -0.086 55.955 56.048 -0.012 0.000 1.165 328 H CB 0.099 29.845 29.762 -0.026 0.000 1.433 328 H HN 0.312 nan 8.280 nan 0.000 0.544 329 L N 1.582 122.819 121.223 0.024 0.000 2.397 329 L HA 0.030 4.370 4.340 0.000 0.000 0.271 329 L C 0.943 177.794 176.870 -0.032 0.000 1.148 329 L CA 0.127 54.931 54.840 -0.060 0.000 0.825 329 L CB 0.876 42.817 42.059 -0.196 0.000 1.117 329 L HN 0.074 nan 8.230 nan 0.000 0.456 330 D N 1.644 122.014 120.400 -0.050 0.000 2.417 330 D HA 0.284 4.924 4.640 0.000 0.000 0.207 330 D C 0.251 176.542 176.300 -0.015 0.000 1.075 330 D CA 0.415 54.399 54.000 -0.026 0.000 0.851 330 D CB 1.330 42.109 40.800 -0.034 0.000 0.976 330 D HN 0.581 nan 8.370 nan 0.000 0.505 331 A N 0.301 123.098 122.820 -0.039 0.000 2.601 331 A HA 0.554 4.874 4.320 0.000 0.000 0.291 331 A C -0.776 176.810 177.584 0.003 0.000 1.075 331 A CA -0.626 51.413 52.037 0.004 0.000 0.671 331 A CB 1.416 20.437 19.000 0.035 0.000 1.277 331 A HN -0.029 nan 8.150 nan 0.000 0.417 332 T N -1.412 113.186 114.554 0.074 0.000 2.887 332 T HA 0.771 5.121 4.350 0.000 0.000 0.288 332 T C -0.658 174.150 174.700 0.181 0.000 1.021 332 T CA -0.512 61.674 62.100 0.144 0.000 1.000 332 T CB 1.756 70.693 68.868 0.116 0.000 1.034 332 T HN 0.714 nan 8.240 nan 0.000 0.467 333 T N 2.534 117.227 114.554 0.231 0.000 2.934 333 T HA 0.470 4.820 4.350 0.000 0.000 0.328 333 T C -0.425 174.364 174.700 0.148 0.000 1.068 333 T CA -0.531 61.687 62.100 0.197 0.000 1.018 333 T CB 0.728 69.766 68.868 0.285 0.000 1.009 333 T HN 0.665 nan 8.240 nan 0.000 0.471 334 V N 5.722 125.695 119.914 0.098 0.000 2.348 334 V HA 0.391 4.511 4.120 0.000 0.000 0.270 334 V C 0.195 176.301 176.094 0.020 0.000 1.037 334 V CA -0.776 61.580 62.300 0.095 0.000 0.872 334 V CB 0.550 32.394 31.823 0.036 0.000 1.002 334 V HN 0.732 nan 8.190 nan 0.000 0.464 335 L N 4.368 125.599 121.223 0.013 0.000 2.326 335 L HA 0.649 4.989 4.340 0.000 0.000 0.278 335 L C 0.382 177.267 176.870 0.025 0.000 1.092 335 L CA 0.293 55.121 54.840 -0.019 0.000 0.810 335 L CB 1.606 43.640 42.059 -0.041 0.000 1.153 335 L HN 0.741 nan 8.230 nan 0.000 0.439 336 S N 2.360 118.065 115.700 0.009 0.000 2.572 336 S HA 0.328 4.798 4.470 0.000 0.000 0.274 336 S C 0.394 174.994 174.600 0.000 0.000 1.150 336 S CA -0.837 57.371 58.200 0.013 0.000 0.944 336 S CB 1.785 64.988 63.200 0.004 0.000 1.071 336 S HN 0.716 nan 8.310 nan 0.000 0.479 337 R N 2.716 123.223 120.500 0.012 0.000 2.241 337 R HA 0.015 4.355 4.340 0.000 0.000 0.224 337 R C 1.853 178.147 176.300 -0.011 0.000 1.101 337 R CA 1.711 57.815 56.100 0.006 0.000 0.995 337 R CB -0.677 29.635 30.300 0.020 0.000 0.870 337 R HN 0.811 nan 8.270 nan 0.000 0.463 338 G N 0.100 108.893 108.800 -0.012 0.000 2.511 338 G HA2 -0.091 3.869 3.960 0.000 0.000 0.217 338 G HA3 -0.091 3.869 3.960 0.000 0.000 0.217 338 G C 1.210 176.093 174.900 -0.028 0.000 1.133 338 G CA 0.144 45.233 45.100 -0.018 0.000 0.792 338 G HN 0.169 nan 8.290 nan 0.000 0.539 339 I N 1.643 122.189 120.570 -0.040 0.000 2.628 339 I HA -0.033 4.137 4.170 0.000 0.000 0.255 339 I C 2.984 179.024 176.117 -0.128 0.000 1.119 339 I CA 1.409 62.675 61.300 -0.058 0.000 1.448 339 I CB -0.927 37.045 38.000 -0.047 0.000 1.133 339 I HN 0.301 nan 8.210 nan 0.000 0.438 340 S N 0.885 116.488 115.700 -0.161 0.000 2.399 340 S HA -0.163 4.307 4.470 0.000 0.000 0.231 340 S C 1.737 176.214 174.600 -0.204 0.000 1.022 340 S CA 1.112 59.128 58.200 -0.305 0.000 0.983 340 S CB -0.494 62.605 63.200 -0.167 0.000 0.803 340 S HN 0.458 nan 8.310 nan 0.000 0.480 341 E N 0.929 121.079 120.200 -0.084 0.000 2.150 341 E HA 0.055 4.405 4.350 0.000 0.000 0.193 341 E C 1.780 178.362 176.600 -0.030 0.000 0.985 341 E CA 0.942 57.324 56.400 -0.031 0.000 0.814 341 E CB -0.277 29.417 29.700 -0.011 0.000 0.752 341 E HN 0.559 nan 8.360 nan 0.000 0.466 342 L N -0.610 120.587 121.223 -0.044 0.000 2.551 342 L HA 0.019 4.359 4.340 0.000 0.000 0.228 342 L C 1.439 178.295 176.870 -0.023 0.000 1.153 342 L CA 0.664 55.489 54.840 -0.023 0.000 0.851 342 L CB 0.031 42.087 42.059 -0.005 0.000 0.959 342 L HN 0.316 nan 8.230 nan 0.000 0.451 343 G N -0.291 108.477 108.800 -0.053 0.000 2.168 343 G HA2 -0.178 3.782 3.960 0.000 0.000 0.197 343 G HA3 -0.178 3.782 3.960 0.000 0.000 0.197 343 G C 0.051 174.978 174.900 0.046 0.000 0.997 343 G CA -0.660 44.459 45.100 0.032 0.000 0.658 343 G HN 0.078 nan 8.290 nan 0.000 0.513 344 I N 1.580 122.039 120.570 -0.186 0.000 2.307 344 I HA 0.506 4.676 4.170 0.000 0.000 0.289 344 I C -0.360 175.538 176.117 -0.365 0.000 1.021 344 I CA -1.400 59.845 61.300 -0.092 0.000 1.224 344 I CB -0.037 37.961 38.000 -0.003 0.000 1.376 344 I HN 0.082 nan 8.210 nan 0.000 0.470 345 Y N 7.085 127.401 120.300 0.028 0.000 2.376 345 Y HA 0.460 5.010 4.550 0.000 0.000 0.340 345 Y C -2.058 173.735 175.900 -0.179 0.000 0.965 345 Y CA -2.627 55.431 58.100 -0.070 0.000 1.078 345 Y CB 1.582 39.971 38.460 -0.117 0.000 1.193 345 Y HN 0.410 nan 8.280 nan 0.000 0.452 346 P HA 0.043 nan 4.420 nan 0.000 0.270 346 P C -0.260 177.087 177.300 0.079 0.000 1.223 346 P CA -0.173 63.024 63.100 0.163 0.000 0.785 346 P CB 0.952 32.915 31.700 