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 1wmr_1_B DATA FIRST_RESID 16 DATA SEQUENCE REFMAVTANN SQLLTWWHNT GEINTQTPVA DGNVRQSGLY SVKVQTTPAS DATA SEQUENCE SSLYYDSFVY LAIPGNGMSD QLQYTQGYNQ TQAWTSFLYS HDATVKISRN DATA SEQUENCE GSSANSNVVI RPTSLNFPVR YDNQSVYITV PYSPTGYRFS VEFDDDLISL DATA SEQUENCE APSGARQPEN ALLIFASPFE NSSTKPQPGS PNSIAPAPGR VLGLNTTSAS DATA SEQUENCE TVVFNPGVYY FTGHDHMVLS SSVTWVYFAP GAYVKGAVEF LSTASEVKAS DATA SEQUENCE GHGVLSGEQY VWYADPDEGY QKASGANNNG LRMWRGTLGN SSQTFVLNGV DATA SEQUENCE TVSAPPFNSM DWSGNSLDLI TCRVDDYKQV GAFYGQTDGL EMYPGTILQD DATA SEQUENCE VFYHTDDDGL KMYYSNVTAR NIVMWKESVA PVVEFGWTPR NTENVLFDNV DATA SEQUENCE DVIHQAYANA GNNPGIFGAV NNYLYAPDGL SSNHSTGNSN MTVRNITWSN DATA SEQUENCE FRAEGSSSAL FRINPIQNLD NISIKNVSIE SFEPLSINTT ESWMPVWYDL DATA SEQUENCE NNGKQITVTD FSIEGFTVGN TTITASNAAS VGRIDGVDPA YAGSVHYID 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 16 R HA 0.000 nan 4.340 nan 0.000 0.208 16 R C 0.000 176.148 176.300 -0.253 0.000 0.893 16 R CA 0.000 56.009 56.100 -0.152 0.000 0.921 16 R CB 0.000 30.242 30.300 -0.096 0.000 0.687 17 E N 0.942 121.027 120.200 -0.191 0.000 2.373 17 E HA 0.163 4.512 4.350 -0.000 0.000 0.267 17 E C -0.610 175.879 176.600 -0.185 0.000 1.032 17 E CA -0.199 56.069 56.400 -0.220 0.000 0.889 17 E CB 0.449 30.098 29.700 -0.086 0.000 0.984 17 E HN 0.181 nan 8.360 nan 0.000 0.425 18 F N 2.272 122.204 119.950 -0.030 0.000 2.629 18 F HA -0.011 4.516 4.527 -0.000 0.000 0.377 18 F C 0.822 176.589 175.800 -0.055 0.000 1.101 18 F CA 0.675 58.647 58.000 -0.048 0.000 1.301 18 F CB 0.289 39.258 39.000 -0.051 0.000 1.062 18 F HN 0.231 nan 8.300 nan 0.000 0.583 19 M N 2.180 121.851 119.600 0.118 0.000 2.531 19 M HA 0.562 5.042 4.480 -0.000 0.000 0.286 19 M C -0.982 175.236 176.300 -0.136 0.000 1.232 19 M CA -0.813 54.484 55.300 -0.004 0.000 0.877 19 M CB 2.133 34.730 32.600 -0.006 0.000 1.726 19 M HN 0.618 nan 8.290 nan 0.000 0.463 20 A N 2.049 124.664 122.820 -0.341 0.000 2.477 20 A HA 0.458 4.778 4.320 -0.000 0.000 0.246 20 A C -0.812 176.552 177.584 -0.367 0.000 1.078 20 A CA -0.288 51.359 52.037 -0.650 0.000 0.770 20 A CB 0.341 18.329 19.000 -1.687 0.000 1.011 20 A HN 0.659 nan 8.150 nan 0.000 0.494 21 V N 4.079 123.830 119.914 -0.271 0.000 2.409 21 V HA 0.601 4.721 4.120 -0.000 0.000 0.290 21 V C 0.322 176.450 176.094 0.057 0.000 1.017 21 V CA 0.316 62.567 62.300 -0.082 0.000 0.841 21 V CB 1.465 33.242 31.823 -0.077 0.000 1.003 21 V HN 1.277 nan 8.190 nan 0.000 0.426 22 T N 4.386 119.025 114.554 0.141 0.000 2.912 22 T HA 0.876 5.226 4.350 -0.000 0.000 0.280 22 T C 0.063 174.904 174.700 0.235 0.000 0.989 22 T CA -0.164 62.068 62.100 0.219 0.000 0.995 22 T CB 1.837 70.820 68.868 0.192 0.000 1.077 22 T HN 1.349 nan 8.240 nan 0.000 0.531 23 A N 1.236 124.030 122.820 -0.043 0.000 2.324 23 A HA 0.715 5.035 4.320 -0.000 0.000 0.330 23 A C 0.039 177.542 177.584 -0.134 0.000 1.165 23 A CA -0.834 50.917 52.037 -0.476 0.000 0.813 23 A CB 0.572 18.986 19.000 -0.978 0.000 1.197 23 A HN 0.812 nan 8.150 nan 0.000 0.484 24 N N 1.654 120.287 118.700 -0.111 0.000 2.700 24 N HA 0.108 4.848 4.740 -0.000 0.000 0.242 24 N C -1.357 174.171 175.510 0.029 0.000 1.541 24 N CA -0.336 52.722 53.050 0.013 0.000 0.764 24 N CB 0.328 38.847 38.487 0.053 0.000 1.319 24 N HN 0.908 nan 8.380 nan 0.000 0.518 25 N N -1.590 117.139 118.700 0.048 0.000 2.701 25 N HA 0.205 4.945 4.740 -0.000 0.000 0.290 25 N C 0.462 176.100 175.510 0.213 0.000 1.338 25 N CA -0.552 52.545 53.050 0.078 0.000 0.799 25 N CB 0.685 39.169 38.487 -0.005 0.000 1.491 25 N HN 0.030 nan 8.380 nan 0.000 0.540 26 S N -1.422 114.351 115.700 0.122 0.000 2.603 26 S HA -0.069 4.401 4.470 -0.000 0.000 0.229 26 S C 0.910 175.415 174.600 -0.158 0.000 0.972 26 S CA 0.606 58.835 58.200 0.048 0.000 0.935 26 S CB -0.359 62.814 63.200 -0.046 0.000 0.769 26 S HN 0.620 nan 8.310 nan 0.000 0.536 27 Q N -0.638 119.168 119.800 0.011 0.000 2.369 27 Q HA 0.482 4.822 4.340 -0.000 0.000 0.254 27 Q C -0.694 175.450 176.000 0.241 0.000 0.858 27 Q CA -0.034 55.754 55.803 -0.025 0.000 0.961 27 Q CB 0.695 29.395 28.738 -0.064 0.000 1.119 27 Q HN 0.474 nan 8.270 nan 0.000 0.538 28 L N 0.658 122.075 121.223 0.324 0.000 2.472 28 L HA 0.541 4.881 4.340 -0.000 0.000 0.260 28 L C -2.242 174.751 176.870 0.205 0.000 0.963 28 L CA -0.879 54.142 54.840 0.302 0.000 0.829 28 L CB 2.315 44.408 42.059 0.057 0.000 1.348 28 L HN -0.035 nan 8.230 nan 0.000 0.408 29 L N 3.938 125.288 121.223 0.212 0.000 2.441 29 L HA 0.862 5.202 4.340 -0.000 0.000 0.270 29 L C -0.669 176.364 176.870 0.272 0.000 0.973 29 L CA 0.381 55.328 54.840 0.178 0.000 0.842 29 L CB 1.935 44.038 42.059 0.073 0.000 1.239 29 L HN 0.866 nan 8.230 nan 0.000 0.406 30 T N 0.275 114.950 114.554 0.201 0.000 2.907 30 T HA 0.885 5.235 4.350 -0.000 0.000 0.290 30 T C -0.897 174.006 174.700 0.339 0.000 1.066 30 T CA -0.580 61.536 62.100 0.026 0.000 1.012 30 T CB 1.601 70.438 68.868 -0.051 0.000 1.184 30 T HN 0.732 nan 8.240 nan 0.000 0.522 31 W N -1.312 120.114 121.300 0.211 0.000 3.018 31 W HA 0.833 5.492 4.660 -0.000 0.000 0.352 31 W C -1.826 174.871 176.519 0.297 0.000 1.230 31 W CA -1.326 56.126 57.345 0.178 0.000 1.162 31 W CB 0.901 30.412 29.460 0.085 0.000 1.483 31 W HN 0.860 nan 8.180 nan 0.000 0.584 32 W N 0.073 121.434 121.300 0.101 0.000 3.038 32 W HA 0.527 5.186 4.660 -0.000 0.000 0.347 32 W C -1.561 174.687 176.519 -0.452 0.000 1.219 32 W CA -1.207 56.116 57.345 -0.037 0.000 1.142 32 W CB 2.368 31.881 29.460 0.089 0.000 1.484 32 W HN 0.570 nan 8.180 nan 0.000 0.586 33 H N 1.952 120.665 119.070 -0.595 0.000 3.018 33 H HA 0.186 4.742 4.556 -0.000 0.000 0.334 33 H C 0.680 175.845 175.328 -0.272 0.000 0.983 33 H CA -0.487 55.248 56.048 -0.521 0.000 1.363 33 H CB 1.461 30.618 29.762 -1.009 0.000 1.668 33 H HN 0.213 nan 8.280 nan 0.000 0.513 34 N N 0.978 119.739 118.700 0.102 0.000 2.512 34 N HA -0.073 4.667 4.740 -0.000 0.000 0.183 34 N C 0.906 176.467 175.510 0.084 0.000 1.073 34 N CA 1.005 54.155 53.050 0.167 0.000 0.911 34 N CB 0.284 38.871 38.487 0.167 0.000 0.964 34 N HN 0.638 nan 8.380 nan 0.000 0.447 35 T N -2.432 112.134 114.554 0.020 0.000 3.258 35 T HA 0.336 4.686 4.350 -0.000 0.000 0.263 35 T C 0.815 175.485 174.700 -0.049 0.000 0.983 35 T CA -0.790 61.303 62.100 -0.013 0.000 0.907 35 T CB -0.057 68.790 68.868 -0.035 0.000 1.096 35 T HN 0.007 nan 8.240 nan 0.000 0.556 36 G N 0.881 109.671 108.800 -0.016 0.000 2.441 36 G HA2 0.402 4.362 3.960 -0.000 0.000 0.243 36 G HA3 0.402 4.362 3.960 -0.000 0.000 0.243 36 G C -0.717 174.177 174.900 -0.009 0.000 1.281 36 G CA -0.513 44.608 45.100 0.035 0.000 0.854 36 G HN 0.583 nan 8.290 nan 0.000 0.560 37 E N 1.694 121.871 120.200 -0.039 0.000 2.218 37 E HA 0.272 4.622 4.350 -0.000 0.000 0.263 37 E C -0.440 176.117 176.600 -0.072 0.000 0.879 37 E CA -0.949 55.420 56.400 -0.053 0.000 0.762 37 E CB 1.060 30.725 29.700 -0.059 0.000 1.166 37 E HN 0.183 nan 8.360 nan 0.000 0.415 38 I N 4.636 125.163 120.570 -0.071 0.000 2.421 38 I HA 0.213 4.383 4.170 -0.000 0.000 0.291 38 I C -0.147 175.928 176.117 -0.069 0.000 1.089 38 I CA 0.112 61.361 61.300 -0.086 0.000 1.354 38 I CB -0.186 37.766 38.000 -0.079 0.000 1.413 38 I HN 0.504 nan 8.210 nan 0.000 0.513 39 N N 4.655 123.313 118.700 -0.071 0.000 2.648 39 N HA 0.137 4.877 4.740 -0.000 0.000 0.272 39 N C -0.050 175.428 175.510 -0.053 0.000 1.118 39 N CA -0.221 52.795 53.050 -0.055 0.000 0.973 39 N CB 1.643 40.102 38.487 -0.046 0.000 1.565 39 N HN 0.530 nan 8.380 nan 0.000 0.542 40 T N -0.102 114.420 114.554 -0.054 0.000 3.182 40 T HA 0.211 4.561 4.350 -0.000 0.000 0.277 40 T C 0.787 175.458 174.700 -0.049 0.000 1.013 40 T CA -0.027 62.040 62.100 -0.055 0.000 0.900 40 T CB 0.514 69.341 68.868 -0.068 0.000 1.098 40 T HN 0.554 nan 8.240 nan 0.000 0.543 41 Q N 1.064 120.841 119.800 -0.038 0.000 2.519 41 Q HA 0.203 4.543 4.340 -0.000 0.000 0.248 41 Q C 0.488 176.477 176.000 -0.018 0.000 0.804 41 Q CA 0.479 56.264 55.803 -0.031 0.000 0.979 41 Q CB 1.222 29.942 28.738 -0.030 0.000 1.282 41 Q HN 0.594 nan 8.270 nan 0.000 0.558 42 T N -1.529 113.016 114.554 -0.015 0.000 2.883 42 T HA 0.641 4.990 4.350 -0.000 0.000 0.284 42 T C -2.840 171.858 174.700 -0.003 0.000 1.041 42 T CA -2.130 59.967 62.100 -0.005 0.000 1.007 42 T CB 1.562 70.425 68.868 -0.009 0.000 1.220 42 T HN -0.161 nan 8.240 nan 0.000 0.552 43 P HA 0.312 nan 4.420 nan 0.000 0.272 43 P C -0.095 177.190 177.300 -0.024 0.000 1.223 43 P CA -0.596 62.503 63.100 -0.001 0.000 0.784 43 P CB 0.394 32.093 31.700 -0.000 0.000 0.923 44 V N -0.487 119.407 119.914 -0.035 0.000 3.170 44 V HA 0.719 4.839 4.120 -0.000 0.000 0.309 44 V C 0.277 176.321 176.094 -0.082 0.000 1.071 44 V CA -1.222 61.044 62.300 -0.057 0.000 1.063 44 V CB 0.263 32.046 31.823 -0.067 0.000 1.123 44 V HN 0.619 nan 8.190 nan 0.000 0.464 45 A N 1.052 123.817 122.820 -0.091 0.000 2.483 45 A HA 0.203 4.523 4.320 -0.000 0.000 0.238 45 A C 1.108 178.578 177.584 -0.190 0.000 1.070 45 A CA 0.244 52.209 52.037 -0.120 0.000 0.770 45 A CB -0.350 18.595 19.000 -0.093 0.000 1.008 45 A HN 1.017 nan 8.150 nan 0.000 0.497 46 D N 2.368 122.586 120.400 -0.304 0.000 2.191 46 D HA -0.194 4.446 4.640 -0.000 0.000 0.190 46 D C 1.781 177.801 176.300 -0.466 0.000 1.007 46 D CA 2.359 55.979 54.000 -0.633 0.000 0.865 46 D CB -0.336 39.835 40.800 -1.048 0.000 0.929 46 D HN 0.723 nan 8.370 nan 0.000 0.447 47 G N -0.512 108.158 108.800 -0.217 0.000 3.088 47 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.212 47 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.212 47 G C 0.457 175.314 174.900 -0.071 0.000 1.173 47 G CA -0.215 44.864 45.100 -0.035 0.000 0.779 47 G HN 0.109 nan 8.290 nan 0.000 0.540 48 N N -0.541 118.089 118.700 -0.117 0.000 2.477 48 N HA 0.587 5.327 4.740 -0.000 0.000 0.284 48 N C -0.844 174.529 175.510 -0.228 0.000 1.182 48 N CA -0.465 52.501 53.050 -0.140 0.000 0.949 48 N CB 2.206 40.629 38.487 -0.106 0.000 1.204 48 N HN -0.181 nan 8.380 nan 0.000 0.526 49 V N 0.940 120.676 119.914 -0.295 0.000 2.444 49 V HA 0.368 4.488 4.120 -0.000 0.000 0.294 49 V C 0.354 176.325 176.094 -0.206 0.000 1.022 49 V CA -0.879 61.134 62.300 -0.477 0.000 0.850 49 V CB 1.388 32.720 31.823 -0.817 0.000 0.992 49 V HN 0.532 nan 8.190 nan 0.000 0.426 50 R N 3.744 124.147 120.500 -0.161 0.000 2.484 50 R HA 0.163 4.503 4.340 -0.000 0.000 0.293 50 R C -0.142 176.111 176.300 -0.078 0.000 1.023 50 R CA 0.223 56.276 56.100 -0.077 0.000 1.037 50 R CB 0.460 30.746 30.300 -0.024 0.000 0.951 50 R HN 0.839 nan 8.270 nan 0.000 0.418 51 Q N 2.835 122.545 119.800 -0.150 0.000 2.365 51 Q HA 0.180 4.520 4.340 -0.000 0.000 0.269 51 Q C -1.100 174.700 176.000 -0.333 0.000 1.061 51 Q CA -0.588 54.989 55.803 -0.377 0.000 0.816 51 Q CB 2.039 30.459 28.738 -0.531 0.000 1.325 51 Q HN 0.629 nan 8.270 nan 0.000 0.446 52 S N 1.599 117.064 115.700 -0.391 0.000 2.537 52 S HA 0.199 4.669 4.470 -0.000 0.000 0.286 52 S C 0.836 175.286 174.600 -0.251 0.000 1.299 52 S CA 0.572 58.617 58.200 -0.257 0.000 1.067 52 S CB 0.316 63.401 63.200 -0.192 0.000 0.864 52 S HN 0.783 nan 8.310 nan 0.000 0.494 53 G N 3.530 112.202 108.800 -0.213 0.000 2.986 53 G HA2 0.129 4.089 3.960 -0.000 0.000 0.213 53 G HA3 0.129 4.089 3.960 -0.000 0.000 0.213 53 G C 0.879 175.635 174.900 -0.240 0.000 1.156 53 G CA 0.095 45.077 45.100 -0.196 0.000 0.763 53 G HN 0.646 nan 8.290 nan 0.000 0.547 54 L N -1.058 119.962 121.223 -0.338 0.000 2.425 54 L HA 0.524 4.863 4.340 -0.000 0.000 0.215 54 L C -0.434 176.068 176.870 -0.613 0.000 1.065 54 L CA 0.043 54.558 54.840 -0.540 0.000 0.842 54 L CB 0.128 41.720 42.059 -0.778 0.000 1.033 54 L HN 0.068 nan 8.230 nan 0.000 0.474 55 Y N -0.462 119.732 120.300 -0.177 0.000 2.393 55 Y HA 0.615 5.165 4.550 -0.000 0.000 0.341 55 Y C 0.166 175.968 175.900 -0.164 0.000 0.988 55 Y CA -1.031 56.970 58.100 -0.165 0.000 1.078 55 Y CB 1.647 40.030 38.460 -0.127 0.000 1.203 55 Y HN -0.078 nan 8.280 nan 0.000 0.453 56 S N 2.642 118.362 115.700 0.033 0.000 2.473 56 S HA 0.835 5.305 4.470 -0.000 0.000 0.307 56 S C -1.434 173.147 174.600 -0.031 0.000 1.094 56 S CA -0.471 57.713 58.200 -0.027 0.000 1.070 56 S CB 0.558 63.724 63.200 -0.057 0.000 1.019 56 S HN 0.420 nan 8.310 nan 0.000 0.480 57 V N 5.306 125.198 119.914 -0.037 0.000 2.604 57 V HA 0.647 4.767 4.120 -0.000 0.000 0.305 57 V C -0.474 175.595 176.094 -0.041 0.000 1.043 57 V CA -0.754 61.517 62.300 -0.049 0.000 0.888 57 V CB 1.995 33.789 31.823 -0.048 0.000 0.995 57 V HN 0.909 nan 8.190 nan 0.000 0.429 58 K N 2.550 122.917 120.400 -0.054 0.000 2.508 58 K HA 0.871 5.190 4.320 -0.000 0.000 0.260 58 K C -1.820 174.832 176.600 0.086 0.000 0.949 58 K CA -0.780 55.513 56.287 0.010 0.000 0.834 58 K CB 2.922 35.418 32.500 -0.007 0.000 1.365 58 K HN 0.392 nan 8.250 nan 0.000 0.437 59 V N 1.227 121.211 119.914 0.117 0.000 2.876 59 V HA 0.425 4.545 4.120 -0.000 0.000 0.312 59 V C -1.050 175.067 176.094 0.037 0.000 1.085 59 V CA -0.860 61.451 62.300 0.018 0.000 0.945 59 V CB 1.958 33.512 31.823 -0.449 0.000 1.017 59 V HN 0.756 nan 8.190 nan 0.000 0.428 60 Q N 1.271 121.015 119.800 -0.093 0.000 2.285 60 Q HA 0.448 4.788 4.340 -0.000 0.000 0.269 60 Q C -0.934 175.005 176.000 -0.103 0.000 1.030 60 Q CA -0.477 55.156 55.803 -0.283 0.000 0.788 60 Q CB 2.295 30.412 28.738 -1.036 0.000 1.266 60 Q HN 0.822 nan 8.270 nan 0.000 0.438 61 T N 2.967 117.498 114.554 -0.038 0.000 2.940 61 T HA 0.113 4.463 4.350 -0.000 0.000 0.309 61 T C 0.441 175.156 174.700 0.026 0.000 1.056 61 T CA 0.297 62.421 62.100 0.041 0.000 1.137 61 T CB 0.536 69.388 68.868 -0.027 0.000 0.976 61 T HN 0.723 nan 8.240 nan 0.000 0.547 62 T N 1.738 116.388 114.554 0.160 0.000 2.788 62 T HA 0.373 4.723 4.350 -0.000 0.000 0.287 62 T C -2.351 172.394 174.700 0.075 0.000 1.007 62 T CA -1.612 60.565 62.100 0.130 0.000 1.005 62 T CB 0.202 69.183 68.868 0.188 0.000 1.012 62 T HN 0.351 nan 8.240 nan 0.000 0.530 63 P HA 0.311 nan 4.420 nan 0.000 0.275 63 P C -0.440 176.864 177.300 0.007 0.000 1.227 63 P CA -0.476 62.650 63.100 0.042 0.000 0.781 63 P CB 0.338 32.054 31.700 0.027 0.000 0.906 64 A N 3.059 125.887 122.820 0.013 0.000 2.545 64 A HA 0.406 4.725 4.320 -0.000 0.000 0.253 64 A C 0.795 178.372 177.584 -0.012 0.000 1.074 64 A CA 0.428 52.466 52.037 0.003 0.000 0.760 64 A CB -0.810 18.198 19.000 0.013 0.000 1.005 64 A HN 0.695 nan 8.150 nan 0.000 0.506 65 S N 0.577 116.264 115.700 -0.022 0.000 2.794 65 S HA 0.596 5.066 4.470 -0.000 0.000 0.299 65 S C 0.613 175.218 174.600 0.008 0.000 1.179 65 S CA 0.089 58.278 58.200 -0.017 0.000 0.838 65 S CB 1.072 64.253 63.200 -0.031 0.000 1.206 65 S HN 1.452 nan 8.310 nan 0.000 0.523 66 S N 0.170 115.875 115.700 0.009 0.000 2.593 66 S HA 0.197 4.666 4.470 -0.000 0.000 0.217 66 S C 1.015 175.629 174.600 0.023 0.000 0.966 66 S CA 0.186 58.406 58.200 0.034 0.000 0.914 66 S CB -1.023 62.187 63.200 0.018 0.000 0.776 66 S HN 1.117 nan 8.310 nan 0.000 0.523 67 S N 1.665 117.353 115.700 -0.019 0.000 2.634 67 S HA 0.376 4.846 4.470 -0.000 0.000 0.254 67 S C 0.239 174.789 174.600 -0.082 0.000 1.299 67 S CA -0.807 57.363 58.200 -0.050 0.000 0.974 67 S CB -0.254 62.908 63.200 -0.063 0.000 1.001 67 S HN 0.366 nan 8.310 nan 0.000 0.584 68 L N 0.805 121.942 121.223 -0.143 0.000 2.529 68 L HA 0.243 4.583 4.340 -0.000 0.000 0.287 68 L C -1.002 175.649 176.870 -0.366 0.000 1.241 68 L CA 0.683 55.366 54.840 -0.261 0.000 0.857 68 L CB -0.625 41.174 42.059 -0.433 0.000 1.113 68 L HN 0.650 nan 8.230 nan 0.000 0.504 69 Y N 3.972 124.076 120.300 -0.327 0.000 2.350 69 Y HA 0.416 4.966 4.550 -0.000 0.000 0.338 69 Y C -0.857 174.847 175.900 -0.326 0.000 0.961 69 Y CA -0.264 57.709 58.100 -0.211 0.000 1.100 69 Y CB 1.193 39.590 38.460 -0.105 0.000 1.179 69 Y HN 0.446 nan 8.280 nan 0.000 0.454 70 Y N 2.771 123.085 120.300 0.023 0.000 2.313 70 Y HA 0.196 4.745 4.550 -0.000 0.000 0.332 70 Y C 0.472 176.341 175.900 -0.052 0.000 1.071 70 Y CA -0.941 57.140 58.100 -0.032 0.000 1.169 70 Y CB 0.541 38.971 38.460 -0.050 0.000 1.192 70 Y HN 0.522 nan 8.280 nan 0.000 0.487 71 D N 1.338 121.746 120.400 0.013 0.000 2.423 71 D HA 0.034 4.674 4.640 -0.000 0.000 0.238 71 D C -0.348 175.985 176.300 0.055 0.000 1.142 71 D CA 0.459 54.415 54.000 -0.073 0.000 0.884 71 D CB 1.351 41.899 40.800 -0.420 0.000 1.199 71 D HN 0.397 nan 8.370 nan 0.000 0.438 72 S N 2.103 117.869 115.700 0.110 0.000 2.779 72 S HA 0.230 4.700 4.470 -0.000 0.000 0.293 72 S C -0.679 173.997 174.600 0.127 0.000 1.150 72 S CA -0.785 57.443 58.200 0.046 0.000 1.057 72 S CB 0.079 63.236 63.200 -0.072 0.000 1.021 72 S HN 0.302 nan 8.310 nan 0.000 0.485 73 F N 5.110 125.039 119.950 -0.036 0.000 2.623 73 F HA 0.214 4.740 4.527 -0.000 0.000 0.383 73 F C -0.043 175.388 175.800 -0.615 0.000 1.077 73 F CA 0.675 58.420 58.000 -0.426 0.000 1.268 73 F CB 0.556 39.173 39.000 -0.639 0.000 1.053 73 F HN 0.325 nan 8.300 nan 0.000 0.571 74 V N 8.138 127.422 119.914 -1.049 0.000 2.311 74 V HA 0.169 4.289 4.120 -0.000 0.000 0.275 74 V C -0.347 175.150 176.094 -0.994 0.000 1.022 74 V CA -0.751 61.074 62.300 -0.791 0.000 0.830 74 V CB -0.018 31.527 31.823 -0.463 0.000 1.012 74 V HN 0.556 nan 8.190 nan 0.000 0.452 75 Y N 4.683 124.534 120.300 -0.747 0.000 2.260 75 Y HA 0.616 5.165 4.550 -0.000 0.000 0.339 75 Y C 0.111 175.568 175.900 -0.738 0.000 1.317 75 Y CA -0.703 56.907 58.100 -0.817 0.000 1.514 75 Y CB 0.659 38.223 38.460 -1.493 0.000 1.382 75 Y HN 0.498 nan 8.280 nan 0.000 0.581 76 L N 0.776 121.842 121.223 -0.262 0.000 2.493 76 L HA 0.800 5.140 4.340 -0.000 0.000 0.265 76 L C -1.351 175.654 176.870 0.224 0.000 0.954 76 L CA -0.629 54.209 54.840 -0.003 0.000 0.844 76 L CB 1.704 43.737 42.059 -0.043 0.000 1.302 76 L HN 0.669 nan 8.230 nan 0.000 0.405 77 A N 5.511 128.572 122.820 0.401 0.000 2.350 77 A HA 0.908 5.228 4.320 -0.000 0.000 0.324 77 A C -1.025 176.772 177.584 0.354 0.000 1.118 77 A CA -0.530 51.761 52.037 0.423 0.000 0.783 77 A CB 1.235 20.534 19.000 0.498 0.000 1.236 77 A HN 0.835 nan 8.150 nan 0.000 0.457 78 I N -0.199 120.491 120.570 0.200 0.000 2.828 78 I HA 0.658 4.828 4.170 -0.000 0.000 0.302 78 I C -3.020 172.933 176.117 -0.272 0.000 1.101 78 I CA -3.057 58.188 61.300 -0.092 0.000 1.031 78 I CB 1.532 39.477 38.000 -0.091 0.000 1.231 78 I HN 0.348 nan 8.210 nan 0.000 0.427 79 P HA 0.140 nan 4.420 nan 0.000 0.263 79 P C 0.783 177.954 177.300 -0.216 0.000 1.195 79 P CA 1.241 63.981 63.100 -0.599 0.000 0.762 79 P CB 0.550 31.828 31.700 -0.704 0.000 0.799 80 G N 3.859 112.572 108.800 -0.146 0.000 2.176 80 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.253 80 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.253 80 G C 0.562 175.532 174.900 0.116 0.000 0.979 80 G CA 0.094 45.247 45.100 0.088 0.000 0.641 80 G HN 0.568 nan 8.290 nan 0.000 0.530 81 N N -1.064 117.660 118.700 0.041 0.000 2.696 81 N HA -0.219 4.521 4.740 -0.000 0.000 0.249 81 N C 1.784 177.338 175.510 0.073 0.000 1.090 81 N CA 2.649 55.750 53.050 0.086 0.000 0.716 81 N CB -1.431 37.141 38.487 0.141 0.000 1.020 81 N HN 2.316 nan 8.380 nan 0.000 0.548 82 G N -1.270 107.556 108.800 0.043 0.000 2.195 82 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.246 82 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.246 82 G C 0.100 175.030 174.900 0.049 0.000 0.984 82 G CA 0.379 45.497 45.100 0.031 0.000 0.633 82 G HN 0.394 nan 8.290 nan 0.000 0.525 83 M N 2.769 122.424 119.600 0.092 0.000 2.435 83 M HA 0.344 4.824 4.480 -0.000 0.000 0.344 83 M C 1.863 178.223 176.300 0.099 0.000 1.329 83 M CA 0.331 55.697 55.300 0.109 0.000 1.320 83 M CB 1.086 33.788 32.600 0.169 0.000 1.309 83 M HN 0.399 nan 8.290 nan 0.000 0.451 84 S N 1.225 116.957 115.700 0.053 0.000 2.392 84 S HA -0.221 4.249 4.470 -0.000 0.000 0.232 84 S C 1.290 175.905 174.600 0.024 0.000 1.041 84 S CA 1.961 60.178 58.200 0.028 0.000 1.026 84 S CB -0.438 62.767 63.200 0.009 0.000 0.845 84 S HN 0.789 nan 8.310 nan 0.000 0.465 85 D N 0.258 120.682 120.400 0.040 0.000 2.390 85 D HA -0.011 4.629 4.640 -0.000 0.000 0.235 85 D C 1.549 177.862 176.300 0.021 0.000 1.040 85 D CA 0.576 54.589 54.000 0.022 0.000 0.923 85 D CB -0.311 40.518 40.800 0.048 0.000 0.886 85 D HN 0.505 nan 8.370 nan 0.000 0.532 86 Q N -0.522 119.331 119.800 0.089 0.000 2.280 86 Q HA 0.328 4.668 4.340 -0.000 0.000 0.228 86 Q C 1.887 177.961 176.000 0.124 0.000 0.857 86 Q CA -0.039 55.883 55.803 0.199 0.000 0.939 86 Q CB 0.092 29.080 28.738 0.415 0.000 1.114 86 Q HN 0.249 nan 8.270 nan 0.000 0.514 87 L N 1.007 122.251 121.223 0.034 0.000 2.081 87 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 87 L C 2.333 179.136 176.870 -0.111 0.000 1.080 87 L CA 1.956 56.792 54.840 -0.006 0.000 0.754 87 L CB -0.658 41.376 42.059 -0.042 0.000 0.893 87 L HN 0.456 nan 8.230 nan 0.000 0.433 88 Q N -0.245 119.386 119.800 -0.282 0.000 2.368 88 Q HA -0.236 4.104 4.340 -0.000 0.000 0.210 88 Q C 1.332 177.084 176.000 -0.413 0.000 0.982 88 Q CA 1.821 57.394 55.803 -0.383 0.000 0.884 88 Q CB -0.472 27.949 28.738 -0.527 0.000 0.933 88 Q HN 0.605 nan 8.270 nan 0.000 0.460 89 Y N 1.711 121.916 120.300 -0.158 0.000 2.461 89 Y HA 0.149 4.699 4.550 -0.000 0.000 0.277 89 Y C 1.112 176.833 175.900 -0.298 0.000 1.182 89 Y CA -0.082 57.740 58.100 -0.463 0.000 1.276 89 Y CB 0.607 38.573 38.460 -0.823 0.000 1.087 89 Y HN 0.226 nan 8.280 nan 0.000 0.519 90 T N -3.609 110.952 114.554 0.011 0.000 2.919 90 T HA 0.152 4.502 4.350 -0.000 0.000 0.282 90 T C 0.885 175.540 174.700 -0.076 0.000 1.020 90 T CA -0.790 61.329 62.100 0.031 0.000 0.994 90 T CB 1.403 70.301 68.868 0.051 0.000 1.180 90 T HN -0.105 nan 8.240 nan 0.000 0.566 91 Q N -0.153 119.576 119.800 -0.117 0.000 2.435 91 Q HA 0.175 4.515 4.340 -0.000 0.000 0.207 91 Q C 1.661 177.438 176.000 -0.371 0.000 0.956 91 Q CA 1.156 56.787 55.803 -0.286 0.000 0.917 91 Q CB -0.302 28.169 28.738 -0.446 0.000 0.997 91 Q HN 1.237 nan 8.270 nan 0.000 0.497 92 G N -0.132 108.539 108.800 -0.215 0.000 2.157 92 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.248 92 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.248 92 G C -0.028 174.859 174.900 -0.022 0.000 0.979 92 G CA -0.048 44.974 45.100 -0.130 0.000 0.650 92 G HN 0.383 nan 8.290 nan 0.000 0.529 93 Y N 0.357 120.657 120.300 0.001 0.000 2.281 93 Y HA 0.338 4.888 4.550 -0.000 0.000 0.337 93 Y C 1.502 177.372 175.900 -0.050 0.000 1.304 93 Y CA -0.159 57.944 58.100 0.005 0.000 1.465 93 Y CB 0.594 39.087 38.460 0.055 0.000 1.350 93 Y HN 0.252 nan 8.280 nan 0.000 0.575 94 N N -0.661 118.121 118.700 0.137 0.000 2.321 94 N HA 0.082 4.822 4.740 -0.000 0.000 0.242 94 N C -1.016 174.479 175.510 -0.025 0.000 1.141 94 N CA -0.294 52.761 53.050 0.007 0.000 0.864 94 N CB 0.093 38.583 38.487 0.005 0.000 1.100 94 N HN 0.547 nan 8.380 nan 0.000 0.510 95 Q N 0.233 120.038 119.800 0.008 0.000 2.299 95 Q HA 0.352 4.692 4.340 -0.000 0.000 0.246 95 Q C -0.080 175.878 176.000 -0.070 0.000 0.935 95 Q CA -0.192 55.631 55.803 0.032 0.000 0.887 95 Q CB 1.134 29.971 28.738 0.164 0.000 1.223 95 Q HN 0.500 nan 8.270 nan 0.000 0.439 96 T N -1.123 113.449 114.554 0.031 0.000 2.924 96 T HA 0.471 4.821 4.350 -0.000 0.000 0.291 96 T C -0.833 173.983 174.700 0.193 0.000 1.045 96 T CA -0.952 61.195 62.100 0.078 0.000 1.015 96 T CB 1.838 70.716 68.868 0.017 0.000 1.103 96 T HN 0.552 nan 8.240 nan 0.000 0.496 97 Q N 0.659 120.614 119.800 0.260 0.000 2.303 97 Q HA 0.629 4.969 4.340 -0.000 0.000 0.267 97 Q C -1.162 174.971 176.000 0.222 0.000 1.011 97 Q CA -0.821 55.039 55.803 0.095 0.000 0.740 97 Q CB 1.503 30.135 28.738 -0.176 0.000 1.250 97 Q HN 1.064 nan 8.270 nan 0.000 0.458 98 A N 3.461 126.384 122.820 0.172 0.000 2.281 98 A HA 0.891 5.210 4.320 -0.000 0.000 0.329 98 A C -1.488 176.204 177.584 0.179 0.000 1.122 98 A CA -0.408 51.723 52.037 0.157 0.000 0.850 98 A CB 0.602 19.678 19.000 0.126 0.000 1.207 98 A HN 0.831 nan 8.150 nan 0.000 0.495 99 W N -0.693 120.546 121.300 -0.102 0.000 3.161 99 W HA 0.625 5.285 4.660 -0.000 0.000 0.314 99 W C -1.329 175.135 176.519 -0.091 0.000 1.245 99 W CA -0.083 57.108 57.345 -0.257 0.000 1.191 99 W CB 0.665 29.892 29.460 -0.389 0.000 1.392 99 W HN 0.853 nan 8.180 nan 0.000 0.568 100 T N 1.827 116.332 114.554 -0.081 0.000 2.916 100 T HA 0.734 5.084 4.350 -0.000 0.000 0.305 100 T C -1.389 173.398 174.700 0.144 0.000 1.119 100 T CA -0.358 61.728 62.100 -0.024 0.000 1.008 100 T CB 1.536 70.338 68.868 -0.110 0.000 1.129 100 T HN 0.585 nan 8.240 nan 0.000 0.480 101 S N 2.419 118.280 115.700 0.269 0.000 2.568 101 S HA 0.950 5.420 4.470 -0.000 0.000 0.293 101 S C -1.457 173.135 174.600 -0.013 0.000 1.089 101 S CA -0.654 57.727 58.200 0.302 0.000 0.945 101 S CB 1.040 64.680 63.200 0.734 0.000 1.077 101 S HN 0.711 nan 8.310 nan 0.000 0.485 102 F N -0.221 119.738 119.950 0.015 0.000 2.678 102 F HA 0.681 5.208 4.527 -0.000 0.000 0.308 102 F C -2.144 173.751 175.800 0.157 0.000 1.118 102 F CA -1.342 56.596 58.000 -0.102 0.000 0.959 102 F CB 0.550 39.439 39.000 -0.185 0.000 1.305 102 F HN 0.361 nan 8.300 nan 0.000 0.443 103 L N 3.191 124.710 121.223 0.492 0.000 2.334 103 L HA 0.657 4.997 4.340 -0.000 0.000 0.275 103 L C -1.061 176.303 176.870 0.824 0.000 1.036 103 L CA -1.134 53.949 54.840 0.405 0.000 0.807 103 L CB 1.754 43.766 42.059 -0.078 0.000 1.231 103 L HN 0.845 nan 8.230 nan 0.000 0.438 104 Y N -0.180 120.548 120.300 0.713 0.000 2.624 104 Y HA 0.473 5.023 4.550 -0.000 0.000 0.334 104 Y C -0.328 175.752 175.900 0.299 0.000 1.155 104 Y CA -1.951 56.543 58.100 0.656 0.000 1.046 104 Y CB 1.235 40.072 38.460 0.628 0.000 1.316 104 Y HN 0.450 nan 8.280 nan 0.000 0.457 105 S N -0.070 115.448 115.700 -0.303 0.000 2.900 105 S HA 0.376 4.846 4.470 -0.000 0.000 0.253 105 S C -0.710 173.307 174.600 -0.972 0.000 1.029 105 S CA 0.210 57.766 58.200 -1.075 0.000 1.096 105 S CB -0.504 62.137 63.200 -0.932 0.000 1.067 105 S HN 1.067 nan 8.310 nan 0.000 0.610 106 H N 0.581 119.326 119.070 -0.542 0.000 3.012 106 H HA 0.517 5.073 4.556 -0.000 0.000 0.367 106 H C -1.531 173.854 175.328 0.094 0.000 1.211 106 H CA -0.372 55.548 56.048 -0.213 0.000 1.139 106 H CB 1.224 30.917 29.762 -0.116 0.000 1.838 106 H HN 0.015 nan 8.280 nan 0.000 0.550 107 D N 1.399 121.632 120.400 -0.278 0.000 2.506 107 D HA 0.354 4.994 4.640 -0.000 0.000 0.234 107 D C -0.447 176.046 176.300 0.321 0.000 1.143 