0.438 0.000 0.923 347 A N 2.402 125.252 122.820 0.049 0.000 2.728 347 A HA 0.215 4.536 4.320 0.000 0.000 0.258 347 A C 0.520 178.085 177.584 -0.032 0.000 1.454 347 A CA -0.248 51.760 52.037 -0.048 0.000 1.146 347 A CB -1.187 17.782 19.000 -0.052 0.000 0.985 347 A HN 0.346 nan 8.150 nan 0.000 0.603 348 V N 1.027 120.935 119.914 -0.011 0.000 2.614 348 V HA 0.050 4.170 4.120 0.000 0.000 0.291 348 V C 0.388 176.483 176.094 0.002 0.000 1.049 348 V CA -0.424 61.866 62.300 -0.016 0.000 1.038 348 V CB 1.235 33.074 31.823 0.026 0.000 0.980 348 V HN 0.554 nan 8.190 nan 0.000 0.481 349 D N 7.033 127.434 120.400 0.001 0.000 2.316 349 D HA 0.211 4.851 4.640 0.000 0.000 0.245 349 D C -1.537 174.770 176.300 0.011 0.000 1.171 349 D CA -1.756 52.247 54.000 0.005 0.000 0.856 349 D CB 2.078 42.877 40.800 -0.002 0.000 1.090 349 D HN 0.293 nan 8.370 nan 0.000 0.476 350 P HA 0.015 nan 4.420 nan 0.000 0.241 350 P C 1.297 178.597 177.300 0.001 0.000 1.191 350 P CA 0.352 63.456 63.100 0.007 0.000 0.771 350 P CB 0.629 32.335 31.700 0.010 0.000 0.929 351 L N -0.999 120.225 121.223 0.002 0.000 2.388 351 L HA 0.132 4.472 4.340 0.000 0.000 0.209 351 L C 1.795 178.660 176.870 -0.008 0.000 1.061 351 L CA 0.714 55.551 54.840 -0.004 0.000 0.834 351 L CB -0.594 41.463 42.059 -0.004 0.000 1.029 351 L HN -0.177 nan 8.230 nan 0.000 0.473 352 D N 0.085 120.478 120.400 -0.012 0.000 2.194 352 D HA -0.048 4.592 4.640 0.000 0.000 0.204 352 D C 0.794 177.085 176.300 -0.015 0.000 0.964 352 D CA 0.622 54.606 54.000 -0.026 0.000 0.846 352 D CB 0.091 40.867 40.800 -0.041 0.000 0.962 352 D HN -0.004 nan 8.370 nan 0.000 0.490 353 S N 1.768 117.474 115.700 0.011 0.000 2.437 353 S HA 0.120 4.590 4.470 0.000 0.000 0.304 353 S C 0.353 174.981 174.600 0.047 0.000 1.167 353 S CA -0.113 58.113 58.200 0.043 0.000 1.106 353 S CB 0.509 63.750 63.200 0.068 0.000 1.099 353 S HN 0.033 nan 8.310 nan 0.000 0.524 354 K N 1.721 122.151 120.400 0.050 0.000 2.118 354 K HA 0.559 4.879 4.320 0.000 0.000 0.254 354 K C -0.175 176.468 176.600 0.072 0.000 0.961 354 K CA -0.560 55.759 56.287 0.053 0.000 0.876 354 K CB 1.844 34.371 32.500 0.046 0.000 1.077 354 K HN 0.466 nan 8.250 nan 0.000 0.440 355 S N 0.877 116.617 115.700 0.068 0.000 2.571 355 S HA 0.232 4.702 4.470 0.000 0.000 0.284 355 S C 0.496 175.130 174.600 0.056 0.000 1.128 355 S CA -0.729 57.513 58.200 0.070 0.000 0.970 355 S CB 1.622 64.872 63.200 0.083 0.000 1.039 355 S HN 0.678 nan 8.310 nan 0.000 0.485 356 R N 2.944 123.471 120.500 0.046 0.000 2.148 356 R HA 0.160 4.500 4.340 0.000 0.000 0.223 356 R C 0.878 177.195 176.300 0.029 0.000 1.088 356 R CA 0.878 57.000 56.100 0.037 0.000 0.985 356 R CB -0.175 30.140 30.300 0.026 0.000 0.880 356 R HN 0.708 nan 8.270 nan 0.000 0.451 357 L N 1.377 122.616 121.223 0.026 0.000 2.653 357 L HA 0.049 4.389 4.340 0.000 0.000 0.232 357 L C 0.525 177.396 176.870 0.002 0.000 1.169 357 L CA -0.206 54.639 54.840 0.008 0.000 0.951 357 L CB 0.189 42.249 42.059 0.002 0.000 1.181 357 L HN 0.059 nan 8.230 nan 0.000 0.460 358 L N 0.593 121.840 121.223 0.041 0.000 2.998 358 L HA 0.272 4.612 4.340 0.000 0.000 0.234 358 L C -0.220 176.775 176.870 0.209 0.000 1.350 358 L CA 0.217 55.106 54.840 0.082 0.000 1.202 358 L CB -0.408 41.698 42.059 0.078 0.000 1.583 358 L HN 0.016 nan 8.230 nan 0.000 0.456 359 D N -0.643 119.812 120.400 0.093 0.000 2.248 359 D HA 0.468 5.108 4.640 0.000 0.000 0.246 359 D C 0.996 177.252 176.300 -0.074 0.000 1.027 359 D CA 0.113 54.106 54.000 -0.011 0.000 0.853 359 D CB 2.216 42.989 40.800 -0.044 0.000 1.243 359 D HN 0.131 nan 8.370 nan 0.000 0.462 360 A N 2.889 125.536 122.820 -0.288 0.000 2.067 360 A HA 0.090 4.410 4.320 0.000 0.000 0.219 360 A C 1.855 179.381 177.584 -0.097 0.000 1.158 360 A CA 1.539 53.466 52.037 -0.183 0.000 0.661 360 A CB -0.584 18.217 19.000 -0.330 0.000 0.801 360 A HN 0.602 nan 8.150 nan 0.000 0.452 361 A N -0.985 121.771 122.820 -0.107 0.000 2.239 361 A HA 0.300 4.620 4.320 0.000 0.000 0.209 361 A C 1.678 179.235 177.584 -0.045 0.000 1.171 361 A CA 1.444 53.442 52.037 -0.066 0.000 0.768 361 A CB -0.216 18.745 19.000 -0.066 0.000 0.790 361 A HN 0.344 nan 8.150 nan 0.000 0.478 362 V N -1.299 118.588 119.914 -0.044 0.000 2.950 362 V HA -0.050 4.070 4.120 0.000 0.000 0.231 362 V C 2.296 178.367 176.094 -0.039 0.000 1.205 362 V CA 1.104 63.381 62.300 -0.038 0.000 1.239 362 V CB -0.033 31.766 31.823 -0.040 0.000 1.050 362 V HN 0.370 nan 8.190 nan 0.000 0.498 363 V N -0.645 119.232 119.914 -0.062 0.000 2.871 363 V HA 0.593 4.713 4.120 0.000 0.000 0.256 363 V C 0.980 177.088 176.094 0.023 0.000 1.082 363 V CA 0.780 63.026 62.300 -0.091 0.000 1.105 363 V CB -1.069 30.531 31.823 -0.372 0.000 0.713 363 V HN 1.029 nan 8.190 nan 0.000 0.473 364 G N -0.196 108.624 108.800 0.034 0.000 2.619 364 G HA2 -0.128 3.832 3.960 0.000 0.000 0.686 364 G HA3 -0.128 3.832 3.960 0.000 0.000 0.686 364 G C -0.218 174.745 174.900 0.105 0.000 1.256 364 G CA 0.218 45.358 45.100 0.066 0.000 0.826 364 G HN 0.387 nan 8.290 nan 0.000 0.619 365 Q N -0.230 119.624 119.800 0.089 0.000 2.016 365 Q HA 0.025 4.365 4.340 0.000 0.000 0.200 365 Q C 2.401 178.505 176.000 0.174 0.000 0.978 365 Q CA 2.659 58.530 55.803 0.113 0.000 0.833 365 Q CB -0.363 28.417 28.738 0.070 0.000 0.895 365 Q HN 0.742 nan 8.270 nan 0.000 0.427 366 E N -0.766 119.518 120.200 0.141 0.000 2.048 366 E HA -0.294 4.056 4.350 0.000 0.000 0.202 366 E C 1.974 178.676 176.600 0.169 0.000 1.021 366 E CA 1.439 57.919 56.400 0.133 0.000 0.825 366 E CB -0.337 29.423 29.700 0.100 0.000 0.756 366 E HN 0.492 nan 8.360 nan 0.000 0.454 367 H N -0.170 118.954 119.070 0.089 0.000 2.289 367 H HA -0.221 4.335 4.556 0.000 0.000 0.296 367 H C 2.027 177.405 175.328 0.084 0.000 1.091 367 H CA 2.179 58.273 56.048 0.076 0.000 1.274 367 H CB -0.696 29.109 29.762 0.071 0.000 1.364 367 H HN 0.281 nan 8.280 nan 0.000 0.490 368 Y N 1.595 122.031 120.300 0.228 0.000 2.081 368 Y HA -0.248 4.302 4.550 0.000 0.000 0.280 368 Y C 2.444 178.406 175.900 0.103 0.000 1.163 368 Y CA 2.282 60.460 58.100 0.130 0.000 1.135 368 Y CB -0.469 38.025 38.460 0.057 0.000 0.970 368 Y HN 0.202 nan 8.280 nan 0.000 0.498 369 D N -0.553 119.957 120.400 0.182 0.000 2.104 369 D HA -0.190 4.450 4.640 0.000 0.000 0.194 369 D C 2.392 178.685 176.300 -0.011 0.000 0.994 369 D CA 1.812 55.856 54.000 0.073 0.000 0.830 369 D CB -0.449 40.429 40.800 0.131 0.000 0.959 369 D HN 0.311 nan 8.370 nan 0.000 0.452 370 V N 1.493 121.418 119.914 0.018 0.000 2.237 370 V HA -0.271 3.849 4.120 0.000 0.000 0.245 370 V C 2.586 178.642 176.094 -0.063 0.000 1.046 370 V CA 1.996 64.294 62.300 -0.004 0.000 1.007 370 V CB -1.048 30.772 31.823 -0.004 0.000 0.638 370 V HN 0.197 nan 8.190 nan 0.000 0.445 371 A N 0.065 122.837 122.820 -0.080 0.000 1.884 371 A HA -0.301 4.019 4.320 0.000 0.000 0.219 371 A C 2.474 179.957 177.584 -0.169 0.000 1.197 371 A CA 2.832 54.802 52.037 -0.112 0.000 0.637 371 A CB -1.065 17.938 19.000 0.005 0.000 0.827 371 A HN 0.542 nan 8.150 nan 0.000 0.450 372 S N -0.579 114.953 115.700 -0.280 0.000 2.359 372 S HA -0.213 4.257 4.470 0.000 0.000 0.223 372 S C 2.016 176.534 174.600 -0.137 0.000 1.039 372 S CA 1.739 59.760 58.200 -0.298 0.000 1.042 372 S CB -0.326 62.593 63.200 -0.469 0.000 0.915 372 S HN 0.652 nan 8.310 nan 0.000 0.439 373 K N 0.801 121.148 120.400 -0.088 0.000 2.211 373 K HA -0.024 4.296 4.320 0.000 0.000 0.203 373 K C 1.886 178.478 176.600 -0.014 0.000 1.050 373 K CA 0.764 57.034 56.287 -0.029 0.000 0.945 373 K CB -0.130 32.371 32.500 0.002 0.000 0.732 373 K HN 0.168 nan 8.250 nan 0.000 0.451 374 V N 1.373 121.268 119.914 -0.031 0.000 2.427 374 V HA -0.229 3.891 4.120 0.000 0.000 0.248 374 V C 2.131 178.211 176.094 -0.024 0.000 1.051 374 V CA 1.600 63.888 62.300 -0.020 0.000 1.048 374 V CB -0.317 31.447 31.823 -0.098 0.000 0.666 374 V HN 0.403 nan 8.190 nan 0.000 0.456 375 Q N -0.492 119.279 119.800 -0.049 0.000 2.119 375 Q HA -0.232 4.108 4.340 0.000 0.000 0.201 375 Q C 2.343 178.339 176.000 -0.007 0.000 0.972 375 Q CA 1.658 57.441 55.803 -0.033 0.000 0.847 375 Q CB -0.152 28.554 28.738 -0.053 0.000 0.903 375 Q HN 0.657 nan 8.270 nan 0.000 0.433 376 E N -0.002 120.193 120.200 -0.009 0.000 2.152 376 E HA -0.135 4.215 4.350 0.000 0.000 0.192 376 E C 1.587 178.204 176.600 0.028 0.000 0.983 376 E CA 1.356 57.760 56.400 0.007 0.000 0.818 376 E CB 0.255 29.956 29.700 0.002 0.000 0.758 376 E HN 0.339 nan 8.360 nan 0.000 0.467 377 T N 1.682 116.255 114.554 0.031 0.000 2.668 377 T HA -0.130 4.220 4.350 0.000 0.000 0.262 377 T C 2.019 176.772 174.700 0.089 0.000 1.045 377 T CA 1.072 63.200 62.100 0.046 0.000 1.152 377 T CB -0.365 68.521 68.868 0.030 0.000 0.864 377 T HN 0.146 nan 8.240 nan 0.000 0.419 378 L N 0.868 122.146 121.223 0.090 0.000 2.187 378 L HA -0.147 4.193 4.340 0.000 0.000 0.213 378 L C 2.878 179.828 176.870 0.134 0.000 1.100 378 L CA 1.092 56.024 54.840 0.153 0.000 0.765 378 L CB -0.507 41.618 42.059 0.109 0.000 0.904 378 L HN 0.242 nan 8.230 nan 0.000 0.437 379 Q N 0.133 119.977 119.800 0.073 0.000 2.049 379 Q HA -0.158 4.182 4.340 0.000 0.000 0.198 379 Q C 2.249 178.274 176.000 0.041 0.000 0.971 379 Q CA 2.324 58.150 55.803 0.040 0.000 0.833 379 Q CB -0.217 28.532 28.738 0.020 0.000 0.896 379 Q HN 0.543 nan 8.270 nan 0.000 0.434 380 T N -2.031 112.560 114.554 0.061 0.000 3.023 380 T HA -0.120 4.230 4.350 0.000 0.000 0.266 380 T C 1.645 176.403 174.700 0.097 0.000 1.093 380 T CA 0.956 63.091 62.100 0.059 0.000 1.129 380 T CB -0.601 68.299 68.868 0.053 0.000 0.899 380 T HN 0.380 nan 8.240 nan 0.000 0.491 381 Y N 2.315 122.613 120.300 -0.004 0.000 2.242 381 Y HA 0.137 4.687 4.550 0.000 0.000 0.291 381 Y C 2.392 178.288 175.900 -0.006 0.000 1.137 381 Y CA 1.079 59.177 58.100 -0.004 0.000 1.181 381 Y CB -0.324 38.134 38.460 -0.003 0.000 0.989 381 Y HN 0.117 nan 8.280 nan 0.000 0.527 382 K N -0.044 120.279 120.400 -0.129 0.000 2.097 382 K HA -0.167 4.153 4.320 0.000 0.000 0.206 382 K C 2.226 178.731 176.600 -0.158 0.000 1.049 382 K CA 1.755 57.921 56.287 -0.201 0.000 0.933 382 K CB -0.260 32.191 32.500 -0.081 0.000 0.717 382 K HN 0.507 nan 8.250 nan 0.000 0.442 383 S N 0.413 116.063 115.700 -0.084 0.000 2.414 383 S HA -0.037 4.433 4.470 0.000 0.000 0.227 383 S C 1.992 176.555 