107 D CA 1.122 55.167 54.000 0.076 0.000 0.871 107 D CB 0.656 41.390 40.800 -0.109 0.000 1.190 107 D HN 0.647 nan 8.370 nan 0.000 0.459 108 A N 1.610 124.628 122.820 0.330 0.000 2.454 108 A HA 0.647 4.967 4.320 -0.000 0.000 0.302 108 A C -0.443 177.227 177.584 0.142 0.000 1.079 108 A CA -0.730 51.450 52.037 0.237 0.000 0.731 108 A CB 1.614 20.753 19.000 0.231 0.000 1.299 108 A HN 0.349 nan 8.150 nan 0.000 0.413 109 T N 1.524 116.150 114.554 0.120 0.000 2.756 109 T HA 0.479 4.829 4.350 -0.000 0.000 0.290 109 T C -0.492 174.330 174.700 0.203 0.000 0.985 109 T CA -0.186 62.021 62.100 0.178 0.000 0.955 109 T CB 0.805 69.827 68.868 0.256 0.000 0.930 109 T HN 0.449 nan 8.240 nan 0.000 0.451 110 V N 4.920 124.933 119.914 0.164 0.000 2.348 110 V HA 0.354 4.474 4.120 -0.000 0.000 0.270 110 V C 0.425 176.542 176.094 0.038 0.000 1.037 110 V CA -0.700 61.668 62.300 0.113 0.000 0.872 110 V CB 0.955 32.888 31.823 0.184 0.000 1.002 110 V HN 0.690 nan 8.190 nan 0.000 0.464 111 K N 6.078 126.444 120.400 -0.058 0.000 2.234 111 K HA 0.610 4.929 4.320 -0.000 0.000 0.277 111 K C -1.071 175.358 176.600 -0.285 0.000 1.038 111 K CA -0.488 55.565 56.287 -0.390 0.000 0.888 111 K CB 0.847 32.910 32.500 -0.728 0.000 1.091 111 K HN 0.615 nan 8.250 nan 0.000 0.467 112 I N 2.733 123.149 120.570 -0.257 0.000 2.404 112 I HA 0.230 4.400 4.170 -0.000 0.000 0.293 112 I C -0.554 175.523 176.117 -0.067 0.000 0.992 112 I CA -0.608 60.640 61.300 -0.086 0.000 1.149 112 I CB 2.148 40.179 38.000 0.050 0.000 1.315 112 I HN 0.519 nan 8.210 nan 0.000 0.446 113 S N 5.621 121.298 115.700 -0.039 0.000 2.536 113 S HA 0.658 5.128 4.470 -0.000 0.000 0.287 113 S C -0.497 174.089 174.600 -0.025 0.000 1.101 113 S CA -0.971 57.202 58.200 -0.045 0.000 0.950 113 S CB 2.253 65.385 63.200 -0.113 0.000 1.056 113 S HN 0.499 nan 8.310 nan 0.000 0.481 114 R N 0.844 121.308 120.500 -0.061 0.000 2.943 114 R HA 0.480 4.820 4.340 -0.000 0.000 0.246 114 R C -0.313 175.907 176.300 -0.133 0.000 1.201 114 R CA -1.166 54.847 56.100 -0.145 0.000 1.056 114 R CB 0.390 30.546 30.300 -0.241 0.000 1.243 114 R HN 0.578 nan 8.270 nan 0.000 0.498 115 N N 0.231 118.834 118.700 -0.162 0.000 2.174 115 N HA -0.137 4.603 4.740 -0.000 0.000 0.229 115 N C 1.109 176.563 175.510 -0.093 0.000 1.259 115 N CA 0.788 53.763 53.050 -0.126 0.000 0.859 115 N CB 0.178 38.587 38.487 -0.130 0.000 1.086 115 N HN 0.856 nan 8.380 nan 0.000 0.446 116 G N -0.004 108.749 108.800 -0.077 0.000 2.448 116 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 116 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 116 G C 1.410 176.280 174.900 -0.051 0.000 1.135 116 G CA 0.467 45.532 45.100 -0.059 0.000 0.784 116 G HN 0.500 nan 8.290 nan 0.000 0.543 117 S N 0.726 116.392 115.700 -0.057 0.000 2.414 117 S HA 0.047 4.516 4.470 -0.000 0.000 0.227 117 S C 1.464 176.033 174.600 -0.052 0.000 1.022 117 S CA 0.034 58.203 58.200 -0.050 0.000 0.958 117 S CB -0.040 63.128 63.200 -0.054 0.000 0.797 117 S HN 0.263 nan 8.310 nan 0.000 0.493 118 S N 2.662 118.319 115.700 -0.071 0.000 2.737 118 S HA 0.296 4.766 4.470 -0.000 0.000 0.315 118 S C 0.440 175.016 174.600 -0.040 0.000 1.236 118 S CA -0.356 57.799 58.200 -0.075 0.000 1.093 118 S CB 0.045 63.174 63.200 -0.120 0.000 0.832 118 S HN 0.537 nan 8.310 nan 0.000 0.507 119 A N 3.804 126.609 122.820 -0.025 0.000 2.386 119 A HA 0.285 4.605 4.320 -0.000 0.000 0.246 119 A C 0.584 178.178 177.584 0.017 0.000 1.089 119 A CA -0.515 51.518 52.037 -0.006 0.000 0.790 119 A CB 0.050 19.046 19.000 -0.006 0.000 1.042 119 A HN 0.757 nan 8.150 nan 0.000 0.497 120 N N -0.028 118.685 118.700 0.023 0.000 2.513 120 N HA 0.337 5.077 4.740 -0.000 0.000 0.268 120 N C -0.567 174.961 175.510 0.031 0.000 1.180 120 N CA 0.870 53.946 53.050 0.043 0.000 0.948 120 N CB 0.631 39.127 38.487 0.015 0.000 1.083 120 N HN 0.618 nan 8.380 nan 0.000 0.455 121 S N 2.613 118.368 115.700 0.091 0.000 2.548 121 S HA 0.417 4.887 4.470 -0.000 0.000 0.276 121 S C -1.010 173.604 174.600 0.023 0.000 1.129 121 S CA -0.991 57.259 58.200 0.083 0.000 0.931 121 S CB 0.384 63.714 63.200 0.215 0.000 1.068 121 S HN 0.631 nan 8.310 nan 0.000 0.480 122 N N 1.421 120.046 118.700 -0.125 0.000 2.371 122 N HA 0.339 5.079 4.740 -0.000 0.000 0.243 122 N C -0.050 175.469 175.510 0.015 0.000 1.287 122 N CA 0.069 53.020 53.050 -0.166 0.000 0.911 122 N CB 1.107 39.505 38.487 -0.148 0.000 1.142 122 N HN 0.649 nan 8.380 nan 0.000 0.451 123 V N -2.286 117.679 119.914 0.085 0.000 3.001 123 V HA 0.709 4.829 4.120 -0.000 0.000 0.314 123 V C -0.335 175.737 176.094 -0.037 0.000 1.099 123 V CA -0.849 61.385 62.300 -0.111 0.000 0.989 123 V CB 1.888 33.497 31.823 -0.357 0.000 1.040 123 V HN 0.226 nan 8.190 nan 0.000 0.434 124 V N 4.137 124.015 119.914 -0.060 0.000 2.444 124 V HA 0.503 4.623 4.120 -0.000 0.000 0.294 124 V C -0.438 175.634 176.094 -0.036 0.000 1.022 124 V CA -0.442 61.837 62.300 -0.035 0.000 0.850 124 V CB 1.493 33.306 31.823 -0.016 0.000 0.992 124 V HN 0.738 nan 8.190 nan 0.000 0.426 125 I N 5.314 125.851 120.570 -0.055 0.000 2.365 125 I HA 0.518 4.688 4.170 -0.000 0.000 0.291 125 I C 0.358 176.440 176.117 -0.057 0.000 1.004 125 I CA -0.188 61.089 61.300 -0.039 0.000 1.311 125 I CB 1.263 39.172 38.000 -0.152 0.000 1.401 125 I HN 0.552 nan 8.210 nan 0.000 0.491 126 R N 7.069 127.585 120.500 0.027 0.000 2.561 126 R HA 0.436 4.775 4.340 -0.000 0.000 0.297 126 R C -2.530 173.824 176.300 0.089 0.000 0.969 126 R CA -1.728 54.368 56.100 -0.007 0.000 0.879 126 R CB 2.261 32.529 30.300 -0.052 0.000 1.178 126 R HN 0.357 nan 8.270 nan 0.000 0.445 127 P HA -0.058 nan 4.420 nan 0.000 0.268 127 P C 0.650 177.862 177.300 -0.148 0.000 1.205 127 P CA 0.143 63.200 63.100 -0.071 0.000 0.771 127 P CB 0.829 32.498 31.700 -0.051 0.000 0.858 128 T N -1.746 112.723 114.554 -0.141 0.000 3.113 128 T HA -0.100 4.250 4.350 -0.000 0.000 0.263 128 T C 1.668 176.267 174.700 -0.169 0.000 1.143 128 T CA 1.122 63.129 62.100 -0.155 0.000 1.090 128 T CB -0.894 67.903 68.868 -0.118 0.000 0.922 128 T HN 0.468 nan 8.240 nan 0.000 0.521 129 S N 1.750 117.357 115.700 -0.155 0.000 2.423 129 S HA 0.035 4.505 4.470 -0.000 0.000 0.231 129 S C 1.970 176.445 174.600 -0.208 0.000 1.014 129 S CA 0.387 58.506 58.200 -0.135 0.000 0.965 129 S CB -0.904 62.245 63.200 -0.086 0.000 0.785 129 S HN 0.531 nan 8.310 nan 0.000 0.495 130 L N 1.794 122.797 121.223 -0.367 0.000 1.990 130 L HA -0.158 4.182 4.340 -0.000 0.000 0.213 130 L C 1.634 178.153 176.870 -0.586 0.000 1.072 130 L CA 1.688 56.102 54.840 -0.709 0.000 0.755 130 L CB -1.215 39.993 42.059 -1.419 0.000 0.889 130 L HN 0.576 nan 8.230 nan 0.000 0.432 131 N N -0.580 117.841 118.700 -0.465 0.000 2.738 131 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 131 N C -0.286 175.174 175.510 -0.083 0.000 1.047 131 N CA -0.345 52.572 53.050 -0.222 0.000 0.707 131 N CB -0.882 37.537 38.487 -0.113 0.000 0.937 131 N HN 0.167 nan 8.380 nan 0.000 0.545 132 F N 0.401 120.215 119.950 -0.227 0.000 2.459 132 F HA 0.269 4.795 4.527 -0.000 0.000 0.346 132 F C -1.312 174.396 175.800 -0.153 0.000 1.128 132 F CA -2.027 55.836 58.000 -0.228 0.000 1.268 132 F CB 0.437 39.226 39.000 -0.352 0.000 1.161 132 F HN 0.058 nan 8.300 nan 0.000 0.583 133 P HA 0.048 nan 4.420 nan 0.000 0.264 133 P C -1.076 176.222 177.300 -0.003 0.000 1.193 133 P CA 0.129 63.242 63.100 0.021 0.000 0.763 133 P CB 0.707 32.411 31.700 0.007 0.000 0.810 134 V N 4.907 124.795 119.914 -0.043 0.000 2.531 134 V HA 0.509 4.629 4.120 -0.000 0.000 0.301 134 V C 0.140 176.114 176.094 -0.200 0.000 1.034 134 V CA -0.545 61.674 62.300 -0.136 0.000 0.865 134 V CB 1.756 33.473 31.823 -0.177 0.000 0.995 134 V HN 0.464 nan 8.190 nan 0.000 0.424 135 R N 3.363 123.726 120.500 -0.228 0.000 2.686 135 R HA 0.653 4.992 4.340 -0.000 0.000 0.286 135 R C -1.921 174.235 176.300 -0.241 0.000 0.969 135 R CA -0.563 55.439 56.100 -0.163 0.000 0.898 135 R CB 1.849 32.124 30.300 -0.042 0.000 1.183 135 R HN 0.620 nan 8.270 nan 0.000 0.456 136 Y N 1.193 121.572 120.300 0.133 0.000 2.409 136 Y HA 0.475 5.025 4.550 -0.000 0.000 0.339 136 Y C -0.458 175.533 175.900 0.151 0.000 1.033 136 Y CA -0.438 57.754 58.100 0.153 0.000 1.094 136 Y CB 2.265 40.778 38.460 0.090 0.000 1.210 136 Y HN 0.725 nan 8.280 nan 0.000 0.456 137 D N 1.032 121.639 120.400 0.345 0.000 2.706 137 D HA 0.123 4.763 4.640 -0.000 0.000 0.229 137 D C -1.508 174.933 176.300 0.235 0.000 1.145 137 D CA -0.558 53.584 54.000 0.236 0.000 0.746 137 D CB 0.610 41.489 40.800 0.133 0.000 2.093 137 D HN 0.546 nan 8.370 nan 0.000 0.473 138 N N 2.738 121.519 118.700 0.136 0.000 2.629 138 N HA -0.231 4.509 4.740 -0.000 0.000 0.278 138 N C -0.584 174.972 175.510 0.076 0.000 1.102 138 N CA 1.515 54.619 53.050 0.091 0.000 0.759 138 N CB -0.347 38.187 38.487 0.078 0.000 0.911 138 N HN 0.585 nan 8.380 nan 0.000 0.553 139 Q N -1.998 117.845 119.800 0.072 0.000 2.450 139 Q HA -0.237 4.103 4.340 -0.000 0.000 0.255 139 Q C -0.764 175.264 176.000 0.046 0.000 1.003 139 Q CA 1.814 57.647 55.803 0.051 0.000 1.097 139 Q CB -1.505 27.236 28.738 0.005 0.000 1.544 139 Q HN 0.635 nan 8.270 nan 0.000 0.531 140 S N -1.790 113.952 115.700 0.070 0.000 2.618 140 S HA 0.806 5.276 4.470 -0.000 0.000 0.277 140 S C -0.744 173.854 174.600 -0.002 0.000 1.138 140 S CA -0.738 57.434 58.200 -0.047 0.000 0.844 140 S CB 2.529 65.540 63.200 -0.315 0.000 1.127 140 S HN -0.011 nan 8.310 nan 0.000 0.474 141 V N 2.134 121.968 119.914 -0.133 0.000 2.448 141 V HA 0.442 4.562 4.120 -0.000 0.000 0.295 141 V C -1.679 174.218 176.094 -0.329 0.000 1.025 141 V CA -0.546 61.662 62.300 -0.153 0.000 0.859 141 V CB 0.859 32.635 31.823 -0.079 0.000 0.988 141 V HN 0.852 nan 8.190 nan 0.000 0.431 142 Y N 4.947 125.145 120.300 -0.171 0.000 2.342 142 Y HA 0.606 5.155 4.550 -0.000 0.000 0.338 142 Y C 0.197 176.039 175.900 -0.096 0.000 0.965 142 Y CA -0.490 57.553 58.100 -0.096 0.000 1.159 142 Y CB 1.365 39.785 38.460 -0.065 0.000 1.157 142 Y HN 0.459 nan 8.280 nan 0.000 0.486 143 I N 3.650 124.266 120.570 0.076 0.000 2.355 143 I HA 0.224 4.394 4.170 -0.000 0.000 0.288 143 I C -0.295 175.862 176.117 0.067 0.000 0.999 143 I CA -0.533 60.803 61.300 0.060 0.000 1.163 143 I CB 1.456 39.519 38.000 0.105 0.000 1.316 143 I HN 0.541 nan 8.210 nan 0.000 0.454 144 T N 6.154 120.716 114.554 0.012 0.000 2.738 144 T HA 0.253 4.603 4.350 -0.000 0.000 0.294 144 T C 0.107 174.657 174.700 -0.250 0.000 0.914 144 T CA -0.310 61.766 62.100 -0.039 0.000 1.052 144 T CB 0.470 69.322 68.868 -0.027 0.000 0.897 144 T HN 0.186 nan 8.240 nan 0.000 0.522 145 V N 7.849 127.630 119.914 -0.221 0.000 2.383 145 V HA 0.320 4.440 4.120 -0.000 0.000 0.275 145 V C -2.122 173.840 176.094 -0.220 0.000 1.036 145 V CA -2.273 59.723 62.300 -0.506 0.000 0.889 145 V CB 0.967 32.727 31.823 -0.105 0.000 0.985 145 V HN 0.631 nan 8.190 nan 0.000 0.459 146 P HA 0.194 nan 4.420 nan 0.000 0.277 146 P C -1.016 176.467 177.300 0.306 0.000 1.240 146 P CA -0.394 62.678 63.100 -0.048 0.000 0.798 146 P CB 0.430 32.058 31.700 -0.121 0.000 0.979 147 Y N 1.785 122.135 120.300 0.085 0.000 2.346 147 Y HA 0.449 4.999 4.550 -0.000 0.000 0.330 147 Y C 0.034 175.932 175.900 -0.003 0.000 1.178 147 Y CA 0.232 58.256 58.100 -0.128 0.000 1.331 147 Y CB 0.661 38.886 38.460 -0.392 0.000 1.253 147 Y HN 0.305 nan 8.280 nan 0.000 0.529 148 S N 7.226 122.274 115.700 -1.087 0.000 2.572 148 S HA 0.387 4.857 4.470 -0.000 0.000 0.274 148 S C -2.184 171.780 174.600 -1.060 0.000 1.150 148 S CA -1.511 56.166 58.200 -0.871 0.000 0.944 148 S CB 1.647 64.532 63.200 -0.525 0.000 1.071 148 S HN 0.585 nan 8.310 nan 0.000 0.479 149 P HA -0.067 nan 4.420 nan 0.000 0.226 149 P C 1.003 178.209 177.300 -0.157 0.000 1.146 149 P CA 1.248 64.166 63.100 -0.304 0.000 0.773 149 P CB -0.333 31.293 31.700 -0.124 0.000 0.772 150 T N -5.609 108.807 114.554 -0.230 0.000 3.023 150 T HA 0.440 4.790 4.350 -0.000 0.000 0.253 150 T C 1.070 175.683 174.700 -0.145 0.000 1.038 150 T CA 0.321 62.333 62.100 -0.148 0.000 0.962 150 T CB -0.300 68.468 68.868 -0.166 0.000 1.018 150 T HN 0.321 nan 8.240 nan 0.000 0.521 151 G N 0.940 109.612 108.800 -0.214 0.000 2.752 151 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.234 151 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.234 151 G C -0.967 173.748 174.900 -0.308 0.000 1.367 151 G CA -0.417 44.660 45.100 -0.038 0.000 0.879 151 G HN 0.562 nan 8.290 nan 0.000 0.563 152 Y N -0.863 119.605 120.300 0.280 0.000 2.581 152 Y HA 0.778 5.328 4.550 -0.000 0.000 0.345 152 Y C 0.621 176.738 175.900 0.361 0.000 1.036 152 Y CA -0.956 57.357 58.100 0.355 0.000 1.042 152 Y CB 2.467 41.255 38.460 0.547 0.000 1.289 152 Y HN 0.623 nan 8.280 nan 0.000 0.471 153 R N 2.491 123.336 120.500 0.576 0.000 2.539 153 R HA 0.514 4.854 4.340 -0.000 0.000 0.295 153 R C -1.840 174.766 176.300 0.511 0.000 1.138 153 R CA -0.458 55.934 56.100 0.486 0.000 0.936 153 R CB 1.091 31.614 30.300 0.371 0.000 1.182 153 R HN 0.564 nan 8.270 nan 0.000 0.459 154 F N -1.230 118.857 119.950 0.228 0.000 2.629 154 F HA 0.722 5.249 4.527 -0.000 0.000 0.316 154 F C -0.427 175.422 175.800 0.082 0.000 1.081 154 F CA -1.297 56.794 58.000 