174.600 -0.062 0.000 1.022 383 S CA 0.449 58.614 58.200 -0.059 0.000 0.958 383 S CB -0.322 62.863 63.200 -0.026 0.000 0.797 383 S HN 0.293 nan 8.310 nan 0.000 0.493 384 L N 1.071 122.258 121.223 -0.060 0.000 2.313 384 L HA 0.007 4.347 4.340 0.000 0.000 0.214 384 L C 2.835 179.659 176.870 -0.076 0.000 1.119 384 L CA 0.477 55.295 54.840 -0.037 0.000 0.809 384 L CB -0.568 41.507 42.059 0.027 0.000 0.933 384 L HN 0.288 nan 8.230 nan 0.000 0.449 385 Q N 0.567 120.264 119.800 -0.172 0.000 2.197 385 Q HA -0.261 4.079 4.340 0.000 0.000 0.211 385 Q C 1.591 177.534 176.000 -0.095 0.000 0.993 385 Q CA 1.965 57.659 55.803 -0.182 0.000 0.883 385 Q CB -0.449 28.143 28.738 -0.244 0.000 0.916 385 Q HN 0.607 nan 8.270 nan 0.000 0.418 386 D N 0.705 121.058 120.400 -0.078 0.000 2.084 386 D HA -0.130 4.510 4.640 0.000 0.000 0.194 386 D C 2.099 178.379 176.300 -0.034 0.000 0.990 386 D CA 1.350 55.319 54.000 -0.051 0.000 0.826 386 D CB -0.509 40.264 40.800 -0.044 0.000 0.971 386 D HN 0.518 nan 8.370 nan 0.000 0.453 387 I N -1.767 118.787 120.570 -0.027 0.000 2.761 387 I HA -0.064 4.106 4.170 0.000 0.000 0.261 387 I C 1.643 177.753 176.117 -0.010 0.000 1.198 387 I CA 0.417 61.708 61.300 -0.015 0.000 1.482 387 I CB -0.152 37.843 38.000 -0.009 0.000 1.100 387 I HN -0.173 nan 8.210 nan 0.000 0.445 388 I N 2.611 123.174 120.570 -0.013 0.000 2.315 388 I HA -0.158 4.012 4.170 0.000 0.000 0.248 388 I C 2.895 179.007 176.117 -0.008 0.000 1.117 388 I CA 1.468 62.767 61.300 -0.003 0.000 1.404 388 I CB -1.392 36.611 38.000 0.005 0.000 1.071 388 I HN 0.321 nan 8.210 nan 0.000 0.419 389 A N 0.086 122.895 122.820 -0.019 0.000 2.066 389 A HA -0.040 4.280 4.320 0.000 0.000 0.218 389 A C 2.266 179.842 177.584 -0.013 0.000 1.157 389 A CA 1.103 53.129 52.037 -0.018 0.000 0.670 389 A CB -0.315 18.669 19.000 -0.027 0.000 0.804 389 A HN 0.421 nan 8.150 nan 0.000 0.453 390 I N -1.927 118.635 120.570 -0.012 0.000 3.194 390 I HA 0.069 4.239 4.170 0.000 0.000 0.271 390 I C 1.860 177.973 176.117 -0.006 0.000 1.150 390 I CA 0.436 61.731 61.300 -0.009 0.000 1.440 390 I CB -0.060 37.934 38.000 -0.010 0.000 1.276 390 I HN 0.123 nan 8.210 nan 0.000 0.457 391 L N 0.552 121.772 121.223 -0.004 0.000 2.463 391 L HA 0.395 4.735 4.340 0.000 0.000 0.219 391 L C 0.926 177.796 176.870 0.001 0.000 1.088 391 L CA 0.234 55.073 54.840 -0.002 0.000 0.849 391 L CB -0.329 41.730 42.059 -0.001 0.000 1.012 391 L HN 0.405 nan 8.230 nan 0.000 0.468 392 G N -0.008 108.793 108.800 0.002 0.000 2.733 392 G HA2 -0.259 3.701 3.960 0.000 0.000 0.686 392 G HA3 -0.259 3.701 3.960 0.000 0.000 0.686 392 G C 0.082 174.987 174.900 0.009 0.000 1.373 392 G CA -0.407 44.697 45.100 0.005 0.000 0.838 392 G HN 0.012 nan 8.290 nan 0.000 0.588 393 M N 0.478 120.086 119.600 0.013 0.000 2.740 393 M HA 0.019 4.499 4.480 0.000 0.000 0.230 393 M C 1.092 177.400 176.300 0.013 0.000 1.100 393 M CA 1.009 56.320 55.300 0.018 0.000 1.047 393 M CB -0.287 32.326 32.600 0.021 0.000 1.652 393 M HN 0.506 nan 8.290 nan 0.000 0.528 394 D N 0.177 120.583 120.400 0.009 0.000 2.327 394 D HA -0.024 4.616 4.640 0.000 0.000 0.205 394 D C 1.183 177.487 176.300 0.007 0.000 0.989 394 D CA 0.691 54.695 54.000 0.007 0.000 0.873 394 D CB 0.265 41.068 40.800 0.005 0.000 0.955 394 D HN 0.217 nan 8.370 nan 0.000 0.515 395 E N 0.354 120.558 120.200 0.007 0.000 2.368 395 E HA 0.133 4.483 4.350 0.000 0.000 0.188 395 E C 0.217 176.823 176.600 0.009 0.000 1.061 395 E CA -0.035 56.369 56.400 0.006 0.000 0.933 395 E CB 0.562 30.265 29.700 0.004 0.000 1.091 395 E HN 0.324 nan 8.360 nan 0.000 0.458 396 L N 1.155 122.385 121.223 0.011 0.000 2.331 396 L HA 0.233 4.573 4.340 0.000 0.000 0.275 396 L C 0.777 177.654 176.870 0.012 0.000 1.022 396 L CA -0.669 54.179 54.840 0.015 0.000 0.812 396 L CB 1.576 43.647 42.059 0.021 0.000 1.257 396 L HN -0.005 nan 8.230 nan 0.000 0.435 397 S N 0.318 116.025 115.700 0.012 0.000 2.614 397 S HA 0.135 4.605 4.470 0.000 0.000 0.265 397 S C 0.819 175.425 174.600 0.009 0.000 1.303 397 S CA -0.751 57.455 58.200 0.010 0.000 1.000 397 S CB 1.158 64.364 63.200 0.010 0.000 0.935 397 S HN 0.590 nan 8.310 nan 0.000 0.551 398 E N 0.391 120.595 120.200 0.007 0.000 2.171 398 E HA -0.230 4.120 4.350 0.000 0.000 0.197 398 E C 1.837 178.441 176.600 0.006 0.000 0.997 398 E CA 1.394 57.797 56.400 0.005 0.000 0.810 398 E CB -0.148 29.555 29.700 0.004 0.000 0.738 398 E HN 0.815 nan 8.360 nan 0.000 0.467 399 Q N -0.030 119.775 119.800 0.008 0.000 2.204 399 Q HA -0.092 4.248 4.340 0.000 0.000 0.198 399 Q C 1.507 177.514 176.000 0.011 0.000 0.946 399 Q CA 0.530 56.338 55.803 0.009 0.000 0.859 399 Q CB 0.363 29.107 28.738 0.010 0.000 0.946 399 Q HN 0.112 nan 8.270 nan 0.000 0.474 400 D N 1.170 121.579 120.400 0.015 0.000 2.084 400 D HA -0.168 4.472 4.640 0.000 0.000 0.196 400 D C 1.613 177.927 176.300 0.024 0.000 0.985 400 D CA 1.513 55.527 54.000 0.023 0.000 0.826 400 D CB -0.016 40.799 40.800 0.025 0.000 0.978 400 D HN 0.369 nan 8.370 nan 0.000 0.456 401 K N 0.433 120.843 120.400 0.018 0.000 2.442 401 K HA -0.067 4.253 4.320 0.000 0.000 0.198 401 K C 1.941 178.540 176.600 -0.002 0.000 1.042 401 K CA 0.525 56.820 56.287 0.014 0.000 0.958 401 K CB -0.008 32.499 32.500 0.012 0.000 0.766 401 K HN 0.048 nan 8.250 nan 0.000 0.474 402 L N 2.036 123.257 121.223 -0.004 0.000 2.102 402 L HA -0.011 4.329 4.340 0.000 0.000 0.202 402 L C 1.833 178.686 176.870 -0.028 0.000 1.076 402 L CA 1.815 56.646 54.840 -0.015 0.000 0.761 402 L CB -0.501 41.553 42.059 -0.008 0.000 0.921 402 L HN 0.357 nan 8.230 nan 0.000 0.444 403 T N -3.471 111.075 114.554 -0.015 0.000 3.160 403 T HA 0.012 4.362 4.350 0.000 0.000 0.257 403 T C 1.638 176.314 174.700 -0.039 0.000 1.147 403 T CA 0.788 62.876 62.100 -0.020 0.000 1.064 403 T CB -0.452 68.420 68.868 0.006 0.000 0.949 403 T HN 0.134 nan 8.240 nan 0.000 0.526 404 V N 1.022 120.910 119.914 -0.043 0.000 2.492 404 V HA 0.013 4.133 4.120 0.000 0.000 0.241 404 V C 2.720 178.672 176.094 -0.237 0.000 1.041 404 V CA 1.166 63.404 62.300 -0.103 0.000 1.057 404 V CB -0.239 31.610 31.823 0.043 0.000 0.711 404 V HN 0.476 nan 8.190 nan 0.000 0.468 405 E N 0.359 120.479 120.200 -0.134 0.000 2.085 405 E HA -0.260 4.090 4.350 0.000 0.000 0.194 405 E C 2.454 178.945 176.600 -0.182 0.000 0.994 405 E CA 1.437 57.755 56.400 -0.135 0.000 0.801 405 E CB -0.004 29.652 29.700 -0.073 0.000 0.743 405 E HN 0.427 nan 8.360 nan 0.000 0.453 406 R N -0.296 120.109 120.500 -0.158 0.000 2.075 406 R HA -0.081 4.259 4.340 0.000 0.000 0.232 406 R C 2.409 178.581 176.300 -0.215 0.000 1.126 406 R CA 0.985 56.984 56.100 -0.168 0.000 0.963 406 R CB -0.274 29.972 30.300 -0.090 0.000 0.858 406 R HN 0.162 nan 8.270 nan 0.000 0.435 407 A N 1.196 123.872 122.820 -0.239 0.000 1.877 407 A HA -0.183 4.137 4.320 0.000 0.000 0.216 407 A C 2.122 179.485 177.584 -0.368 0.000 1.186 407 A CA 1.232 53.103 52.037 -0.277 0.000 0.620 407 A CB -0.458 18.331 19.000 -0.352 0.000 0.822 407 A HN 0.222 nan 8.150 nan 0.000 0.443 408 R N -0.302 119.883 120.500 -0.525 0.000 2.103 408 R HA -0.181 4.159 4.340 0.000 0.000 0.242 408 R C 2.231 178.391 176.300 -0.234 0.000 1.142 408 R CA 1.997 57.866 56.100 -0.385 0.000 0.960 408 R CB -0.266 29.845 30.300 -0.316 0.000 0.858 408 R HN 0.564 nan 8.270 nan 0.000 0.439 409 K N 0.096 120.298 120.400 -0.330 0.000 2.025 409 K HA -0.078 4.242 4.320 0.000 0.000 0.207 409 K C 2.094 178.432 176.600 -0.437 0.000 1.049 409 K CA 1.211 57.160 56.287 -0.563 0.000 0.933 409 K CB -0.132 31.746 32.500 -1.037 0.000 0.714 409 K HN 0.118 nan 8.250 nan 0.000 0.438 410 I N 1.475 121.903 120.570 -0.237 0.000 2.163 410 I HA -0.350 3.820 4.170 0.000 0.000 0.243 410 I C 2.837 179.091 176.117 0.229 0.000 1.085 410 I CA 1.403 62.774 61.300 0.118 0.000 1.347 410 I CB -0.272 37.845 38.000 0.195 0.000 1.044 410 I HN 0.284 nan 8.210 nan 0.000 0.408 411 Q N 0.798 120.655 119.800 0.095 0.000 2.152 411 Q HA -0.241 4.099 4.340 0.000 0.000 0.206 411 Q C 2.348 178.453 176.000 0.175 0.000 0.985 411 Q CA 1.631 57.509 55.803 0.125 0.000 0.863 411 Q CB 0.033 28.822 28.738 0.085 0.000 0.904 411 Q HN 0.447 nan 8.270 nan 0.000 0.422 412 R N -0.924 119.676 120.500 0.167 0.000 2.153 412 R HA -0.069 4.271 4.340 0.000 0.000 0.218 412 R C 1.988 178.522 176.300 0.390 0.000 1.072 412 R CA 0.609 56.879 56.100 0.283 0.000 0.990 412 R CB -0.125 30.332 30.300 0.262 0.000 0.889 412 R HN 0.253 nan 8.270 nan 0.000 0.452 413 F N 1.392 121.427 119.950 0.141 0.000 2.456 413 F HA 0.045 4.572 4.527 0.000 0.000 0.298 413 F C 1.636 177.589 175.800 0.255 0.000 1.104 413 F CA 0.626 58.702 58.000 0.127 0.000 1.435 413 F CB -0.121 38.785 39.000 -0.156 0.000 1.078 413 F HN -0.118 nan 8.300 nan 0.000 0.546 414 L N -0.238 121.216 121.223 0.386 0.000 2.376 414 L HA -0.057 4.283 4.340 0.000 0.000 0.219 414 L C 1.468 178.420 176.870 0.137 0.000 1.133 414 L CA 0.471 55.463 54.840 0.252 0.000 0.816 414 L CB -0.984 41.187 42.059 0.186 0.000 0.933 414 L HN 0.079 nan 8.230 nan 0.000 0.449 415 S N -0.170 115.618 115.700 0.147 0.000 2.593 415 S HA 0.310 4.780 4.470 0.000 0.000 0.269 415 S C -0.287 174.308 174.600 -0.008 0.000 1.334 415 S CA -0.464 57.772 58.200 0.061 0.000 1.015 415 S CB 1.666 64.903 63.200 0.062 0.000 0.912 415 S HN 0.306 nan 8.310 nan 0.000 0.541 416 Q N 0.847 120.589 119.800 -0.096 0.000 2.378 416 Q HA 0.411 4.751 4.340 0.000 0.000 0.262 416 Q C -3.099 172.752 176.000 -0.249 0.000 0.978 416 Q CA -1.743 53.998 55.803 -0.104 0.000 0.918 416 Q CB 2.337 31.084 28.738 0.016 0.000 1.415 416 Q HN 0.577 nan 8.270 nan 0.000 0.409 417 P HA 0.321 nan 4.420 nan 0.000 0.284 417 P C -1.124 176.213 177.300 0.060 0.000 1.253 417 P CA -0.249 62.768 63.100 -0.138 0.000 0.800 417 P CB 0.533 32.187 31.700 -0.077 0.000 0.961 418 F N 0.728 120.675 119.950 -0.005 0.000 2.421 418 F HA 0.426 4.953 4.527 0.000 0.000 0.337 418 F C 1.683 177.470 175.800 -0.022 0.000 1.105 418 F CA -1.389 56.606 58.000 -0.008 0.000 1.049 418 F CB 0.668 39.676 39.000 0.014 0.000 1.139 418 F HN 0.396 nan 8.300 nan 0.000 0.479 419 A N 2.551 125.462 122.820 0.153 0.000 1.908 419 A HA -0.132 4.188 4.320 0.000 0.000 0.218 419 A C 2.156 179.754 177.584 0.023 0.000 1.181 419 A CA 2.377 54.440 52.037 0.043 0.000 0.627 419 A CB -1.113 17.881 19.000 -0.010 0.000 0.818 419 