0.151 0.000 0.954 154 F CB 1.903 40.949 39.000 0.077 0.000 1.337 154 F HN 0.185 nan 8.300 nan 0.000 0.474 155 S N 1.081 116.951 115.700 0.283 0.000 2.489 155 S HA 0.713 5.183 4.470 -0.000 0.000 0.291 155 S C -1.231 173.487 174.600 0.196 0.000 1.151 155 S CA -0.501 57.816 58.200 0.195 0.000 1.082 155 S CB 1.212 64.621 63.200 0.350 0.000 1.019 155 S HN 0.618 nan 8.310 nan 0.000 0.492 156 V N 5.826 125.789 119.914 0.081 0.000 2.347 156 V HA 0.433 4.553 4.120 -0.000 0.000 0.280 156 V C -0.390 175.701 176.094 -0.004 0.000 1.021 156 V CA -0.513 61.798 62.300 0.018 0.000 0.847 156 V CB 1.246 33.032 31.823 -0.063 0.000 0.990 156 V HN 0.890 nan 8.190 nan 0.000 0.444 157 E N 4.981 125.168 120.200 -0.022 0.000 2.155 157 E HA 0.430 4.779 4.350 -0.000 0.000 0.264 157 E C -1.406 175.201 176.600 0.012 0.000 0.886 157 E CA -0.605 55.843 56.400 0.080 0.000 0.752 157 E CB 1.735 31.513 29.700 0.131 0.000 1.133 157 E HN 0.461 nan 8.360 nan 0.000 0.414 158 F N 2.488 122.503 119.950 0.109 0.000 2.472 158 F HA 0.051 4.578 4.527 -0.000 0.000 0.364 158 F C 1.455 177.309 175.800 0.090 0.000 1.090 158 F CA -0.253 57.815 58.000 0.113 0.000 1.188 158 F CB 0.492 39.579 39.000 0.146 0.000 1.105 158 F HN 0.414 nan 8.300 nan 0.000 0.536 159 D N 1.437 121.950 120.400 0.189 0.000 2.149 159 D HA -0.229 4.411 4.640 -0.000 0.000 0.194 159 D C 1.646 178.021 176.300 0.125 0.000 1.001 159 D CA 1.837 55.910 54.000 0.122 0.000 0.849 159 D CB -0.285 40.557 40.800 0.070 0.000 0.939 159 D HN 0.616 nan 8.370 nan 0.000 0.449 160 D N -0.480 120.010 120.400 0.150 0.000 2.336 160 D HA -0.084 4.556 4.640 -0.000 0.000 0.229 160 D C 0.729 177.088 176.300 0.099 0.000 1.061 160 D CA 0.283 54.344 54.000 0.102 0.000 0.875 160 D CB -0.139 40.709 40.800 0.079 0.000 0.904 160 D HN 0.134 nan 8.370 nan 0.000 0.525 161 D N -0.545 119.944 120.400 0.149 0.000 2.433 161 D HA 0.115 4.755 4.640 -0.000 0.000 0.211 161 D C 0.086 176.459 176.300 0.122 0.000 1.114 161 D CA -0.283 53.796 54.000 0.132 0.000 0.837 161 D CB 0.196 41.116 40.800 0.201 0.000 0.984 161 D HN 0.098 nan 8.370 nan 0.000 0.505 162 L N 1.944 123.234 121.223 0.112 0.000 2.380 162 L HA 0.341 4.680 4.340 -0.000 0.000 0.273 162 L C 0.475 177.378 176.870 0.055 0.000 1.138 162 L CA -0.336 54.558 54.840 0.089 0.000 0.832 162 L CB 0.905 43.013 42.059 0.082 0.000 1.124 162 L HN 0.116 nan 8.230 nan 0.000 0.454 163 I N -1.450 119.143 120.570 0.039 0.000 3.042 163 I HA 0.539 4.709 4.170 -0.000 0.000 0.310 163 I C -0.496 175.616 176.117 -0.008 0.000 1.117 163 I CA -0.716 60.590 61.300 0.011 0.000 1.003 163 I CB 2.305 40.303 38.000 -0.003 0.000 1.228 163 I HN 0.304 nan 8.210 nan 0.000 0.443 164 S N 3.674 119.363 115.700 -0.017 0.000 2.457 164 S HA 0.569 5.039 4.470 -0.000 0.000 0.289 164 S C -0.287 174.266 174.600 -0.078 0.000 1.163 164 S CA -0.625 57.560 58.200 -0.025 0.000 1.078 164 S CB 0.845 64.046 63.200 0.002 0.000 0.987 164 S HN 0.367 nan 8.310 nan 0.000 0.482 165 L N 3.373 124.522 121.223 -0.124 0.000 2.259 165 L HA 0.491 4.831 4.340 -0.000 0.000 0.288 165 L C 0.566 177.405 176.870 -0.052 0.000 1.051 165 L CA -0.632 54.041 54.840 -0.279 0.000 0.824 165 L CB 0.598 42.372 42.059 -0.474 0.000 1.206 165 L HN 0.648 nan 8.230 nan 0.000 0.429 166 A N 6.046 128.896 122.820 0.050 0.000 2.371 166 A HA 0.512 4.832 4.320 -0.000 0.000 0.257 166 A C -1.399 176.332 177.584 0.244 0.000 1.089 166 A CA -0.995 51.124 52.037 0.137 0.000 0.794 166 A CB 0.131 19.207 19.000 0.126 0.000 1.029 166 A HN 0.645 nan 8.150 nan 0.000 0.488 167 P HA -0.005 nan 4.420 nan 0.000 0.255 167 P C 1.064 178.435 177.300 0.120 0.000 1.248 167 P CA 0.975 64.153 63.100 0.131 0.000 0.807 167 P CB 0.296 32.066 31.700 0.117 0.000 1.150 168 S N -0.051 115.733 115.700 0.140 0.000 2.406 168 S HA 0.096 4.566 4.470 -0.000 0.000 0.228 168 S C 1.850 176.506 174.600 0.094 0.000 1.020 168 S CA 1.243 59.520 58.200 0.128 0.000 0.965 168 S CB -1.530 61.763 63.200 0.156 0.000 0.798 168 S HN 0.277 nan 8.310 nan 0.000 0.488 169 G N 1.075 109.918 108.800 0.071 0.000 2.143 169 G HA2 -0.077 3.882 3.960 -0.000 0.000 0.249 169 G HA3 -0.077 3.882 3.960 -0.000 0.000 0.249 169 G C 0.267 175.191 174.900 0.040 0.000 0.981 169 G CA 0.130 45.258 45.100 0.047 0.000 0.665 169 G HN 1.404 nan 8.290 nan 0.000 0.528 170 A N -0.340 122.507 122.820 0.046 0.000 2.565 170 A HA 0.558 4.878 4.320 -0.000 0.000 0.237 170 A C 0.780 178.385 177.584 0.035 0.000 1.053 170 A CA 0.742 52.810 52.037 0.053 0.000 0.755 170 A CB 0.172 19.216 19.000 0.072 0.000 0.980 170 A HN 0.607 nan 8.150 nan 0.000 0.506 171 R N 1.572 122.103 120.500 0.053 0.000 2.202 171 R HA 0.428 4.768 4.340 -0.000 0.000 0.334 171 R C -0.266 176.084 176.300 0.084 0.000 1.036 171 R CA 0.446 56.577 56.100 0.053 0.000 0.878 171 R CB 0.403 30.733 30.300 0.049 0.000 1.067 171 R HN 0.889 nan 8.270 nan 0.000 0.457 172 Q N 3.527 123.358 119.800 0.053 0.000 2.511 172 Q HA 0.442 4.782 4.340 -0.000 0.000 0.289 172 Q C -2.596 173.458 176.000 0.090 0.000 1.021 172 Q CA -2.437 53.382 55.803 0.026 0.000 0.785 172 Q CB 2.400 31.099 28.738 -0.065 0.000 1.472 172 Q HN 0.336 nan 8.270 nan 0.000 0.411 173 P HA -0.068 nan 4.420 nan 0.000 0.268 173 P C -0.099 177.310 177.300 0.181 0.000 1.205 173 P CA 0.399 63.629 63.100 0.217 0.000 0.771 173 P CB 0.669 32.561 31.700 0.321 0.000 0.858 174 E N 2.826 123.109 120.200 0.138 0.000 2.122 174 E HA -0.052 4.298 4.350 -0.000 0.000 0.190 174 E C -0.132 176.530 176.600 0.103 0.000 0.977 174 E CA 0.615 57.069 56.400 0.090 0.000 0.820 174 E CB 0.129 29.860 29.700 0.051 0.000 0.770 174 E HN 0.369 nan 8.360 nan 0.000 0.462 175 N N 1.230 120.021 118.700 0.153 0.000 2.776 175 N HA 0.255 4.994 4.740 -0.000 0.000 0.245 175 N C -1.146 174.555 175.510 0.318 0.000 1.121 175 N CA -0.088 53.078 53.050 0.194 0.000 0.852 175 N CB 1.607 40.167 38.487 0.121 0.000 1.142 175 N HN 0.104 nan 8.380 nan 0.000 0.514 176 A N 1.576 124.515 122.820 0.199 0.000 2.386 176 A HA 0.439 4.759 4.320 -0.000 0.000 0.248 176 A C -0.104 177.524 177.584 0.072 0.000 1.082 176 A CA -0.086 52.045 52.037 0.157 0.000 0.789 176 A CB 0.360 19.341 19.000 -0.032 0.000 1.025 176 A HN 0.555 nan 8.150 nan 0.000 0.490 177 L N 2.619 123.816 121.223 -0.043 0.000 2.446 177 L HA 0.552 4.892 4.340 -0.000 0.000 0.268 177 L C -1.617 175.127 176.870 -0.211 0.000 0.975 177 L CA -0.402 54.306 54.840 -0.219 0.000 0.848 177 L CB 1.443 43.166 42.059 -0.562 0.000 1.225 177 L HN 0.478 nan 8.230 nan 0.000 0.410 178 L N 5.865 126.905 121.223 -0.304 0.000 2.309 178 L HA 0.571 4.910 4.340 -0.000 0.000 0.282 178 L C -0.368 176.035 176.870 -0.778 0.000 1.036 178 L CA -0.464 54.023 54.840 -0.588 0.000 0.806 178 L CB 1.657 43.179 42.059 -0.895 0.000 1.220 178 L HN 0.412 nan 8.230 nan 0.000 0.429 179 I N 3.797 123.798 120.570 -0.948 0.000 2.382 179 I HA 0.279 4.449 4.170 -0.000 0.000 0.285 179 I C -0.792 174.922 176.117 -0.672 0.000 1.007 179 I CA -0.418 60.379 61.300 -0.839 0.000 1.142 179 I CB 1.093 38.471 38.000 -1.036 0.000 1.289 179 I HN 0.244 nan 8.210 nan 0.000 0.453 180 F N 5.058 124.835 119.950 -0.288 0.000 2.293 180 F HA 0.541 5.068 4.527 -0.000 0.000 0.370 180 F C 0.780 176.327 175.800 -0.422 0.000 1.090 180 F CA -1.350 56.513 58.000 -0.229 0.000 1.133 180 F CB 1.022 39.977 39.000 -0.074 0.000 1.360 180 F HN 0.468 nan 8.300 nan 0.000 0.489 181 A N 2.445 125.076 122.820 -0.314 0.000 2.260 181 A HA 0.710 5.030 4.320 -0.000 0.000 0.312 181 A C 0.029 177.523 177.584 -0.151 0.000 1.321 181 A CA -0.230 51.293 52.037 -0.858 0.000 0.928 181 A CB 0.222 18.653 19.000 -0.948 0.000 1.158 181 A HN 0.546 nan 8.150 nan 0.000 0.542 182 S N 3.487 119.185 115.700 -0.003 0.000 2.648 182 S HA 0.764 5.233 4.470 -0.000 0.000 0.305 182 S C -2.732 172.149 174.600 0.467 0.000 1.094 182 S CA -1.200 57.161 58.200 0.269 0.000 0.983 182 S CB 1.794 65.141 63.200 0.244 0.000 1.101 182 S HN 0.686 nan 8.310 nan 0.000 0.514 183 P HA 0.277 nan 4.420 nan 0.000 0.276 183 P C -0.630 176.950 177.300 0.466 0.000 1.252 183 P CA -0.518 62.891 63.100 0.514 0.000 0.802 183 P CB 0.372 32.305 31.700 0.388 0.000 1.035 184 F N -0.122 119.937 119.950 0.182 0.000 2.535 184 F HA 0.011 4.538 4.527 -0.000 0.000 0.332 184 F C 1.559 177.469 175.800 0.185 0.000 1.208 184 F CA -0.041 58.050 58.000 0.151 0.000 1.330 184 F CB 0.283 39.353 39.000 0.117 0.000 1.167 184 F HN 0.226 nan 8.300 nan 0.000 0.597 185 E N 1.438 121.836 120.200 0.330 0.000 2.167 185 E HA 0.111 4.461 4.350 -0.000 0.000 0.284 185 E C -0.628 176.126 176.600 0.257 0.000 1.016 185 E CA -0.804 55.786 56.400 0.317 0.000 0.817 185 E CB 0.654 30.564 29.700 0.349 0.000 1.080 185 E HN 0.431 nan 8.360 nan 0.000 0.397 186 N N 0.597 119.427 118.700 0.217 0.000 2.364 186 N HA -0.039 4.701 4.740 -0.000 0.000 0.264 186 N C 0.695 176.293 175.510 0.147 0.000 1.263 186 N CA -0.446 52.700 53.050 0.160 0.000 0.959 186 N CB 0.348 38.908 38.487 0.122 0.000 1.204 186 N HN 0.312 nan 8.380 nan 0.000 0.550 187 S N -2.090 113.679 115.700 0.115 0.000 2.584 187 S HA -0.073 4.397 4.470 -0.000 0.000 0.240 187 S C 1.072 175.754 174.600 0.136 0.000 0.975 187 S CA 0.562 58.835 58.200 0.121 0.000 0.949 187 S CB -0.675 62.578 63.200 0.088 0.000 0.761 187 S HN 0.498 nan 8.310 nan 0.000 0.536 188 S N 1.182 116.935 115.700 0.088 0.000 2.470 188 S HA 0.064 4.534 4.470 -0.000 0.000 0.222 188 S C 1.880 176.481 174.600 0.001 0.000 1.024 188 S CA 0.870 59.061 58.200 -0.015 0.000 0.931 188 S CB 0.085 63.255 63.200 -0.050 0.000 0.791 188 S HN 0.916 nan 8.310 nan 0.000 0.513 189 T N -0.992 113.673 114.554 0.185 0.000 3.044 189 T HA 0.351 4.701 4.350 -0.000 0.000 0.260 189 T C 0.087 175.105 174.700 0.530 0.000 1.019 189 T CA -0.288 62.008 62.100 0.327 0.000 0.921 189 T CB 0.082 69.109 68.868 0.264 0.000 1.053 189 T HN 0.097 nan 8.240 nan 0.000 0.533 190 K N 1.833 122.462 120.400 0.382 0.000 2.507 190 K HA 0.587 4.907 4.320 -0.000 0.000 0.251 190 K C -3.321 173.204 176.600 -0.126 0.000 0.943 190 K CA -2.128 54.126 56.287 -0.055 0.000 0.794 190 K CB 2.140 34.620 32.500 -0.033 0.000 1.188 190 K HN -0.066 nan 8.250 nan 0.000 0.428 191 P HA 0.050 nan 4.420 nan 0.000 0.277 191 P C -1.260 175.843 177.300 -0.329 0.000 1.240 191 P CA -0.562 62.188 63.100 -0.583 0.000 0.798 191 P CB 0.869 31.975 31.700 -0.990 0.000 0.979 192 Q N 3.422 123.122 119.800 -0.167 0.000 2.354 192 Q HA 0.120 4.460 4.340 -0.000 0.000 0.244 192 Q C -1.489 174.437 176.000 -0.124 0.000 0.969 192 Q CA -1.716 54.027 55.803 -0.100 0.000 0.885 192 Q CB 0.511 29.227 28.738 -0.038 0.000 1.241 192 Q HN 0.316 nan 8.270 nan 0.000 0.461 193 P HA 0.007 nan 4.420 nan 0.000 0.239 193 P C 0.046 177.308 177.300 -0.062 0.000 1.184 193 P CA 0.635 63.690 63.100 -0.073 0.000 0.760 193 P CB 0.101 31.779 31.700 -0.038 0.000 0.884 194 G N -0.101 108.665 108.800 -0.056 0.000 4.904 194 G HA2 0.280 4.240 3.960 -0.000 0.000 0.265 194 G HA3 0.280 4.240 3.960 -0.000 0.000 0.265 194 G C -0.043 174.834 174.900 -0.038 0.000 1.227 194 G CA -0.080 44.995 45.100 -0.041 0.000 0.926 194 G HN 0.275 nan 8.290 nan 0.000 0.581 195 S N 0.947 116.612 115.700 -0.059 0.000 2.693 195 S HA 0.751 5.221 4.470 -0.000 0.000 0.276 195 S C -2.197 172.388 174.600 -0.024 0.000 1.192 195 S CA -1.229 56.948 58.200 -0.038 0.000 0.994 195 S CB 1.793 64.952 63.200 -0.068 0.000 1.012 195 S HN 0.153 nan 8.310 nan 0.000 0.550 196 P HA 0.214 nan 4.420 nan 0.000 0.271 196 P C -0.526 176.779 177.300 0.008 0.000 1.226 196 P CA 0.035 63.142 63.100 0.012 0.000 0.765 196 P CB -0.206 31.512 31.700 0.031 0.000 0.835 197 N N 1.214 119.912 118.700 -0.003 0.000 2.667 197 N HA -0.163 4.576 4.740 -0.000 0.000 0.263 197 N C -0.802 174.694 175.510 -0.022 0.000 1.038 197 N CA 1.069 54.115 53.050 -0.007 0.000 0.749 197 N CB -1.210 37.284 38.487 0.011 0.000 0.892 197 N HN 0.576 nan 8.380 nan 0.000 0.546 198 S N 0.124 115.792 115.700 -0.053 0.000 2.638 198 S HA 0.808 5.278 4.470 -0.000 0.000 0.302 198 S C -0.119 174.420 174.600 -0.102 0.000 1.096 198 S CA -1.027 57.118 58.200 -0.092 0.000 0.953 198 S CB 2.604 65.720 63.200 -0.141 0.000 1.107 198 S HN 0.416 nan 8.310 nan 0.000 0.503 199 I N 0.467 120.953 120.570 -0.140 0.000 2.569 199 I HA 0.678 4.848 4.170 -0.000 0.000 0.290 199 I C -1.115 174.871 176.117 -0.218 0.000 1.088 199 I CA -1.040 60.172 61.300 -0.147 0.000 1.047 199 I CB 1.798 39.719 38.000 -0.130 0.000 1.237 199 I HN 0.956 nan 8.210 nan 0.000 0.421 200 A N 9.063 131.774 122.820 -0.182 0.000 2.654 200 A HA 0.617 4.937 4.320 -0.000 0.000 0.345 200 A C -2.461 175.027 177.584 -0.160 0.000 1.368 200 A CA -1.310 50.602 52.037 -0.207 0.000 0.895 200 A CB -0.321 18.607 19.000 -0.120 0.000 1.143 200 A HN 0.525 nan 8.150 nan 0.000 0.490 201 P HA 0.268 nan 4.420 nan 0.000 0.266 201 P C 0.256 177.623 177.300 0.112 0.000 1.195 201 P CA 0.185 63.225 63.100 -0.099 0.000 0.768 201 P CB 0.888 32.485 31.700 -0.172 0.000 0.838 202 A N 4.895 127.777 122.820 0.103 0.000 2.313 202 A HA 0.487 4.807 4.320 -0.000 0.000 0.261 202 A C -2.037 175.636 177.584 0.147 0.000 1.090 202 A CA -1.264 50.845 52.037 0.121 0.000 0.807 202 A CB -1.277 17.739 19.000 0.026 0.000 1.055 202 A HN 0.418 nan 8.150 nan 0.000 0.492 203 P HA 0.425 nan 4.420 nan 0.000 