A HN 0.691 nan 8.150 nan 0.000 0.445 420 V N -2.674 117.261 119.914 0.034 0.000 2.490 420 V HA -0.034 4.086 4.120 0.000 0.000 0.250 420 V C 2.324 178.452 176.094 0.057 0.000 1.061 420 V CA 1.884 64.196 62.300 0.020 0.000 1.064 420 V CB -1.346 30.485 31.823 0.014 0.000 0.670 420 V HN 0.542 nan 8.190 nan 0.000 0.461 421 A N -0.287 122.628 122.820 0.158 0.000 2.251 421 A HA 0.115 4.435 4.320 0.000 0.000 0.209 421 A C 2.129 179.755 177.584 0.070 0.000 1.187 421 A CA 0.673 52.851 52.037 0.235 0.000 0.823 421 A CB -0.526 18.649 19.000 0.292 0.000 0.846 421 A HN 0.664 nan 8.150 nan 0.000 0.486 422 E N 0.613 120.804 120.200 -0.015 0.000 2.160 422 E HA -0.182 4.168 4.350 0.000 0.000 0.195 422 E C 1.749 178.269 176.600 -0.133 0.000 0.991 422 E CA 1.837 58.205 56.400 -0.054 0.000 0.810 422 E CB -0.198 29.473 29.700 -0.049 0.000 0.742 422 E HN 0.552 nan 8.360 nan 0.000 0.466 423 V N -1.534 118.201 119.914 -0.297 0.000 2.759 423 V HA -0.151 3.969 4.120 0.000 0.000 0.256 423 V C 1.705 177.553 176.094 -0.410 0.000 1.080 423 V CA 1.263 63.313 62.300 -0.417 0.000 1.101 423 V CB -0.821 30.659 31.823 -0.572 0.000 0.698 423 V HN 0.143 nan 8.190 nan 0.000 0.477 424 F N 1.934 121.869 119.950 -0.025 0.000 2.437 424 F HA 0.125 4.652 4.527 0.000 0.000 0.288 424 F C 2.720 178.497 175.800 -0.038 0.000 1.085 424 F CA 1.155 59.137 58.000 -0.031 0.000 1.430 424 F CB -1.174 37.806 39.000 -0.035 0.000 1.120 424 F HN 0.251 nan 8.300 nan 0.000 0.556 425 T N -3.359 111.268 114.554 0.121 0.000 2.976 425 T HA 0.372 4.722 4.350 0.000 0.000 0.257 425 T C 2.065 176.773 174.700 0.013 0.000 1.051 425 T CA 0.929 63.055 62.100 0.045 0.000 1.141 425 T CB -0.240 68.631 68.868 0.005 0.000 0.881 425 T HN 0.449 nan 8.240 nan 0.000 0.461 426 G N 1.451 110.248 108.800 -0.006 0.000 2.253 426 G HA2 -0.209 3.751 3.960 0.000 0.000 0.251 426 G HA3 -0.209 3.751 3.960 0.000 0.000 0.251 426 G C -0.013 174.875 174.900 -0.019 0.000 0.998 426 G CA 0.063 45.154 45.100 -0.016 0.000 0.621 426 G HN 0.652 nan 8.290 nan 0.000 0.524 427 I N 4.017 124.576 120.570 -0.020 0.000 2.371 427 I HA 0.365 4.535 4.170 0.000 0.000 0.290 427 I C -1.554 174.548 176.117 -0.025 0.000 1.028 427 I CA -2.305 58.979 61.300 -0.027 0.000 1.345 427 I CB 0.993 38.968 38.000 -0.040 0.000 1.407 427 I HN -0.081 nan 8.210 nan 0.000 0.501 428 P HA 0.098 nan 4.420 nan 0.000 0.267 428 P C 0.101 177.396 177.300 -0.009 0.000 1.205 428 P CA -0.114 62.975 63.100 -0.019 0.000 0.765 428 P CB 0.585 32.272 31.700 -0.022 0.000 0.828 429 G N 3.222 112.027 108.800 0.010 0.000 2.504 429 G HA2 0.456 4.416 3.960 0.000 0.000 0.288 429 G HA3 0.456 4.416 3.960 0.000 0.000 0.288 429 G C -0.580 174.341 174.900 0.035 0.000 1.182 429 G CA -0.562 44.565 45.100 0.045 0.000 0.894 429 G HN 0.350 nan 8.290 nan 0.000 0.521 430 K N 0.400 120.836 120.400 0.060 0.000 2.371 430 K HA 0.363 4.683 4.320 0.000 0.000 0.251 430 K C -1.389 175.237 176.600 0.043 0.000 0.934 430 K CA -0.736 55.572 56.287 0.034 0.000 0.798 430 K CB 2.954 35.466 32.500 0.021 0.000 1.204 430 K HN 0.354 nan 8.250 nan 0.000 0.427 431 L N 2.996 124.219 121.223 0.000 0.000 2.283 431 L HA 0.263 4.603 4.340 0.000 0.000 0.281 431 L C -0.941 175.915 176.870 -0.023 0.000 1.033 431 L CA -0.888 53.936 54.840 -0.026 0.000 0.848 431 L CB 0.985 43.004 42.059 -0.067 0.000 1.226 431 L HN 0.274 nan 8.230 nan 0.000 0.429 432 V N 5.040 124.949 119.914 -0.009 0.000 2.461 432 V HA 0.368 4.488 4.120 0.000 0.000 0.275 432 V C 0.705 176.791 176.094 -0.013 0.000 1.047 432 V CA -0.685 61.609 62.300 -0.009 0.000 0.955 432 V CB 1.030 32.847 31.823 -0.010 0.000 0.988 432 V HN 0.684 nan 8.190 nan 0.000 0.471 433 R N 2.232 122.727 120.500 -0.008 0.000 2.582 433 R HA 0.207 4.547 4.340 0.000 0.000 0.271 433 R C 1.262 177.572 176.300 0.015 0.000 1.078 433 R CA -0.418 55.683 56.100 0.002 0.000 1.127 433 R CB 0.860 31.163 30.300 0.005 0.000 1.038 433 R HN 0.693 nan 8.270 nan 0.000 0.500 434 L N 3.068 124.310 121.223 0.032 0.000 2.043 434 L HA -0.287 4.053 4.340 0.000 0.000 0.212 434 L C 2.018 178.905 176.870 0.028 0.000 1.075 434 L CA 1.930 56.795 54.840 0.042 0.000 0.752 434 L CB -0.087 42.022 42.059 0.083 0.000 0.891 434 L HN 0.473 nan 8.230 nan 0.000 0.432 435 K N -0.158 120.264 120.400 0.036 0.000 2.026 435 K HA -0.167 4.153 4.320 0.000 0.000 0.208 435 K C 1.852 178.471 176.600 0.031 0.000 1.048 435 K CA 1.761 58.068 56.287 0.034 0.000 0.929 435 K CB -0.856 31.666 32.500 0.037 0.000 0.713 435 K HN 0.430 nan 8.250 nan 0.000 0.439 436 D N 0.282 120.700 120.400 0.030 0.000 2.144 436 D HA -0.102 4.538 4.640 0.000 0.000 0.199 436 D C 1.844 178.174 176.300 0.050 0.000 0.984 436 D CA 1.294 55.317 54.000 0.037 0.000 0.834 436 D CB -0.436 40.380 40.800 0.026 0.000 0.955 436 D HN 0.203 nan 8.370 nan 0.000 0.465 437 T N 0.691 115.266 114.554 0.035 0.000 2.643 437 T HA -0.110 4.240 4.350 0.000 0.000 0.264 437 T C 2.312 177.066 174.700 0.090 0.000 1.045 437 T CA 1.085 63.222 62.100 0.060 0.000 1.155 437 T CB -0.554 68.316 68.868 0.003 0.000 0.863 437 T HN -0.030 nan 8.240 nan 0.000 0.420 438 V N 1.843 121.743 119.914 -0.023 0.000 2.287 438 V HA -0.220 3.900 4.120 0.000 0.000 0.248 438 V C 2.915 179.046 176.094 0.060 0.000 1.053 438 V CA 1.852 64.115 62.300 -0.063 0.000 1.027 438 V CB -1.313 30.428 31.823 -0.136 0.000 0.646 438 V HN 0.566 nan 8.190 nan 0.000 0.447 439 A N -0.457 122.407 122.820 0.073 0.000 1.883 439 A HA -0.226 4.094 4.320 0.000 0.000 0.217 439 A C 2.476 180.148 177.584 0.147 0.000 1.186 439 A CA 2.387 54.483 52.037 0.099 0.000 0.624 439 A CB -0.836 18.212 19.000 0.081 0.000 0.822 439 A HN 0.517 nan 8.150 nan 0.000 0.444 440 S N -0.656 115.142 115.700 0.163 0.000 2.354 440 S HA -0.165 4.305 4.470 0.000 0.000 0.219 440 S C 1.656 176.402 174.600 0.244 0.000 1.035 440 S CA 1.749 60.066 58.200 0.195 0.000 1.037 440 S CB -0.688 62.646 63.200 0.224 0.000 0.956 440 S HN 0.515 nan 8.310 nan 0.000 0.428 441 F N 1.860 121.944 119.950 0.224 0.000 2.161 441 F HA -0.117 4.410 4.527 0.000 0.000 0.300 441 F C 2.418 178.300 175.800 0.137 0.000 1.089 441 F CA 1.391 59.514 58.000 0.205 0.000 1.282 441 F CB -0.260 38.792 39.000 0.086 0.000 1.010 441 F HN 0.128 nan 8.300 nan 0.000 0.485 442 K N 0.364 120.927 120.400 0.272 0.000 2.032 442 K HA -0.204 4.116 4.320 0.000 0.000 0.209 442 K C 2.283 178.986 176.600 0.171 0.000 1.048 442 K CA 1.285 57.680 56.287 0.179 0.000 0.927 442 K CB -0.354 32.223 32.500 0.128 0.000 0.712 442 K HN 0.227 nan 8.250 nan 0.000 0.441 443 A N 0.580 123.521 122.820 0.200 0.000 1.933 443 A HA -0.114 4.206 4.320 0.000 0.000 0.218 443 A C 2.215 179.967 177.584 0.279 0.000 1.175 443 A CA 1.596 53.776 52.037 0.239 0.000 0.628 443 A CB -0.548 18.673 19.000 0.367 0.000 0.814 443 A HN 0.187 nan 8.150 nan 0.000 0.444 444 V N -0.115 119.962 119.914 0.270 0.000 2.358 444 V HA -0.228 3.892 4.120 0.000 0.000 0.246 444 V C 2.504 178.676 176.094 0.129 0.000 1.047 444 V CA 1.847 64.276 62.300 0.215 0.000 1.035 444 V CB -0.703 31.155 31.823 0.059 0.000 0.658 444 V HN 0.567 nan 8.190 nan 0.000 0.452 445 L N -0.357 120.946 121.223 0.133 0.000 2.191 445 L HA -0.153 4.187 4.340 0.000 0.000 0.212 445 L C 2.250 179.164 176.870 0.073 0.000 1.103 445 L CA 1.413 56.311 54.840 0.096 0.000 0.769 445 L CB -0.455 41.669 42.059 0.108 0.000 0.908 445 L HN 0.365 nan 8.230 nan 0.000 0.438 446 E N -0.635 119.614 120.200 0.083 0.000 2.502 446 E HA 0.013 4.363 4.350 0.000 0.000 0.194 446 E C 1.487 178.103 176.600 0.028 0.000 1.062 446 E CA 0.474 56.906 56.400 0.054 0.000 0.867 446 E CB 0.184 29.918 29.700 0.056 0.000 0.888 446 E HN 0.548 nan 8.360 nan 0.000 0.510 447 G N 1.520 110.339 108.800 0.030 0.000 2.279 447 G HA2 -0.285 3.675 3.960 0.000 0.000 0.223 447 G HA3 -0.285 3.675 3.960 0.000 0.000 0.223 447 G C 0.190 175.079 174.900 -0.017 0.000 1.015 447 G CA -0.055 45.048 45.100 0.006 0.000 0.621 447 G HN 0.235 nan 8.290 nan 0.000 0.506 448 K N -0.377 119.988 120.400 -0.059 0.000 2.276 448 K HA 0.469 4.789 4.320 0.000 0.000 0.259 448 K C 0.746 177.287 176.600 -0.099 0.000 1.001 448 K CA 0.110 56.258 56.287 -0.230 0.000 0.927 448 K CB 0.206 32.410 32.500 -0.494 0.000 0.969 448 K HN 0.564 nan 8.250 nan 0.000 0.490 449 Y N -1.639 118.672 120.300 0.019 0.000 4.881 449 Y HA -0.263 4.287 4.550 0.000 0.000 0.241 449 Y C 0.388 176.339 175.900 0.086 0.000 0.985 449 Y CA 0.901 59.030 58.100 0.048 0.000 1.976 449 Y CB -2.354 36.158 38.460 0.087 0.000 1.528 449 Y HN 0.751 nan 8.280 nan 0.000 0.581 450 D N 0.278 120.753 120.400 0.125 0.000 2.317 450 D HA -0.069 4.571 4.640 0.000 0.000 0.211 450 D C 1.825 178.165 176.300 0.067 0.000 0.966 450 D CA 1.209 55.256 54.000 0.078 0.000 0.876 450 D CB -0.243 40.574 40.800 0.028 0.000 0.927 450 D HN 0.717 nan 8.370 nan 0.000 0.519 451 N N 0.576 119.311 118.700 0.059 0.000 2.409 451 N HA -0.112 4.628 4.740 0.000 0.000 0.179 451 N C 0.327 175.876 175.510 0.065 0.000 1.032 451 N CA 0.326 53.402 53.050 0.043 0.000 0.898 451 N CB 0.146 38.643 38.487 0.016 0.000 0.971 451 N HN 0.085 nan 8.380 nan 0.000 0.441 452 I N 3.661 124.298 120.570 0.112 0.000 2.416 452 I HA 0.230 4.400 4.170 0.000 0.000 0.288 452 I C -1.908 174.312 176.117 0.172 0.000 1.051 452 I CA -2.681 58.682 61.300 0.105 0.000 1.375 452 I CB 0.258 38.294 38.000 0.060 0.000 1.407 452 I HN -0.030 nan 8.210 nan 0.000 0.516 453 P HA 0.094 nan 4.420 nan 0.000 0.271 453 P C 0.431 177.879 177.300 0.246 0.000 1.233 453 P CA -0.162 63.021 63.100 0.138 0.000 0.789 453 P CB 0.882 32.639 31.700 0.096 0.000 0.951 454 E N -0.331 119.988 120.200 0.198 0.000 2.204 454 E HA -0.227 4.123 4.350 0.000 0.000 0.195 454 E C 1.583 178.384 176.600 0.336 0.000 0.990 454 E CA 1.069 57.607 56.400 0.230 0.000 0.821 454 E CB -0.449 29.299 29.700 0.079 0.000 0.750 454 E HN 0.541 nan 8.360 nan 0.000 0.477 455 H N -0.148 119.000 119.070 0.129 0.000 2.547 455 H HA 0.179 4.735 4.556 0.000 0.000 0.272 455 H C 1.640 177.036 175.328 0.114 0.000 0.989 455 H CA 0.819 56.934 56.048 0.111 0.000 1.214 455 H CB 0.096 29.891 29.762 0.055 0.000 1.389 455 H HN 0.164 nan 8.280 nan 0.000 0.577 456 A N -0.804 122.046 122.820 0.051 0.000 2.067 456 A HA -0.000 4.320 4.320 0.000 0.000 0.217 456 A C 1.549 178.957 177.584 -0.293 0.000 1.156 456 A CA 0.533 52.454 52.037 -0.193 0.000 0.683 456 A CB -0.665 