0.271 203 P C 0.787 177.962 177.300 -0.207 0.000 1.233 203 P CA 1.499 64.369 63.100 -0.382 0.000 0.789 203 P CB 0.428 31.922 31.700 -0.343 0.000 0.951 204 G N -0.196 108.449 108.800 -0.258 0.000 2.445 204 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.212 204 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.212 204 G C -0.652 173.746 174.900 -0.838 0.000 1.217 204 G CA -0.585 44.327 45.100 -0.314 0.000 1.002 204 G HN 0.716 nan 8.290 nan 0.000 0.574 205 R N -0.190 119.796 120.500 -0.857 0.000 2.489 205 R HA 0.503 4.843 4.340 -0.000 0.000 0.287 205 R C 0.024 176.006 176.300 -0.529 0.000 1.053 205 R CA 0.221 55.806 56.100 -0.858 0.000 1.036 205 R CB 0.635 30.682 30.300 -0.422 0.000 0.966 205 R HN 0.813 nan 8.270 nan 0.000 0.432 206 V N 7.302 126.816 119.914 -0.667 0.000 2.328 206 V HA 0.373 4.493 4.120 -0.000 0.000 0.278 206 V C -0.045 175.772 176.094 -0.461 0.000 1.021 206 V CA -0.524 61.448 62.300 -0.547 0.000 0.838 206 V CB 0.758 32.144 31.823 -0.728 0.000 0.999 206 V HN 0.603 nan 8.190 nan 0.000 0.447 207 L N 3.280 124.370 121.223 -0.222 0.000 2.323 207 L HA 0.863 5.203 4.340 -0.000 0.000 0.265 207 L C 1.247 178.082 176.870 -0.058 0.000 1.012 207 L CA -0.147 54.623 54.840 -0.117 0.000 0.820 207 L CB 1.890 43.894 42.059 -0.092 0.000 1.334 207 L HN 0.734 nan 8.230 nan 0.000 0.427 208 G N 0.491 109.279 108.800 -0.020 0.000 2.225 208 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.254 208 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.254 208 G C 0.761 175.661 174.900 0.001 0.000 0.988 208 G CA 0.424 45.517 45.100 -0.012 0.000 0.625 208 G HN 0.493 nan 8.290 nan 0.000 0.527 209 L N 1.544 122.781 121.223 0.024 0.000 2.261 209 L HA -0.075 4.264 4.340 -0.000 0.000 0.216 209 L C 2.637 179.520 176.870 0.022 0.000 1.114 209 L CA 1.693 56.552 54.840 0.031 0.000 0.777 209 L CB -0.504 41.613 42.059 0.097 0.000 0.910 209 L HN 0.639 nan 8.230 nan 0.000 0.440 210 N N -0.807 117.904 118.700 0.018 0.000 2.467 210 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 210 N C 1.239 176.751 175.510 0.003 0.000 1.106 210 N CA 1.408 54.457 53.050 -0.002 0.000 0.892 210 N CB -0.205 38.273 38.487 -0.015 0.000 0.969 210 N HN 0.377 nan 8.380 nan 0.000 0.454 211 T N -5.062 109.495 114.554 0.005 0.000 3.058 211 T HA 0.090 4.440 4.350 -0.000 0.000 0.278 211 T C 0.658 175.360 174.700 0.003 0.000 0.974 211 T CA -0.262 61.841 62.100 0.005 0.000 0.893 211 T CB -0.175 68.695 68.868 0.004 0.000 1.138 211 T HN 0.083 nan 8.240 nan 0.000 0.529 212 T N 2.320 116.875 114.554 0.001 0.000 2.791 212 T HA 0.212 4.562 4.350 -0.000 0.000 0.323 212 T C 1.332 176.034 174.700 0.004 0.000 1.082 212 T CA 0.560 62.657 62.100 -0.004 0.000 1.084 212 T CB 0.598 69.457 68.868 -0.015 0.000 0.992 212 T HN 0.452 nan 8.240 nan 0.000 0.547 213 S N 1.364 117.065 115.700 0.001 0.000 2.554 213 S HA 0.520 4.990 4.470 -0.000 0.000 0.226 213 S C 0.785 175.391 174.600 0.011 0.000 0.980 213 S CA -0.103 58.102 58.200 0.008 0.000 0.939 213 S CB -0.072 63.131 63.200 0.005 0.000 0.832 213 S HN 0.970 nan 8.310 nan 0.000 0.486 214 A N 1.325 124.147 122.820 0.003 0.000 2.386 214 A HA 0.622 4.942 4.320 -0.000 0.000 0.246 214 A C 1.151 178.755 177.584 0.032 0.000 1.089 214 A CA -0.077 51.961 52.037 0.001 0.000 0.790 214 A CB 0.254 19.237 19.000 -0.029 0.000 1.042 214 A HN 0.356 nan 8.150 nan 0.000 0.497 215 S N -0.853 114.873 115.700 0.043 0.000 2.499 215 S HA 0.134 4.604 4.470 -0.000 0.000 0.225 215 S C 0.407 175.090 174.600 0.137 0.000 1.050 215 S CA 0.713 58.970 58.200 0.094 0.000 0.928 215 S CB 0.309 63.568 63.200 0.098 0.000 0.803 215 S HN 0.783 nan 8.310 nan 0.000 0.506 216 T N 2.214 116.805 114.554 0.061 0.000 2.841 216 T HA 0.535 4.885 4.350 -0.000 0.000 0.285 216 T C -0.847 173.774 174.700 -0.131 0.000 0.991 216 T CA -0.365 61.735 62.100 -0.000 0.000 0.966 216 T CB 2.081 70.874 68.868 -0.125 0.000 0.962 216 T HN -0.129 nan 8.240 nan 0.000 0.438 217 V N 4.155 123.978 119.914 -0.152 0.000 2.370 217 V HA 0.437 4.557 4.120 -0.000 0.000 0.279 217 V C -0.086 175.750 176.094 -0.431 0.000 1.029 217 V CA -0.658 61.464 62.300 -0.297 0.000 0.870 217 V CB 1.414 33.079 31.823 -0.263 0.000 0.984 217 V HN 0.697 nan 8.190 nan 0.000 0.451 218 V N 5.782 125.403 119.914 -0.488 0.000 2.417 218 V HA 0.480 4.600 4.120 -0.000 0.000 0.291 218 V C -0.653 175.119 176.094 -0.536 0.000 1.024 218 V CA -0.443 61.634 62.300 -0.372 0.000 0.861 218 V CB 1.443 33.124 31.823 -0.236 0.000 0.985 218 V HN 0.665 nan 8.190 nan 0.000 0.436 219 F N 4.155 123.939 119.950 -0.277 0.000 2.308 219 F HA 0.474 5.001 4.527 -0.000 0.000 0.370 219 F C 0.805 176.511 175.800 -0.156 0.000 1.100 219 F CA -0.585 57.154 58.000 -0.434 0.000 1.108 219 F CB 0.796 39.393 39.000 -0.672 0.000 1.293 219 F HN 0.455 nan 8.300 nan 0.000 0.478 220 N N 3.710 122.511 118.700 0.168 0.000 2.379 220 N HA 0.289 5.029 4.740 -0.000 0.000 0.260 220 N C -2.551 173.139 175.510 0.301 0.000 1.254 220 N CA -1.559 51.616 53.050 0.208 0.000 0.958 220 N CB 0.344 38.929 38.487 0.164 0.000 1.208 220 N HN 0.134 nan 8.380 nan 0.000 0.532 221 P HA 0.074 nan 4.420 nan 0.000 0.261 221 P C 0.132 177.555 177.300 0.204 0.000 1.173 221 P CA 0.902 64.092 63.100 0.151 0.000 0.760 221 P CB 0.116 31.854 31.700 0.063 0.000 0.783 222 G N 0.575 109.510 108.800 0.225 0.000 2.369 222 G HA2 0.204 4.164 3.960 -0.000 0.000 0.307 222 G HA3 0.204 4.164 3.960 -0.000 0.000 0.307 222 G C -1.816 173.093 174.900 0.016 0.000 1.327 222 G CA -0.782 44.349 45.100 0.052 0.000 0.963 222 G HN 0.382 nan 8.290 nan 0.000 0.590 223 V N 0.721 120.500 119.914 -0.225 0.000 2.459 223 V HA 0.766 4.885 4.120 -0.000 0.000 0.295 223 V C -0.826 175.084 176.094 -0.307 0.000 1.029 223 V CA -0.509 61.740 62.300 -0.084 0.000 0.874 223 V CB 1.050 32.867 31.823 -0.011 0.000 0.985 223 V HN 0.668 nan 8.190 nan 0.000 0.438 224 Y N 4.186 124.587 120.300 0.168 0.000 2.570 224 Y HA 0.822 5.372 4.550 -0.000 0.000 0.345 224 Y C -0.482 175.510 175.900 0.153 0.000 1.014 224 Y CA -1.233 56.907 58.100 0.068 0.000 1.063 224 Y CB 2.067 40.541 38.460 0.023 0.000 1.272 224 Y HN 0.700 nan 8.280 nan 0.000 0.477 225 Y N -1.152 119.211 120.300 0.105 0.000 2.521 225 Y HA 0.728 5.278 4.550 -0.000 0.000 0.328 225 Y C -2.272 173.555 175.900 -0.121 0.000 1.151 225 Y CA -2.160 55.983 58.100 0.071 0.000 1.054 225 Y CB 0.551 39.029 38.460 0.030 0.000 1.338 225 Y HN 0.378 nan 8.280 nan 0.000 0.453 226 F N 1.386 121.395 119.950 0.098 0.000 2.457 226 F HA 0.747 5.273 4.527 -0.000 0.000 0.330 226 F C 1.149 176.949 175.800 -0.001 0.000 1.069 226 F CA -0.210 57.792 58.000 0.004 0.000 1.009 226 F CB 1.792 40.806 39.000 0.023 0.000 1.276 226 F HN 0.782 nan 8.300 nan 0.000 0.492 227 T N -2.079 112.448 114.554 -0.045 0.000 2.914 227 T HA 0.391 4.741 4.350 -0.000 0.000 0.313 227 T C 1.262 175.758 174.700 -0.339 0.000 1.137 227 T CA -0.045 61.911 62.100 -0.241 0.000 0.946 227 T CB 0.460 68.901 68.868 -0.712 0.000 1.558 227 T HN 0.655 nan 8.240 nan 0.000 0.565 228 G N -0.412 108.209 108.800 -0.298 0.000 2.813 228 G HA2 0.030 3.989 3.960 -0.000 0.000 0.209 228 G HA3 0.030 3.989 3.960 -0.000 0.000 0.209 228 G C 1.102 175.965 174.900 -0.061 0.000 1.150 228 G CA 0.224 45.196 45.100 -0.214 0.000 0.785 228 G HN 1.016 nan 8.290 nan 0.000 0.535 229 H N -1.207 117.741 119.070 -0.204 0.000 2.467 229 H HA 0.422 4.978 4.556 -0.000 0.000 0.275 229 H C -1.104 173.732 175.328 -0.819 0.000 1.131 229 H CA -0.265 55.517 56.048 -0.442 0.000 0.989 229 H CB 0.622 30.354 29.762 -0.050 0.000 1.696 229 H HN 0.191 nan 8.280 nan 0.000 0.574 230 D N 0.899 120.736 120.400 -0.939 0.000 2.710 230 D HA 0.188 4.828 4.640 -0.000 0.000 0.276 230 D C -1.144 175.209 176.300 0.088 0.000 1.267 230 D CA -0.361 53.421 54.000 -0.363 0.000 0.772 230 D CB 1.655 42.409 40.800 -0.078 0.000 1.299 230 D HN 0.431 nan 8.370 nan 0.000 0.421 231 H N -0.121 119.012 119.070 0.105 0.000 2.960 231 H HA 0.323 4.879 4.556 -0.000 0.000 0.323 231 H C -0.992 174.158 175.328 -0.297 0.000 1.326 231 H CA -1.026 54.987 56.048 -0.058 0.000 1.124 231 H CB 0.640 30.366 29.762 -0.061 0.000 1.853 231 H HN 0.424 nan 8.280 nan 0.000 0.536 232 M N 2.955 122.024 119.600 -0.886 0.000 3.254 232 M HA 0.173 4.652 4.480 -0.000 0.000 0.257 232 M C -1.055 174.991 176.300 -0.424 0.000 1.490 232 M CA -0.355 54.465 55.300 -0.800 0.000 1.620 232 M CB -0.773 31.296 32.600 -0.883 0.000 1.157 232 M HN 0.296 nan 8.290 nan 0.000 0.541 233 V N 5.563 125.227 119.914 -0.416 0.000 2.488 233 V HA 0.196 4.315 4.120 -0.000 0.000 0.277 233 V C 0.194 176.204 176.094 -0.139 0.000 1.046 233 V CA -0.230 61.888 62.300 -0.303 0.000 0.986 233 V CB 0.965 32.615 31.823 -0.288 0.000 0.989 233 V HN 0.636 nan 8.190 nan 0.000 0.475 234 L N 5.088 126.241 121.223 -0.117 0.000 2.307 234 L HA 0.476 4.816 4.340 -0.000 0.000 0.284 234 L C 0.745 177.625 176.870 0.017 0.000 1.023 234 L CA -0.312 54.507 54.840 -0.036 0.000 0.810 234 L CB 1.923 43.958 42.059 -0.039 0.000 1.231 234 L HN 0.786 nan 8.230 nan 0.000 0.423 235 S N 0.458 116.176 115.700 0.030 0.000 2.576 235 S HA -0.016 4.454 4.470 -0.000 0.000 0.272 235 S C 1.312 175.951 174.600 0.065 0.000 1.352 235 S CA -0.128 58.094 58.200 0.036 0.000 1.021 235 S CB 1.116 64.333 63.200 0.028 0.000 0.887 235 S HN 0.774 nan 8.310 nan 0.000 0.542 236 S N 0.881 116.613 115.700 0.052 0.000 2.462 236 S HA -0.167 4.303 4.470 -0.000 0.000 0.243 236 S C 1.746 176.388 174.600 0.070 0.000 1.003 236 S CA 1.096 59.332 58.200 0.060 0.000 0.970 236 S CB -1.146 62.077 63.200 0.038 0.000 0.762 236 S HN 1.130 nan 8.310 nan 0.000 0.510 237 S N 0.299 116.040 115.700 0.067 0.000 2.478 237 S HA 0.208 4.678 4.470 -0.000 0.000 0.222 237 S C 0.536 175.196 174.600 0.100 0.000 1.008 237 S CA -0.165 58.077 58.200 0.069 0.000 0.928 237 S CB -0.500 62.730 63.200 0.049 0.000 0.781 237 S HN 0.288 nan 8.310 nan 0.000 0.518 238 V N 3.807 123.798 119.914 0.128 0.000 2.439 238 V HA 0.264 4.384 4.120 -0.000 0.000 0.271 238 V C 1.328 177.589 176.094 0.279 0.000 1.040 238 V CA 0.706 63.118 62.300 0.188 0.000 1.002 238 V CB 0.537 32.470 31.823 0.183 0.000 1.000 238 V HN 0.722 nan 8.190 nan 0.000 0.477 239 T N 0.269 114.988 114.554 0.276 0.000 3.040 239 T HA 0.164 4.514 4.350 -0.000 0.000 0.266 239 T C -0.329 174.591 174.700 0.366 0.000 1.005 239 T CA -0.249 61.996 62.100 0.242 0.000 0.906 239 T CB 0.189 69.135 68.868 0.131 0.000 1.082 239 T HN 0.507 nan 8.240 nan 0.000 0.531 240 W N 1.530 122.971 121.300 0.235 0.000 3.211 240 W HA 0.618 5.278 4.660 -0.000 0.000 0.335 240 W C -2.284 174.394 176.519 0.265 0.000 1.113 240 W CA -1.907 55.587 57.345 0.248 0.000 1.235 240 W CB 1.675 31.218 29.460 0.138 0.000 1.365 240 W HN -0.072 nan 8.180 nan 0.000 0.476 241 V N 7.128 127.497 119.914 0.759 0.000 2.444 241 V HA 0.318 4.438 4.120 -0.000 0.000 0.294 241 V C -1.272 175.022 176.094 0.333 0.000 1.022 241 V CA -0.930 61.578 62.300 0.346 0.000 0.850 241 V CB 1.360 33.407 31.823 0.373 0.000 0.992 241 V HN 0.342 nan 8.190 nan 0.000 0.426 242 Y N 5.339 125.533 120.300 -0.176 0.000 2.335 242 Y HA 0.711 5.261 4.550 -0.000 0.000 0.338 242 Y C -1.120 174.706 175.900 -0.122 0.000 0.977 242 Y CA -1.613 56.440 58.100 -0.079 0.000 1.114 242 Y CB 1.473 39.744 38.460 -0.315 0.000 1.182 242 Y HN 0.545 nan 8.280 nan 0.000 0.463 243 F N 5.793 125.511 119.950 -0.387 0.000 2.293 243 F HA 0.629 5.155 4.527 -0.000 0.000 0.370 243 F C 0.610 175.951 175.800 -0.766 0.000 1.090 243 F CA -0.726 57.054 58.000 -0.366 0.000 1.133 243 F CB 0.475 39.396 39.000 -0.131 0.000 1.360 243 F HN 0.708 nan 8.300 nan 0.000 0.489 244 A N 4.672 127.075 122.820 -0.696 0.000 2.425 244 A HA 0.447 4.767 4.320 -0.000 0.000 0.242 244 A C -2.449 174.965 177.584 -0.283 0.000 1.077 244 A CA -1.355 50.385 52.037 -0.494 0.000 0.781 244 A CB -0.220 18.742 19.000 -0.063 0.000 1.020 244 A HN 0.411 nan 8.150 nan 0.000 0.494 245 P HA 0.304 nan 4.420 nan 0.000 0.267 245 P C 0.925 177.585 177.300 -1.066 0.000 1.209 245 P CA 1.737 64.283 63.100 -0.924 0.000 0.763 245 P CB 0.772 31.851 31.700 -1.034 0.000 0.816 246 G N 2.089 110.153 108.800 -1.227 0.000 2.218 246 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.216 246 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.216 246 G C 0.272 175.197 174.900 0.042 0.000 0.994 246 G CA -0.041 44.690 45.100 -0.614 0.000 0.637 246 G HN 0.821 nan 8.290 nan 0.000 0.505 247 A N -0.234 122.636 122.820 0.083 0.000 2.309 247 A HA 0.749 5.069 4.320 -0.000 0.000 0.298 247 A C -0.836 176.968 177.584 0.366 0.000 1.165 247 A CA -0.347 51.875 52.037 0.309 0.000 0.821 247 A CB 0.921 20.051 19.000 0.217 0.000 1.102 247 A HN 1.306 nan 8.150 nan 0.000 0.500 248 Y N 2.339 122.808 120.300 0.281 0.000 2.327 248 Y HA 0.502 5.052 4.550 -0.000 0.000 0.325 248 Y C -1.088 174.911 175.900 0.165 0.000 0.999 248 Y CA -0.542 57.633 58.100 0.125 0.000 1.195 248 Y CB 1.750 40.171 38.460 -0.064 0.000 1.132 248 Y HN 0.443 nan 8.280 nan 0.000 0.455 249 V N 6.677 126.520 119.914 -0.119 0.000 2.378 249 V HA 0.375 4.495 4.120 -0.000 0.000 0.288 249 V C -0.668 175.388 176.094 -0.064 0.000 1.016 249 V CA -1.130 61.159 62.300 -0.019 0.000 0.840 249 V CB 1.470 33.184 31.823 -0.182 0.000 0.994 249 V HN 0.608 nan 8.190 nan 0.000 0.431 250 K N 3.935 124.422 120.400 0.145 0.000 2.285 250 K HA 0.707 5.026 4.320 -0.000 0.000 0.286 250 K C 0.489 177.200 176.600 0.186 0.000 1.072 250 K CA 0.111 56.473 56.287 0.126 0.000 0.913 250 K CB 1.352 33.965 32.500 0.189 0.000 1.067 250 K HN 1.014 nan 8.250 nan 0.000 0.479 251 G N 1.003 109.857 108.800 0.089 0.000 2.352 251 G HA2 0.425 4.385 3.960 -0.000 0.000 0.283 251 G HA3 0.425 4.385 3.960 -0.000 0.000 0.283 251 G C -1.938 173.013 174.900 0.085 0.000 1.308 251 G CA -0.426 44.769 45.100 0.159 0.000 0.892 251 G HN 0.640 nan 8.290 nan 0.000 0.504 252 A N -1.311 121.464 122.820 -0.076 0.000 2.515 252 A HA 0.963 5.283 4.320 -0.000 0.000 0.298 252 A C -0.434 176.976 177.584 -0.290 0.000 1.059 252 A CA 0.045 51.933 52.037 -0.248 0.000 0.698 252 A CB 1.730 20.549 19.000 -0.300 0.000 1.289 252 A HN 2.324 nan 8.150 nan 0.000 0.404 253 V N 0.084 119.782 119.914 -0.361 0.000 2.547 253 V HA 0.858 4.978 4.120 -0.000 0.000 0.299 253 V C -0.444 175.504 176.094 -0.243 0.000 1.040 253 V CA -0.274 61.851 62.300 -0.291 0.000 0.913 253 V CB 1.486 33.172 31.823 -0.227 0.000 0.992 253 V HN 1.007 nan 8.190 nan 0.000 0.449 254 E N 4.704 124.740 120.200 -0.274 0.000 2.302 254 E HA 0.425 4.775 4.350 -0.000 0.000 0.263 254 E C -1.647 174.783 176.600 -0.282 0.000 0.897 254 E CA -0.640 55.620 56.400 -0.234 0.000 0.809 254 E CB 1.213 30.898 29.700 -0.027 0.000 1.270 254 E HN 0.712 nan 8.360 nan 0.000 0.410 255 F N 3.808 123.670 119.950 -0.147 0.000 2.429 255 F HA 0.212 4.739 4.527 -0.000 0.000 0.348 255 F C 1.236 176.958 175.800 -0.129 0.000 1.109 255 F CA -0.276 57.671 58.000 -0.088 0.000 1.232 255 F CB 0.814 39.780 39.000 -0.057 0.000 1.157 255 F HN 0.522 nan 8.300 nan 0.000 0.564 256 L N 1.027 122.319 121.223 0.114 0.000 2.664 256 L HA 0.126 4.466 4.340 -0.000 0.000 0.233 256 L C 0.956 177.861 176.870 0.060 0.000 1.113 256 L CA 0.087 54.951 54.840 0.040 0.000 0.896 256 L CB 0.153 42.224 42.059 0.019 0.000 1.163 256 L HN 0.580 nan 8.230 nan 0.000 0.497 257 S N 0.356 116.127 115.700 0.118 0.000 2.533 257 S HA 0.043 4.513 4.470 -0.000 0.000 0.282 257 S C 1.186 175.820 174.600 0.057 0.000 1.304 257 S CA -0.050 58.204 58.200 0.090 0.000 1.063 257 S CB 0.672 63.944 63.200 0.120 0.000 0.881 257 S HN 0.376 nan 8.310 nan 0.000 0.493 258 T N 2.436 117.014 114.554 0.040 0.000 3.176 258 T HA 0.547 4.896 4.350 -0.000 0.000 0.263 258 T C 0.644 175.360 174.700 0.027 0.000 1.021 258 T CA 0.008 62.128 62.100 0.033 0.000 0.905 258 T CB -0.095 68.786 68.868 0.022 0.000 1.057 258 T HN 0.753 nan 8.240 nan 0.000 0.558 259 A N 1.889 124.724 122.820 0.026 0.000 2.455 259 A HA 0.459 4.778 4.320 -0.000 0.000 0.244 259 A C 1.923 179.509 177.584 0.003 0.000 1.099 259 A CA 0.200 52.246 52.037 0.014 0.000 0.786 259 A CB -0.047 18.964 19.000 0.019 0.000 1.051 259 A HN 0.669 nan 8.150 nan 0.000 0.508 260 S N -0.985 114.710 115.700 -0.008 0.000 2.474 260 S HA -0.017 4.452 4.470 -0.000 0.000 0.235 260 S C 0.466 175.045 174.600 -0.035 0.000 0.997 260 S CA 1.325 59.513 58.200 -0.021 0.000 0.949 260 S CB -0.211 62.974 63.200 -0.025 0.000 0.766 260 S HN 0.801 nan 8.310 nan 0.000 0.517 261 E N 0.124 120.299 120.200 -0.040 0.000 2.321 261 E HA 0.458 4.808 4.350 -0.000 0.000 0.281 261 E C -1.643 174.904 176.600 -0.088 0.000 0.910 261 E CA -0.869 55.490 56.400 -0.067 0.000 0.770 261 E CB 2.329 31.972 29.700 -0.094 0.000 1.225 261 E HN 0.224 nan 8.360 nan 0.000 0.417 262 V N 1.262 121.096 119.914 -0.133 0.000 2.604 262 V HA 0.755 4.875 4.120 -0.000 0.000 0.305 262 V C -0.706 175.270 176.094 -0.195 0.000 1.043 262 V CA -0.806 61.298 62.300 -0.328 0.000 0.888 262 V CB 1.559 32.866 31.823 -0.860 0.000 0.995 262 V HN 0.691 nan 8.190 nan 0.000 0.429 263 K N 3.177 123.537 120.400 -0.067 0.000 2.426 263 K HA 0.900 5.220 4.320 -0.000 0.000 0.251 263 K C -1.104 175.793 176.600 0.494 0.000 0.941 263 K CA -0.432 55.897 56.287 0.069 0.000 0.808 263 K CB 2.408 34.747 32.500 -0.269 0.000 1.265 263 K HN 1.269 nan 8.250 nan 0.000 0.432 264 A N 2.309 125.388 122.820 0.432 0.000 2.411 264 A HA 0.550 4.870 4.320 -0.000 0.000 0.285 264 A C -1.066 176.752 177.584 0.389 0.000 1.129 264 A CA -0.542 51.877 52.037 0.638 0.000 0.736 264 A CB 0.893 20.293 19.000 0.666 0.000 1.186 264 A HN 0.788 nan 8.150 nan 0.000 0.445 265 S N 1.155 117.214 115.700 0.598 0.000 2.697 265 S HA 1.002 5.472 4.470 -0.000 0.000 0.289 265 S C 0.058 174.957 174.600 0.499 0.000 1.149 265 S CA -0.342 58.130 58.200 0.452 0.000 0.850 265 S CB 1.386 64.868 63.200 0.470 0.000 1.151 265 S HN 2.633 nan 8.310 nan 0.000 0.491 266 G N 0.131 109.118 108.800 0.313 0.000 2.539 266 G HA2 0.130 4.090 3.960 -0.000 0.000 0.686 266 G HA3 0.130 4.090 3.960 -0.000 0.000 0.686 266 G C -0.834 174.048 174.900 -0.030 0.000 1.258 266 G CA -0.603 44.594 45.100 0.162 0.000 0.846 266 G HN 0.977 nan 8.290 nan 0.000 0.647 267 H N 0.208 119.322 119.070 0.074 0.000 2.519 267 H HA 0.430 4.986 4.556 -0.000 0.000 0.289 267 H C 1.734 177.121 175.328 0.099 0.000 1.040 267 H CA 0.773 56.892 56.048 0.119 0.000 1.165 267 H CB 0.353 30.238 29.762 0.206 0.000 1.462 267 H HN 0.806 nan 8.280 nan 0.000 0.555 268 G N -0.026 108.824 108.800 0.084 0.000 2.588 268 G HA2 0.342 4.302 3.960 -0.000 0.000 0.278 268 G HA3 0.342 4.302 3.960 -0.000 0.000 0.278 268 G C -0.526 174.395 174.900 0.035 0.000 1.307 268 G CA -0.378 44.775 45.100 0.088 0.000 1.016 268 G HN 0.143 nan 8.290 nan 0.000 0.503 269 V N 0.033 119.919 119.914 -0.047 0.000 2.513 269 V HA 0.454 4.574 4.120 -0.000 0.000 0.299 269 V C -0.571 175.234 176.094 -0.482 0.000 1.035 269 V CA -0.639 61.492 62.300 -0.280 0.000 0.889 269 V CB 1.553 33.133 31.823 -0.404 0.000 0.988 269 V HN 0.564 nan 8.190 nan 0.000 0.440 270 L N 4.367 125.279 121.223 -0.520 0.000 2.316 270 L HA 0.690 5.030 4.340 -0.000 0.000 0.280 270 L C -0.162 176.480 176.870 -0.380 0.000 1.006 270 L CA 0.438 54.969 54.840 -0.516 0.000 0.836 270 L CB 1.575 43.214 42.059 -0.700 0.000 1.221 270 L HN 0.671 nan 8.230 nan 0.000 0.418 271 S N 2.660 118.163 115.700 -0.329 0.000 2.482 271 S HA 0.735 5.205 4.470 -0.000 0.000 0.303 271 S C 0.618 175.210 174.600 -0.013 0.000 1.091 271 S CA -0.093 58.014 58.200 -0.156 0.000 1.057 271 S CB 1.388 64.511 63.200 -0.128 0.000 1.031 271 S HN 0.850 nan 8.310 nan 0.000 0.485 272 G N 2.703 111.552 108.800 0.083 0.000 3.707 272 G HA2 0.156 4.116 3.960 -0.000 0.000 0.286 272 G HA3 0.156 4.116 3.960 -0.000 0.000 0.286 272 G C 0.834 175.856 174.900 0.205 0.000 1.112 272 G CA -0.144 45.111 45.100 0.259 0.000 0.861 272 G HN 0.888 nan 8.290 nan 0.000 0.534 273 E N -0.140 120.129 120.200 0.115 0.000 2.333 273 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 273 E C 1.588 178.221 176.600 0.056 0.000 1.007 273 E CA 0.724 57.201 56.400 0.128 0.000 0.845 273 E CB -0.093 29.695 29.700 0.146 0.000 0.766 273 E HN 0.541 nan 8.360 nan 0.000 0.507 274 Q N -0.254 119.467 119.800 -0.132 0.000 2.408 274 Q HA 0.059 4.399 4.340 -0.000 0.000 0.205 274 Q C -0.392 175.484 176.000 -0.207 0.000 0.919 274 Q CA 0.142 55.814 55.803 -0.218 0.000 0.932 274 Q CB 0.234 28.760 28.738 -0.354 0.000 1.058 274 Q HN 0.321 nan 8.270 nan 0.000 0.517 275 Y N 0.775 121.163 120.300 0.148 0.000 2.308 275 Y HA 0.207 4.756 4.550 -0.000 0.000 0.329 275 Y C 0.535 176.561 175.900 0.210 0.000 1.111 275 Y CA -1.619 56.577 58.100 0.160 0.000 1.179 275 Y CB 0.580 39.126 38.460 0.142 0.000 1.201 275 Y HN -0.200 nan 8.280 nan 0.000 0.483 276 V N -0.297 119.813 119.914 0.328 0.000 2.881 276 V HA 0.150 4.270 4.120 -0.000 0.000 0.303 276 V C -0.083 176.114 176.094 0.172 0.000 1.070 276 V CA -1.546 60.909 62.300 0.258 0.000 1.074 276 V CB 0.440 32.382 31.823 0.199 0.000 1.012 276 V HN 0.868 nan 8.190 nan 0.000 0.482 277 W N 4.146 125.299 121.300 -0.244 0.000 2.391 277 W HA 0.148 4.808 4.660 -0.000 0.000 0.339 277 W C 0.415 176.809 176.519 -0.209 0.000 1.252 277 W CA 0.630 57.681 57.345 -0.490 0.000 1.304 277 W CB -0.479 28.384 29.460 -0.994 0.000 1.179 277 W HN 0.817 nan 8.180 nan 0.000 0.567 278 Y N 1.800 121.500 120.300 -0.999 0.000 4.409 278 Y HA -0.298 4.252 4.550 -0.000 0.000 0.228 278 Y C 1.108 176.611 175.900 -0.661 0.000 1.108 278 Y CA 0.422 57.844 58.100 -1.130 0.000 1.955 278 Y CB -1.858 35.686 38.460 -1.528 0.000 1.615 278 Y HN 0.687 nan 8.280 nan 0.000 0.665 279 A N 1.218 123.918 122.820 -0.200 0.000 2.584 279 A HA 0.189 4.509 4.320 -0.000 0.000 0.239 279 A C 0.494 177.934 177.584 -0.240 0.000 1.043 279 A CA 0.885 52.862 52.037 -0.100 0.000 0.756 279 A CB 0.003 19.056 19.000 0.087 0.000 0.963 279 A HN 0.375 nan 8.150 nan 0.000 0.511 280 D N 3.616 123.859 120.400 -0.262 0.000 2.427 280 D HA 0.380 5.020 4.640 -0.000 0.000 0.226 280 D C -1.932 174.057 176.300 -0.518 0.000 1.076 280 D CA -1.980 51.807 54.000 -0.353 0.000 0.849 280 D CB 1.493 42.113 40.800 -0.300 0.000 1.052 280 D HN 0.130 nan 8.370 nan 0.000 0.515 281 P HA -0.092 nan 4.420 nan 0.000 0.218 281 P C 0.408 177.365 177.300 -0.572 0.000 1.146 281 P CA 0.967 63.464 63.100 -1.006 0.000 0.813 281 P CB 0.407 31.715 31.700 -0.654 0.000 0.778 282 D N -1.140 119.051 120.400 -0.349 0.000 2.350 282 D HA -0.010 4.630 4.640 -0.000 0.000 0.213 282 D C 0.826 177.029 176.300 -0.162 0.000 1.031 282 D CA 0.575 54.454 54.000 -0.202 0.000 0.861 282 D CB 0.031 40.738 40.800 -0.155 0.000 0.926 282 D HN 0.354 nan 8.370 nan 0.000 0.520 283 E N 0.105 120.187 120.200 -0.196 0.000 2.585 283 E HA 0.297 4.647 4.350 -0.000 0.000 0.206 283 E C 0.582 177.142 176.600 -0.066 0.000 1.007 283 E CA -0.357 55.968 56.400 -0.125 0.000 1.028 283 E CB 0.728 30.342 29.700 -0.143 0.000 1.087 283 E HN 0.113 nan 8.360 nan 0.000 0.455 284 G N 1.147 109.920 108.800 -0.045 0.000 2.221 284 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.265 284 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.265 284 G C 0.142 175.231 174.900 0.315 0.000 1.041 284 G CA 0.458 45.651 45.100 0.154 0.000 0.807 284 G HN 0.496 nan 8.290 nan 0.000 0.502 285 Y N -3.443 116.878 120.300 0.034 0.000 4.272 285 Y HA -0.216 4.334 4.550 -0.000 0.000 0.232 285 Y C 1.333 177.252 175.900 0.033 0.000 1.149 285 Y CA 1.204 59.330 58.100 0.043 0.000 1.961 285 Y CB -1.803 36.754 38.460 0.161 0.000 1.611 285 Y HN 0.619 nan 8.280 nan 0.000 0.682 286 Q N 0.777 120.613 119.800 0.060 0.000 2.249 286 Q HA 0.324 4.664 4.340 -0.000 0.000 0.226 286 Q C 0.357 176.316 176.000 -0.069 0.000 0.983 286 Q CA -0.756 55.061 55.803 0.023 0.000 0.930 286 Q CB 0.494 29.227 28.738 -0.007 0.000 1.193 286 Q HN 0.225 nan 8.270 nan 0.000 0.508 287 K N 0.815 121.165 120.400 -0.082 0.000 2.436 287 K HA 0.210 4.530 4.320 -0.000 0.000 0.282 287 K C -0.749 175.656 176.600 -0.326 0.000 1.044 287 K CA -0.103 56.060 56.287 -0.206 0.000 1.028 287 K CB 0.169 32.579 32.500 -0.150 0.000 0.919 287 K HN 0.683 nan 8.250 nan 0.000 0.474 288 A N 3.849 126.361 122.820 -0.514 0.000 2.565 288 A HA 0.036 4.356 4.320 -0.000 0.000 0.237 288 A C 0.102 177.341 177.584 -0.574 0.000 1.053 288 A CA 0.311 51.996 52.037 -0.586 0.000 0.755 288 A CB -0.045 18.463 19.000 -0.821 0.000 0.980 288 A HN 0.842 nan 8.150 nan 0.000 0.506 289 S N 1.954 117.433 115.700 -0.368 0.000 2.562 289 S HA 0.554 5.024 4.470 -0.000 0.000 0.275 289 S C 0.977 175.413 174.600 -0.273 0.000 1.281 289 S CA 0.085 58.121 58.200 -0.274 0.000 1.045 289 S CB 1.139 64.238 63.200 -0.168 0.000 0.962 289 S HN 2.507 nan 8.310 nan 0.000 0.503 290 G N 1.363 110.034 108.800 -0.215 0.000 2.225 290 G HA2 0.099 4.059 3.960 -0.000 0.000 0.267 290 G HA3 0.099 4.059 3.960 -0.000 0.000 0.267 290 G C 0.658 175.447 174.900 -0.186 0.000 1.024 290 G CA 0.243 45.250 45.100 -0.156 0.000 0.784 290 G HN 2.372 nan 8.290 nan 0.000 0.507 291 A N -0.931 121.685 122.820 -0.339 0.000 2.511 291 A HA -0.191 4.129 4.320 -0.000 0.000 0.297 291 A C 1.573 179.075 177.584 -0.137 0.000 1.476 291 A CA 1.769 53.622 52.037 -0.307 0.000 0.757 291 A CB -1.802 17.200 19.000 0.002 0.000 1.072 291 A HN 2.335 nan 8.150 nan 0.000 0.413 292 N N 0.873 119.423 118.700 -0.250 0.000 2.571 292 N HA -0.098 4.641 4.740 -0.000 0.000 0.189 292 N C 0.525 176.015 175.510 -0.034 0.000 1.154 292 N CA 0.837 53.812 53.050 -0.124 0.000 0.907 292 N CB -0.588 37.798 38.487 -0.168 0.000 0.977 292 N HN 0.986 nan 8.380 nan 0.000 0.449 293 N N -1.048 117.707 118.700 0.091 0.000 2.747 293 N HA -0.253 4.486 4.740 -0.000 0.000 0.249 293 N C -0.799 174.702 175.510 -0.013 0.000 1.107 293 N CA 0.525 53.650 53.050 0.124 0.000 0.707 293 N CB -1.395 37.142 38.487 0.084 0.000 1.054 293 N HN 0.400 nan 8.380 nan 0.000 0.555 294 N N -0.141 118.486 118.700 -0.123 0.000 2.234 294 N HA 0.228 4.968 4.740 -0.000 0.000 0.227 294 N C 0.429 175.735 175.510 -0.340 0.000 1.151 294 N CA 0.500 53.431 53.050 -0.197 0.000 0.865 294 N CB 0.607 38.978 38.487 -0.193 0.000 1.066 294 N HN 0.432 nan 8.380 nan 0.000 0.515 295 G N 0.461 108.826 108.800 -0.724 0.000 2.484 295 G HA2 0.122 4.081 3.960 -0.000 0.000 0.235 295 G HA3 0.122 4.081 3.960 -0.000 0.000 0.235 295 G C -0.087 174.598 174.900 -0.357 0.000 1.282 295 G CA -0.320 44.260 45.100 -0.867 0.000 0.857 295 G HN 0.280 nan 8.290 nan 0.000 0.571 296 L N 1.319 122.345 121.223 -0.329 