18.136 19.000 -0.332 0.000 0.808 456 A HN 0.352 nan 8.150 nan 0.000 0.455 457 F N -2.229 117.664 119.950 -0.096 0.000 2.615 457 F HA 0.150 4.677 4.527 0.000 0.000 0.297 457 F C 0.790 176.669 175.800 0.132 0.000 1.124 457 F CA 0.035 57.962 58.000 -0.121 0.000 1.451 457 F CB -0.167 38.708 39.000 -0.208 0.000 1.103 457 F HN 0.287 nan 8.300 nan 0.000 0.569 458 Y N 1.491 121.880 120.300 0.148 0.000 2.359 458 Y HA 0.306 4.856 4.550 0.000 0.000 0.334 458 Y C 0.548 176.477 175.900 0.047 0.000 1.058 458 Y CA -1.554 56.618 58.100 0.121 0.000 1.244 458 Y CB 0.254 38.788 38.460 0.124 0.000 1.187 458 Y HN 0.025 nan 8.280 nan 0.000 0.510 459 M N 5.862 125.203 119.600 -0.432 0.000 2.399 459 M HA -0.155 4.325 4.480 0.000 0.000 0.191 459 M C -1.346 174.860 176.300 -0.157 0.000 0.732 459 M CA 0.946 56.008 55.300 -0.397 0.000 0.512 459 M CB -2.630 29.619 32.600 -0.586 0.000 1.191 459 M HN 0.452 nan 8.290 nan 0.000 0.894 460 V N -3.321 116.566 119.914 -0.045 0.000 3.181 460 V HA 1.055 5.175 4.120 0.000 0.000 0.308 460 V C 0.770 176.884 176.094 0.033 0.000 1.214 460 V CA -0.289 62.011 62.300 -0.001 0.000 1.053 460 V CB 1.481 33.313 31.823 0.015 0.000 1.069 460 V HN 0.430 nan 8.190 nan 0.000 0.441 461 G N 0.522 109.337 108.800 0.024 0.000 2.948 461 G HA2 0.505 4.465 3.960 0.000 0.000 0.174 461 G HA3 0.505 4.465 3.960 0.000 0.000 0.174 461 G C 0.545 175.468 174.900 0.037 0.000 1.839 461 G CA 0.109 45.219 45.100 0.017 0.000 0.908 461 G HN 1.427 nan 8.290 nan 0.000 0.419 462 G N -1.257 107.568 108.800 0.041 0.000 2.522 462 G HA2 0.379 4.339 3.960 0.000 0.000 0.304 462 G HA3 0.379 4.339 3.960 0.000 0.000 0.304 462 G C 0.805 175.782 174.900 0.129 0.000 1.210 462 G CA -0.238 44.909 45.100 0.079 0.000 0.960 462 G HN 0.381 nan 8.290 nan 0.000 0.497 463 I N -0.365 120.294 120.570 0.149 0.000 2.300 463 I HA -0.204 3.966 4.170 0.000 0.000 0.252 463 I C 2.488 178.504 176.117 -0.169 0.000 1.119 463 I CA 1.683 62.923 61.300 -0.101 0.000 1.384 463 I CB -0.122 37.769 38.000 -0.181 0.000 1.062 463 I HN 0.734 nan 8.210 nan 0.000 0.426 464 E N 0.062 120.223 120.200 -0.064 0.000 2.130 464 E HA -0.263 4.087 4.350 0.000 0.000 0.196 464 E C 1.519 178.071 176.600 -0.080 0.000 0.998 464 E CA 1.632 57.999 56.400 -0.055 0.000 0.806 464 E CB -0.185 29.502 29.700 -0.021 0.000 0.738 464 E HN 0.601 nan 8.360 nan 0.000 0.459 465 D N -0.338 120.016 120.400 -0.077 0.000 2.289 465 D HA -0.061 4.579 4.640 0.000 0.000 0.207 465 D C 1.947 178.151 176.300 -0.160 0.000 0.966 465 D CA 0.317 54.265 54.000 -0.087 0.000 0.868 465 D CB 0.028 40.800 40.800 -0.047 0.000 0.943 465 D HN 0.017 nan 8.370 nan 0.000 0.514 466 V N 0.554 120.311 119.914 -0.263 0.000 2.270 466 V HA -0.200 3.920 4.120 0.000 0.000 0.245 466 V C 2.622 178.498 176.094 -0.364 0.000 1.043 466 V CA 1.033 63.047 62.300 -0.477 0.000 1.014 466 V CB -0.558 30.721 31.823 -0.906 0.000 0.645 466 V HN 0.064 nan 8.190 nan 0.000 0.447 467 V N 0.397 120.145 119.914 -0.277 0.000 2.324 467 V HA -0.312 3.808 4.120 0.000 0.000 0.250 467 V C 2.723 178.753 176.094 -0.106 0.000 1.060 467 V CA 2.235 64.451 62.300 -0.141 0.000 1.042 467 V CB -1.146 30.642 31.823 -0.058 0.000 0.650 467 V HN 0.573 nan 8.190 nan 0.000 0.450 468 A N -0.708 122.050 122.820 -0.103 0.000 1.877 468 A HA -0.260 4.060 4.320 0.000 0.000 0.216 468 A C 2.368 179.903 177.584 -0.082 0.000 1.186 468 A CA 2.185 54.177 52.037 -0.076 0.000 0.620 468 A CB -0.443 18.518 19.000 -0.065 0.000 0.822 468 A HN 0.508 nan 8.150 nan 0.000 0.443 469 K N -0.640 119.693 120.400 -0.112 0.000 2.167 469 K HA 0.079 4.400 4.320 0.000 0.000 0.203 469 K C 2.081 178.622 176.600 -0.099 0.000 1.052 469 K CA 0.861 57.084 56.287 -0.106 0.000 0.956 469 K CB -0.219 32.202 32.500 -0.132 0.000 0.735 469 K HN 0.368 nan 8.250 nan 0.000 0.451 470 A N 1.162 123.907 122.820 -0.125 0.000 2.015 470 A HA -0.152 4.168 4.320 0.000 0.000 0.219 470 A C 1.666 179.218 177.584 -0.053 0.000 1.163 470 A CA 1.361 53.340 52.037 -0.096 0.000 0.646 470 A CB -0.299 18.623 19.000 -0.130 0.000 0.806 470 A HN 0.402 nan 8.150 nan 0.000 0.448 471 E N -0.235 119.935 120.200 -0.051 0.000 2.150 471 E HA -0.141 4.209 4.350 0.000 0.000 0.193 471 E C 1.957 178.543 176.600 -0.023 0.000 0.985 471 E CA 1.157 57.538 56.400 -0.031 0.000 0.814 471 E CB -0.051 29.631 29.700 -0.030 0.000 0.752 471 E HN 0.581 nan 8.360 nan 0.000 0.466 472 K N 0.352 120.737 120.400 -0.026 0.000 2.062 472 K HA -0.000 4.320 4.320 0.000 0.000 0.205 472 K C 1.810 178.408 176.600 -0.004 0.000 1.051 472 K CA 0.741 57.019 56.287 -0.016 0.000 0.941 472 K CB 0.069 32.557 32.500 -0.020 0.000 0.719 472 K HN 0.128 nan 8.250 nan 0.000 0.440 473 L N 0.438 121.659 121.223 -0.003 0.000 2.610 473 L HA 0.095 4.435 4.340 0.000 0.000 0.232 473 L C 0.737 177.620 176.870 0.023 0.000 1.149 473 L CA -0.221 54.631 54.840 0.021 0.000 0.872 473 L CB -0.291 41.791 42.059 0.038 0.000 0.992 473 L HN 0.100 nan 8.230 nan 0.000 0.447 474 A N 0.000 122.826 122.820 0.010 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.043 52.037 0.010 0.000 0.836 474 A CB 0.000 19.006 19.000 0.011 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486