0.000 2.513 296 L HA 0.326 4.665 4.340 -0.000 0.000 0.272 296 L C 0.791 177.542 176.870 -0.198 0.000 1.187 296 L CA -0.112 54.523 54.840 -0.341 0.000 0.895 296 L CB 0.321 42.072 42.059 -0.512 0.000 1.147 296 L HN 0.461 nan 8.230 nan 0.000 0.483 297 R N 3.976 124.370 120.500 -0.176 0.000 2.500 297 R HA 0.326 4.666 4.340 -0.000 0.000 0.275 297 R C 1.005 177.198 176.300 -0.179 0.000 1.051 297 R CA -0.390 55.660 56.100 -0.084 0.000 1.088 297 R CB 0.752 31.046 30.300 -0.010 0.000 1.063 297 R HN 0.624 nan 8.270 nan 0.000 0.511 298 M N 0.067 119.566 119.600 -0.168 0.000 2.334 298 M HA 0.063 4.543 4.480 -0.000 0.000 0.266 298 M C -0.373 175.544 176.300 -0.639 0.000 1.082 298 M CA 0.963 56.010 55.300 -0.421 0.000 1.141 298 M CB -0.035 32.307 32.600 -0.431 0.000 1.380 298 M HN 0.425 nan 8.290 nan 0.000 0.440 299 W N 0.532 121.882 121.300 0.083 0.000 2.683 299 W HA 0.537 5.197 4.660 -0.000 0.000 0.329 299 W C -0.130 176.397 176.519 0.013 0.000 1.037 299 W CA -0.803 56.613 57.345 0.118 0.000 1.232 299 W CB 1.276 30.938 29.460 0.336 0.000 1.390 299 W HN -0.089 nan 8.180 nan 0.000 0.465 300 R N 2.017 122.479 120.500 -0.063 0.000 2.604 300 R HA 0.829 5.169 4.340 -0.000 0.000 0.270 300 R C -0.841 174.890 176.300 -0.948 0.000 1.052 300 R CA -0.477 55.366 56.100 -0.429 0.000 0.902 300 R CB 1.632 31.795 30.300 -0.228 0.000 1.233 300 R HN 0.637 nan 8.270 nan 0.000 0.455 301 G N -0.112 107.736 108.800 -1.587 0.000 2.708 301 G HA2 0.541 4.501 3.960 -0.000 0.000 0.289 301 G HA3 0.541 4.501 3.960 -0.000 0.000 0.289 301 G C -1.577 172.771 174.900 -0.919 0.000 1.416 301 G CA -0.440 43.797 45.100 -1.439 0.000 0.829 301 G HN 0.490 nan 8.290 nan 0.000 0.480 302 T N 0.035 114.322 114.554 -0.446 0.000 2.879 302 T HA 0.529 4.879 4.350 -0.000 0.000 0.290 302 T C -0.995 173.676 174.700 -0.047 0.000 0.993 302 T CA -0.381 61.605 62.100 -0.191 0.000 0.975 302 T CB 1.031 69.829 68.868 -0.116 0.000 0.981 302 T HN 0.337 nan 8.240 nan 0.000 0.439 303 L N 4.421 125.657 121.223 0.020 0.000 2.395 303 L HA 0.697 5.037 4.340 -0.000 0.000 0.269 303 L C 1.160 178.039 176.870 0.016 0.000 1.133 303 L CA 0.716 55.585 54.840 0.048 0.000 0.812 303 L CB 1.190 43.278 42.059 0.048 0.000 1.125 303 L HN 0.865 nan 8.230 nan 0.000 0.452 304 G N 1.062 109.871 108.800 0.016 0.000 3.434 304 G HA2 0.092 4.052 3.960 -0.000 0.000 0.192 304 G HA3 0.092 4.052 3.960 -0.000 0.000 0.192 304 G C 0.448 175.350 174.900 0.003 0.000 1.704 304 G CA 0.428 45.532 45.100 0.007 0.000 0.936 304 G HN 0.684 nan 8.290 nan 0.000 0.623 305 N N -0.859 117.842 118.700 0.002 0.000 2.171 305 N HA 0.203 4.943 4.740 -0.000 0.000 0.212 305 N C 0.081 175.588 175.510 -0.005 0.000 1.184 305 N CA -0.136 52.913 53.050 -0.001 0.000 0.888 305 N CB 0.851 39.338 38.487 -0.000 0.000 1.038 305 N HN 0.166 nan 8.380 nan 0.000 0.517 306 S N -0.391 115.306 115.700 -0.004 0.000 2.689 306 S HA 0.521 4.991 4.470 -0.000 0.000 0.306 306 S C -0.318 174.273 174.600 -0.015 0.000 1.104 306 S CA -0.590 57.605 58.200 -0.009 0.000 0.973 306 S CB 1.651 64.847 63.200 -0.006 0.000 1.121 306 S HN 0.158 nan 8.310 nan 0.000 0.523 307 S N 1.392 117.079 115.700 -0.023 0.000 2.585 307 S HA 0.331 4.801 4.470 -0.000 0.000 0.273 307 S C -0.227 174.354 174.600 -0.032 0.000 1.339 307 S CA -0.376 57.803 58.200 -0.036 0.000 1.028 307 S CB 0.537 63.713 63.200 -0.040 0.000 0.906 307 S HN 0.615 nan 8.310 nan 0.000 0.528 308 Q N 0.773 120.546 119.800 -0.045 0.000 2.345 308 Q HA 0.439 4.779 4.340 -0.000 0.000 0.275 308 Q C -1.743 174.216 176.000 -0.068 0.000 1.063 308 Q CA -0.571 55.212 55.803 -0.033 0.000 0.819 308 Q CB 1.719 30.472 28.738 0.024 0.000 1.356 308 Q HN 0.582 nan 8.270 nan 0.000 0.418 309 T N 3.247 117.763 114.554 -0.062 0.000 2.792 309 T HA 0.395 4.745 4.350 -0.000 0.000 0.280 309 T C -1.313 173.361 174.700 -0.044 0.000 0.990 309 T CA -0.316 61.733 62.100 -0.084 0.000 0.960 309 T CB 0.368 69.179 68.868 -0.096 0.000 0.939 309 T HN 0.408 nan 8.240 nan 0.000 0.439 310 F N 5.151 124.925 119.950 -0.294 0.000 2.371 310 F HA 0.566 5.092 4.527 -0.000 0.000 0.363 310 F C -0.706 174.919 175.800 -0.291 0.000 1.122 310 F CA -1.560 56.248 58.000 -0.320 0.000 1.129 310 F CB 0.321 38.983 39.000 -0.563 0.000 1.173 310 F HN 0.223 nan 8.300 nan 0.000 0.489 311 V N 8.067 127.739 119.914 -0.404 0.000 2.370 311 V HA 0.366 4.486 4.120 -0.000 0.000 0.279 311 V C -0.725 174.880 176.094 -0.814 0.000 1.029 311 V CA -0.700 61.272 62.300 -0.546 0.000 0.870 311 V CB 1.208 32.837 31.823 -0.324 0.000 0.984 311 V HN 0.617 nan 8.190 nan 0.000 0.451 312 L N 5.685 126.337 121.223 -0.952 0.000 2.372 312 L HA 0.616 4.956 4.340 -0.000 0.000 0.274 312 L C -0.644 175.928 176.870 -0.497 0.000 0.988 312 L CA 0.079 54.366 54.840 -0.922 0.000 0.833 312 L CB 1.451 42.660 42.059 -1.417 0.000 1.236 312 L HN 0.770 nan 8.230 nan 0.000 0.410 313 N N 3.043 121.585 118.700 -0.263 0.000 2.425 313 N HA 0.566 5.306 4.740 -0.000 0.000 0.289 313 N C 0.595 176.036 175.510 -0.114 0.000 1.074 313 N CA 0.255 53.219 53.050 -0.144 0.000 0.905 313 N CB 1.616 40.050 38.487 -0.088 0.000 1.586 313 N HN 0.822 nan 8.380 nan 0.000 0.490 314 G N 1.052 109.737 108.800 -0.191 0.000 2.458 314 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.237 314 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.237 314 G C 0.160 174.849 174.900 -0.353 0.000 1.113 314 G CA 0.398 45.172 45.100 -0.542 0.000 0.655 314 G HN 0.599 nan 8.290 nan 0.000 0.513 315 V N 1.908 121.763 119.914 -0.099 0.000 2.928 315 V HA 0.382 4.502 4.120 -0.000 0.000 0.307 315 V C 0.944 176.984 176.094 -0.089 0.000 1.105 315 V CA 1.268 63.557 62.300 -0.017 0.000 1.223 315 V CB 1.207 33.100 31.823 0.115 0.000 0.930 315 V HN 0.417 nan 8.190 nan 0.000 0.499 316 T N 4.196 118.664 114.554 -0.143 0.000 2.770 316 T HA 0.466 4.816 4.350 -0.000 0.000 0.283 316 T C -0.382 174.161 174.700 -0.261 0.000 0.988 316 T CA -0.261 61.677 62.100 -0.271 0.000 0.957 316 T CB 1.366 70.164 68.868 -0.117 0.000 0.930 316 T HN 0.400 nan 8.240 nan 0.000 0.443 317 V N 3.473 123.210 119.914 -0.294 0.000 2.394 317 V HA 0.666 4.785 4.120 -0.000 0.000 0.282 317 V C 0.147 176.098 176.094 -0.239 0.000 1.031 317 V CA -0.331 61.863 62.300 -0.177 0.000 0.881 317 V CB 1.777 33.639 31.823 0.065 0.000 0.982 317 V HN 0.885 nan 8.190 nan 0.000 0.451 318 S N 3.986 119.565 115.700 -0.202 0.000 2.568 318 S HA 0.725 5.195 4.470 -0.000 0.000 0.293 318 S C 0.201 174.789 174.600 -0.020 0.000 1.089 318 S CA 0.155 58.259 58.200 -0.161 0.000 0.945 318 S CB 1.591 64.725 63.200 -0.110 0.000 1.077 318 S HN 2.250 nan 8.310 nan 0.000 0.485 319 A N 2.776 125.612 122.820 0.025 0.000 2.466 319 A HA -0.063 4.256 4.320 -0.000 0.000 0.295 319 A C -2.458 175.217 177.584 0.153 0.000 1.465 319 A CA 0.501 52.596 52.037 0.097 0.000 0.744 319 A CB -1.938 17.151 19.000 0.149 0.000 1.098 319 A HN 0.568 nan 8.150 nan 0.000 0.402 320 P HA 0.246 nan 4.420 nan 0.000 0.276 320 P C -2.065 175.440 177.300 0.342 0.000 1.230 320 P CA -1.450 61.754 63.100 0.172 0.000 0.776 320 P CB 0.803 32.566 31.700 0.104 0.000 0.888 321 P HA 0.133 nan 4.420 nan 0.000 0.249 321 P C -0.015 177.478 177.300 0.322 0.000 1.229 321 P CA 0.521 63.887 63.100 0.444 0.000 0.788 321 P CB 0.296 32.176 31.700 0.299 0.000 1.072 322 F N -0.893 119.058 119.950 0.001 0.000 3.732 322 F HA 0.266 4.793 4.527 -0.000 0.000 0.330 322 F C -0.770 174.982 175.800 -0.079 0.000 1.111 322 F CA -1.067 56.828 58.000 -0.176 0.000 0.854 322 F CB 0.346 39.083 39.000 -0.438 0.000 1.653 322 F HN -0.428 nan 8.300 nan 0.000 0.508 323 N N 1.047 119.292 118.700 -0.757 0.000 2.294 323 N HA 0.009 4.749 4.740 -0.000 0.000 0.248 323 N C 0.560 176.011 175.510 -0.098 0.000 1.242 323 N CA 0.624 53.409 53.050 -0.442 0.000 0.848 323 N CB 0.935 39.147 38.487 -0.459 0.000 1.084 323 N HN 0.566 nan 8.380 nan 0.000 0.457 324 S N 2.529 118.225 115.700 -0.008 0.000 2.406 324 S HA -0.051 4.419 4.470 -0.000 0.000 0.228 324 S C 0.702 175.435 174.600 0.221 0.000 1.020 324 S CA 0.689 58.963 58.200 0.123 0.000 0.965 324 S CB 0.252 63.589 63.200 0.228 0.000 0.798 324 S HN 0.644 nan 8.310 nan 0.000 0.488 325 M N 1.208 120.936 119.600 0.214 0.000 2.365 325 M HA 0.455 4.935 4.480 -0.000 0.000 0.288 325 M C -2.681 173.794 176.300 0.292 0.000 1.152 325 M CA -0.133 55.366 55.300 0.332 0.000 0.948 325 M CB 2.154 35.047 32.600 0.488 0.000 1.729 325 M HN 0.071 nan 8.290 nan 0.000 0.487 326 D N 2.976 123.603 120.400 0.377 0.000 2.886 326 D HA 0.355 4.995 4.640 -0.000 0.000 0.216 326 D C -1.682 174.927 176.300 0.514 0.000 1.256 326 D CA -0.081 54.169 54.000 0.415 0.000 0.844 326 D CB 2.120 43.062 40.800 0.236 0.000 1.669 326 D HN 0.612 nan 8.370 nan 0.000 0.513 327 W N 0.740 122.165 121.300 0.207 0.000 2.509 327 W HA 0.378 5.038 4.660 -0.000 0.000 0.351 327 W C 0.205 176.727 176.519 0.004 0.000 1.107 327 W CA -0.517 56.858 57.345 0.050 0.000 1.264 327 W CB 2.068 31.477 29.460 -0.086 0.000 1.312 327 W HN 0.160 nan 8.180 nan 0.000 0.608 328 S N 0.238 115.959 115.700 0.034 0.000 2.690 328 S HA 0.855 5.324 4.470 -0.000 0.000 0.291 328 S C -0.012 174.602 174.600 0.023 0.000 1.138 328 S CA -0.016 58.191 58.200 0.011 0.000 1.013 328 S CB 1.618 64.785 63.200 -0.055 0.000 1.053 328 S HN 0.810 nan 8.310 nan 0.000 0.539 329 G N 1.341 110.149 108.800 0.015 0.000 2.406 329 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.680 329 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.680 329 G C -0.246 174.663 174.900 0.015 0.000 1.338 329 G CA -0.713 44.393 45.100 0.010 0.000 0.941 329 G HN 0.570 nan 8.290 nan 0.000 0.633 330 N N -0.346 118.361 118.700 0.012 0.000 2.220 330 N HA 0.101 4.841 4.740 -0.000 0.000 0.182 330 N C 1.593 177.116 175.510 0.022 0.000 1.023 330 N CA 1.365 54.428 53.050 0.022 0.000 0.856 330 N CB 0.097 38.596 38.487 0.019 0.000 0.997 330 N HN 0.873 nan 8.380 nan 0.000 0.429 331 S N 0.760 116.463 115.700 0.005 0.000 2.592 331 S HA 0.278 4.748 4.470 -0.000 0.000 0.305 331 S C 0.502 175.069 174.600 -0.055 0.000 1.118 331 S CA -0.478 57.719 58.200 -0.004 0.000 1.075 331 S CB 0.534 63.732 63.200 -0.004 0.000 1.107 331 S HN 0.001 nan 8.310 nan 0.000 0.503 332 L N 2.592 123.773 121.223 -0.071 0.000 2.551 332 L HA 0.031 4.371 4.340 -0.000 0.000 0.228 332 L C 1.839 178.511 176.870 -0.329 0.000 1.153 332 L CA 1.096 55.777 54.840 -0.264 0.000 0.851 332 L CB -0.847 41.072 42.059 -0.233 0.000 0.959 332 L HN 0.706 nan 8.230 nan 0.000 0.451 333 D N -1.805 118.515 120.400 -0.135 0.000 2.371 333 D HA -0.160 4.480 4.640 -0.000 0.000 0.221 333 D C 1.671 177.903 176.300 -0.114 0.000 0.986 333 D CA 0.444 54.385 54.000 -0.098 0.000 0.899 333 D CB -0.117 40.686 40.800 0.006 0.000 0.902 333 D HN 0.163 nan 8.370 nan 0.000 0.530 334 L N 0.260 121.402 121.223 -0.134 0.000 2.591 334 L HA 0.280 4.620 4.340 -0.000 0.000 0.228 334 L C 0.698 177.479 176.870 -0.149 0.000 1.133 334 L CA 0.297 55.074 54.840 -0.106 0.000 0.880 334 L CB -0.568 41.448 42.059 -0.072 0.000 1.033 334 L HN 0.085 nan 8.230 nan 0.000 0.450 335 I N -1.569 118.845 120.570 -0.260 0.000 2.607 335 I HA 0.455 4.625 4.170 -0.000 0.000 0.305 335 I C 0.310 176.299 176.117 -0.213 0.000 0.995 335 I CA -0.326 60.781 61.300 -0.322 0.000 1.148 335 I CB 1.965 39.557 38.000 -0.681 0.000 1.323 335 I HN -0.213 nan 8.210 nan 0.000 0.461 336 T N 3.077 117.536 114.554 -0.158 0.000 2.889 336 T HA 0.557 4.907 4.350 -0.000 0.000 0.315 336 T C -1.549 173.083 174.700 -0.114 0.000 1.291 336 T CA -0.319 61.727 62.100 -0.089 0.000 1.028 336 T CB 1.163 69.982 68.868 -0.081 0.000 1.235 336 T HN 0.735 nan 8.240 nan 0.000 0.491 337 C N 3.308 122.538 119.300 -0.118 0.000 2.561 337 C HA 0.853 5.312 4.460 -0.000 0.000 0.319 337 C C -0.576 174.285 174.990 -0.215 0.000 1.198 337 C CA -1.037 57.866 59.018 -0.193 0.000 1.665 337 C CB 1.300 28.912 27.740 -0.214 0.000 2.258 337 C HN 0.770 nan 8.230 nan 0.000 0.493 338 R N 1.708 122.026 120.500 -0.303 0.000 2.467 338 R HA 0.557 4.897 4.340 -0.000 0.000 0.299 338 R C -1.275 174.803 176.300 -0.371 0.000 1.120 338 R CA -0.215 55.723 56.100 -0.269 0.000 0.940 338 R CB 1.437 31.600 30.300 -0.229 0.000 1.161 338 R HN 0.664 nan 8.270 nan 0.000 0.506 339 V N 2.777 122.494 119.914 -0.329 0.000 2.487 339 V HA 0.597 4.717 4.120 -0.000 0.000 0.298 339 V C -1.074 174.877 176.094 -0.238 0.000 1.028 339 V CA -0.371 61.702 62.300 -0.377 0.000 0.860 339 V CB 1.879 33.427 31.823 -0.458 0.000 0.991 339 V HN 0.604 nan 8.190 nan 0.000 0.427 340 D N 4.218 124.499 120.400 -0.199 0.000 2.645 340 D HA 0.280 4.920 4.640 -0.000 0.000 0.228 340 D C -0.569 175.684 176.300 -0.077 0.000 1.148 340 D CA -0.158 53.772 54.000 -0.117 0.000 0.860 340 D CB 1.970 42.718 40.800 -0.087 0.000 1.548 340 D HN 0.828 nan 8.370 nan 0.000 0.460 341 D N 0.966 121.334 120.400 -0.053 0.000 2.692 341 D HA -0.280 4.360 4.640 -0.000 0.000 0.233 341 D C -1.231 175.024 176.300 -0.075 0.000 1.172 341 D CA 0.978 54.957 54.000 -0.036 0.000 0.636 341 D CB -1.481 39.353 40.800 0.057 0.000 1.028 341 D HN 0.346 nan 8.370 nan 0.000 0.419 342 Y N 0.224 120.370 120.300 -0.257 0.000 2.446 342 Y HA 0.606 5.156 4.550 -0.000 0.000 0.338 342 Y C -0.508 175.184 175.900 -0.347 0.000 1.055 342 Y CA -0.711 57.216 58.100 -0.289 0.000 1.101 342 Y CB 1.182 39.468 38.460 -0.290 0.000 1.221 342 Y HN -0.115 nan 8.280 nan 0.000 0.460 343 K N 3.667 123.380 120.400 -1.145 0.000 2.464 343 K HA 0.378 4.698 4.320 -0.000 0.000 0.253 343 K C -1.719 174.343 176.600 -0.896 0.000 0.933 343 K CA -0.879 54.843 56.287 -0.941 0.000 0.801 343 K CB 2.058 33.881 32.500 -1.128 0.000 1.271 343 K HN 0.613 nan 8.250 nan 0.000 0.430 344 Q N 1.951 121.531 119.800 -0.366 0.000 2.327 344 Q HA 0.622 4.962 4.340 -0.000 0.000 0.270 344 Q C -1.142 174.878 176.000 0.034 0.000 1.022 344 Q CA -0.848 54.864 55.803 -0.151 0.000 0.773 344 Q CB 1.529 30.323 28.738 0.093 0.000 1.251 344 Q HN 0.587 nan 8.270 nan 0.000 0.457 345 V N 0.223 120.043 119.914 -0.157 0.000 3.074 345 V HA 0.902 5.022 4.120 -0.000 0.000 0.314 345 V C 0.567 176.530 176.094 -0.219 0.000 1.117 345 V CA -0.024 62.153 62.300 -0.205 0.000 1.014 345 V CB 1.411 32.863 31.823 -0.618 0.000 1.057 345 V HN 0.995 nan 8.190 nan 0.000 0.438 346 G N 0.955 109.574 108.800 -0.302 0.000 2.305 346 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.287 346 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.287 346 G C 0.503 175.257 174.900 -0.244 0.000 1.036 346 G CA 0.456 45.358 45.100 -0.331 0.000 0.887 346 G HN 2.271 nan 8.290 nan 0.000 0.505 347 A N -0.372 122.383 122.820 -0.110 0.000 3.135 347 A HA 0.696 5.016 4.320 -0.000 0.000 0.253 347 A C 1.083 178.495 177.584 -0.288 0.000 1.638 347 A CA -0.066 51.870 52.037 -0.167 0.000 1.295 347 A CB -0.463 18.432 19.000 -0.174 0.000 1.106 347 A HN 0.492 nan 8.150 nan 0.000 0.648 348 F N -0.535 119.377 119.950 -0.064 0.000 2.502 348 F HA -0.012 4.514 4.527 -0.000 0.000 0.298 348 F C 0.537 176.275 175.800 -0.103 0.000 1.111 348 F CA 0.502 58.440 58.000 -0.102 0.000 1.445 348 F CB -0.225 38.694 39.000 -0.136 0.000 1.081 348 F HN 0.419 nan 8.300 nan 0.000 0.558 349 Y N 0.400 120.795 120.300 0.158 0.000 2.298 349 Y HA 0.454 5.004 4.550 -0.000 0.000 0.329 349 Y C 1.066 176.965 175.900 -0.002 0.000 1.293 349 Y CA -1.484 56.632 58.100 0.027 0.000 1.388 349 Y CB -0.190 38.361 38.460 0.150 0.000 1.309 349 Y HN -0.157 nan 8.280 nan 0.000 0.544 350 G N -0.208 108.636 108.800 0.073 0.000 2.539 350 G HA2 0.326 4.286 3.960 -0.000 0.000 0.258 350 G HA3 0.326 4.286 3.960 -0.000 0.000 0.258 350 G C -0.606 174.485 174.900 0.318 0.000 1.202 350 G CA -0.554 44.617 45.100 0.118 0.000 0.851 350 G HN 0.817 nan 8.290 nan 0.000 0.556 351 Q N -1.512 118.384 119.800 0.159 0.000 2.487 351 Q HA -0.192 4.148 4.340 -0.000 0.000 0.279 351 Q C 0.465 176.372 176.000 -0.155 0.000 1.228 351 Q CA 0.889 56.680 55.803 -0.020 0.000 0.873 351 Q CB -2.402 26.310 28.738 -0.044 0.000 1.260 351 Q HN 0.778 nan 8.270 nan 0.000 0.471 352 T N -2.194 112.336 114.554 -0.040 0.000 3.389 352 T HA 0.304 4.654 4.350 -0.000 0.000 0.238 352 T C 0.043 174.675 174.700 -0.114 0.000 1.178 352 T CA -0.691 61.378 62.100 -0.051 0.000 1.117 352 T CB 0.161 69.036 68.868 0.011 0.000 1.177 352 T HN 0.041 nan 8.240 nan 0.000 0.653 353 D N 1.760 122.058 120.400 -0.171 0.000 2.383 353 D HA 0.345 4.984 4.640 -0.000 0.000 0.233 353 D C 1.185 177.389 176.300 -0.161 0.000 1.233 353 D CA 0.401 54.303 54.000 -0.164 0.000 0.881 353 D CB 0.258 40.962 40.800 -0.160 0.000 1.212 353 D HN 0.520 nan 8.370 nan 0.000 0.467 354 G N -0.524 108.112 108.800 -0.273 0.000 2.588 354 G HA2 0.455 4.415 3.960 -0.000 0.000 0.281 354 G HA3 0.455 4.415 3.960 -0.000 0.000 0.281 354 G C -0.011 174.816 174.900 -0.122 0.000 1.236 354 G CA -0.792 44.071 45.100 -0.395 0.000 0.969 354 G HN 0.392 nan 8.290 nan 0.000 0.504 355 L N 0.131 121.385 121.223 0.051 0.000 2.482 355 L HA 0.137 4.477 4.340 -0.000 0.000 0.273 355 L C 0.607 177.435 176.870 -0.069 0.000 1.228 355 L CA -0.235 54.647 54.840 0.070 0.000 0.827 355 L CB 0.231 42.336 42.059 0.076 0.000 1.099 355 L HN 0.362 nan 8.230 nan 0.000 0.494 356 E N 2.161 122.283 120.200 -0.131 0.000 2.343 356 E HA 0.328 4.678 4.350 -0.000 0.000 0.269 356 E C -0.643 175.682 176.600 -0.459 0.000 1.047 356 E CA -0.079 56.121 56.400 -0.334 0.000 0.874 356 E CB 1.533 30.886 29.700 -0.578 0.000 1.033 356 E HN 0.431 nan 8.360 nan 0.000 0.409 357 M N 3.328 122.721 119.600 -0.346 0.000 2.016 357 M HA 0.223 4.703 4.480 -0.000 0.000 0.315 357 M C -1.082 175.132 176.300 -0.143 0.000 0.930 357 M CA -0.595 54.577 55.300 -0.213 0.000 0.899 357 M CB 0.478 33.060 32.600 -0.031 0.000 1.401 357 M HN 0.334 nan 8.290 nan 0.000 0.386 358 Y N 1.693 121.907 120.300 -0.142 0.000 2.335 358 Y HA 0.224 4.774 4.550 -0.000 0.000 0.348 358 Y C -1.850 173.940 175.900 -0.184 0.000 1.280 358 Y CA -1.831 56.018 58.100 -0.419 0.000 1.504 358 Y CB -0.416 37.742 38.460 -0.503 0.000 1.366 358 Y HN 0.419 nan 8.280 nan 0.000 0.621 359 P HA -0.041 nan 4.420 nan 0.000 0.261 359 P C 0.580 177.894 177.300 0.024 0.000 1.158 359 P CA 2.313 65.454 63.100 0.069 0.000 0.758 359 P CB 0.135 31.862 31.700 0.044 0.000 0.763 360 G N 1.563 110.382 108.800 0.032 0.000 2.189 360 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.267 360 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.267 360 G C 0.448 175.342 174.900 -0.010 0.000 0.975 360 G CA 0.329 45.431 45.100 0.003 0.000 0.644 360 G HN 0.610 nan 8.290 nan 0.000 0.537 361 T N 0.563 115.116 114.554 -0.001 0.000 2.937 361 T HA 0.425 4.775 4.350 -0.000 0.000 0.316 361 T C 0.626 175.314 174.700 -0.020 0.000 1.079 361 T CA 0.636 62.718 62.100 -0.030 0.000 1.131 361 T CB 0.844 69.692 68.868 -0.033 0.000 1.000 361 T HN 0.345 nan 8.240 nan 0.000 0.549 362 I N 3.583 124.119 120.570 -0.057 0.000 2.468 362 I HA 0.433 4.603 4.170 -0.000 0.000 0.284 362 I C -0.680 175.387 176.117 -0.084 0.000 1.038 362 I CA -0.543 60.728 61.300 -0.049 0.000 1.083 362 I CB 1.459 39.425 38.000 -0.058 0.000 1.223 362 I HN 0.367 nan 8.210 nan 0.000 0.443 363 L N 7.970 129.154 121.223 -0.065 0.000 2.386 363 L HA 0.640 4.980 4.340 -0.000 0.000 0.271 363 L C -1.283 175.539 176.870 -0.081 0.000 0.993 363 L CA 0.026 54.805 54.840 -0.101 0.000 0.819 363 L CB 1.750 43.748 42.059 -0.102 0.000 1.294 363 L HN 0.703 nan 8.230 nan 0.000 0.414 364 Q N 3.027 122.768 119.800 -0.100 0.000 2.479 364 Q HA 0.307 4.647 4.340 -0.000 0.000 0.276 364 Q C -1.600 174.344 176.000 -0.093 0.000 0.989 364 Q CA -0.810 54.943 55.803 -0.083 0.000 0.864 364 Q CB 1.769 30.471 28.738 -0.060 0.000 1.444 364 Q HN 0.723 nan 8.270 nan 0.000 0.388 365 D N -0.164 120.185 120.400 -0.086 0.000 2.737 365 D HA -0.098 4.542 4.640 -0.000 0.000 0.243 365 D C -0.954 175.281 176.300 -0.109 0.000 1.109 365 D CA 0.628 54.582 54.000 -0.077 0.000 0.702 365 D CB -1.405 39.356 40.800 -0.065 0.000 1.068 365 D HN 0.353 nan 8.370 nan 0.000 0.432 366 V N 0.640 120.460 119.914 -0.158 0.000 2.715 366 V HA 0.645 4.765 4.120 -0.000 0.000 0.310 366 V C -0.072 175.869 176.094 -0.254 0.000 1.054 366 V CA -0.952 61.183 62.300 -0.276 0.000 0.928 366 V CB 2.247 33.785 31.823 -0.475 0.000 1.007 366 V HN 0.190 nan 8.190 nan 0.000 0.437 367 F N 4.387 124.072 119.950 -0.440 0.000 2.444 367 F HA 0.706 5.232 4.527 -0.000 0.000 0.342 367 F C -1.392 174.255 175.800 -0.256 0.000 1.121 367 F CA -0.572 57.275 58.000 -0.255 0.000 0.997 367 F CB 1.143 40.026 39.000 -0.195 0.000 1.130 367 F HN 0.394 nan 8.300 nan 0.000 0.454 368 Y N 5.128 124.959 120.300 -0.782 0.000 2.331 368 Y HA 0.293 4.843 4.550 -0.000 0.000 0.334 368 Y C -0.855 174.709 175.900 -0.560 0.000 0.960 368 Y CA -0.945 56.859 58.100 -0.493 0.000 1.130 368 Y CB 0.935 39.236 38.460 -0.266 0.000 1.164 368 Y HN 0.607 nan 8.280 nan 0.000 0.458 369 H N 1.674 120.623 119.070 -0.201 0.000 2.595 369 H HA 0.595 5.151 4.556 -0.000 0.000 0.313 369 H C -0.978 174.284 175.328 -0.111 0.000 1.023 369 H CA -0.204 55.760 56.048 -0.140 0.000 1.218 369 H CB 1.189 30.895 29.762 -0.092 0.000 1.403 369 H HN 0.598 nan 8.280 nan 0.000 0.477 370 T N 3.151 117.485 114.554 -0.366 0.000 2.933 370 T HA 0.151 4.501 4.350 -0.000 0.000 0.305 370 T C -0.365 174.162 174.700 -0.288 0.000 1.092 370 T CA -0.742 61.166 62.100 -0.320 0.000 1.008 370 T CB 1.292 70.020 68.868 -0.233 0.000 1.102 370 T HN 0.674 nan 8.240 nan 0.000 0.469 371 D N 2.553 122.821 120.400 -0.219 0.000 2.463 371 D HA 0.327 4.967 4.640 -0.000 0.000 0.224 371 D C 0.101 176.377 176.300 -0.039 0.000 1.174 371 D CA 0.065 53.992 54.000 -0.122 0.000 0.829 371 D CB 0.311 41.062 40.800 -0.081 0.000 0.993 371 D HN 0.561 nan 8.370 nan 0.000 0.497 372 D N -1.015 119.356 120.400 -0.048 0.000 3.145 372 D HA 0.012 4.652 4.640 -0.000 0.000 0.345 372 D C -1.058 175.237 176.300 -0.009 0.000 1.391 372 D CA -0.468 53.539 54.000 0.012 0.000 0.930 372 D CB 0.936 41.741 40.800 0.009 0.000 1.451 372 D HN -0.205 nan 8.370 nan 0.000 0.555 373 D N 0.305 120.729 120.400 0.041 0.000 2.793 373 D HA 0.066 4.706 4.640 -0.000 0.000 0.230 373 D C 0.774 177.005 176.300 -0.114 0.000 1.139 373 D CA 0.634 54.651 54.000 0.027 0.000 0.838 373 D CB 0.773 41.644 40.800 0.119 0.000 1.149 373 D HN 0.447 nan 8.370 nan 0.000 0.526 374 G N 2.655 111.369 108.800 -0.145 0.000 2.655 374 G HA2 0.050 4.009 3.960 -0.000 0.000 0.217 374 G HA3 0.050 4.009 3.960 -0.000 0.000 0.217 374 G C 0.542 175.209 174.900 -0.388 0.000 1.279 374 G CA -0.280 44.637 45.100 -0.305 0.000 0.870 374 G HN 0.466 nan 8.290 nan 0.000 0.560 375 L N 1.766 122.839 121.223 -0.249 0.000 2.272 375 L HA 0.350 4.690 4.340 -0.000 0.000 0.284 375 L C -0.589 176.194 176.870 -0.145 0.000 1.045 375 L CA -0.382 54.302 54.840 -0.260 0.000 0.842 375 L CB 1.346 43.201 42.059 -0.341 0.000 1.224 375 L HN 0.115 nan 8.230 nan 0.000 0.430 376 K N 4.534 124.786 120.400 -0.247 0.000 2.250 376 K HA 0.264 4.584 4.320 -0.000 0.000 0.285 376 K C -0.045 176.299 176.600 -0.426 0.000 1.097 376 K CA -0.018 55.971 56.287 -0.497 0.000 0.913 376 K CB 1.018 33.082 32.500 -0.727 0.000 1.179 376 K HN 0.546 nan 8.250 nan 0.000 0.462 377 M N 4.525 124.063 119.600 -0.103 0.000 3.213 377 M HA 0.094 4.574 4.480 -0.000 0.000 0.275 377 M C -0.858 175.534 176.300 0.152 0.000 1.424 377 M CA -0.080 55.318 55.300 0.164 0.000 1.561 377 M CB 0.133 32.919 32.600 0.310 0.000 1.109 377 M HN 0.604 nan 8.290 nan 0.000 0.552 378 Y N 1.687 122.002 120.300 0.024 0.000 2.442 378 Y HA 0.273 4.823 4.550 -0.000 0.000 0.250 378 Y C -0.671 174.855 175.900 -0.624 0.000 1.113 378 Y CA -0.500 57.412 58.100 -0.313 0.000 1.273 378 Y CB 0.010 38.160 38.460 -0.516 0.000 1.138 378 Y HN 0.389 nan 8.280 nan 0.000 0.522 379 Y N -1.137 119.299 120.300 0.227 0.000 2.536 379 Y HA 0.527 5.077 4.550 -0.000 0.000 0.347 379 Y C 0.544 176.492 175.900 0.080 0.000 1.000 379 Y CA -1.828 56.366 58.100 0.156 0.000 1.051 379 Y CB 1.357 39.922 38.460 0.176 0.000 1.259 379 Y HN -0.361 nan 8.280 nan 0.000 0.468 380 S N 2.040 117.867 115.700 0.212 0.000 2.593 380 S HA 0.083 4.552 4.470 -0.000 0.000 0.269 380 S C -0.031 174.613 174.600 0.074 0.000 1.334 380 S CA -0.482 57.772 58.200 0.089 0.000 1.015 380 S CB -0.010 63.226 63.200 0.060 0.000 0.912 380 S HN 0.811 nan 8.310 nan 0.000 0.541 381 N N -0.814 117.894 118.700 0.014 0.000 2.740 381 N HA -0.136 4.603 4.740 -0.000 0.000 0.248 381 N C -1.012 174.514 175.510 0.026 0.000 1.062 381 N CA 0.364 53.416 53.050 0.004 0.000 0.704 381 N CB -1.735 36.756 38.487 0.006 0.000 0.968 381 N HN 0.308 nan 8.380 nan 0.000 0.547 382 V N 0.349 120.289 119.914 0.043 0.000 2.532 382 V HA 0.560 4.680 4.120 -0.000 0.000 0.295 382 V C 0.680 176.843 176.094 0.115 0.000 1.041 382 V CA -0.180 62.181 62.300 0.100 0.000 0.926 382 V CB 2.242 34.179 31.823 0.190 0.000 0.992 382 V HN 0.232 nan 8.190 nan 0.000 0.457 383 T N 3.695 118.327 114.554 0.131 0.000 2.890 383 T HA 0.737 5.087 4.350 -0.000 0.000 0.295 383 T C -0.448 174.350 174.700 0.163 0.000 0.993 383 T CA -0.341 61.845 62.100 0.144 0.000 0.979 383 T CB 1.489 70.393 68.868 0.060 0.000 0.967 383 T HN 0.947 nan 8.240 nan 0.000 0.441 384 A N 4.074 127.053 122.820 0.265 0.000 2.374 384 A HA 0.946 5.266 4.320 -0.000 0.000 0.305 384 A C -0.302 177.340 177.584 0.097 0.000 1.053 384 A CA -1.087 51.013 52.037 0.105 0.000 0.726 384 A CB 1.329 20.280 19.000 -0.081 0.000 1.229 384 A HN 0.935 nan 8.150 nan 0.000 0.431 385 R N 0.937 121.444 120.500 0.010 0.000 2.734 385 R HA 0.652 4.991 4.340 -0.000 0.000 0.271 385 R C -0.795 175.478 176.300 -0.046 0.000 1.021 385 R CA -0.709 55.392 56.100 0.001 0.000 0.893 385 R CB 0.658 30.973 30.300 0.024 0.000 1.244 385 R HN 0.710 nan 8.270 nan 0.000 0.464 386 N N 0.438 119.108 118.700 -0.050 0.000 2.648 386 N HA -0.171 4.568 4.740 -0.000 0.000 0.265 386 N C -1.226 174.241 175.510 -0.072 0.000 1.100 386 N CA 0.581 53.601 53.050 -0.050 0.000 0.715 386 N CB -0.968 37.495 38.487 -0.039 0.000 0.881 386 N HN 0.432 nan 8.380 nan 0.000 0.548 387 I N 0.683 121.190 120.570 -0.105 0.000 2.436 387 I HA 0.401 4.571 4.170 -0.000 0.000 0.289 387 I C 0.041 176.098 176.117 -0.100 0.000 1.010 387 I CA -1.105 60.124 61.300 -0.120 0.000 1.098 387 I CB 1.969 39.881 38.000 -0.146 0.000 1.266 387 I HN -0.129 nan 8.210 nan 0.000 0.434 388 V N 6.975 126.858 119.914 -0.052 0.000 2.370 388 V HA 0.433 4.553 4.120 -0.000 0.000 0.283 388 V C -0.117 175.886 176.094 -0.150 0.000 1.023 388 V CA -0.447 61.848 62.300 -0.009 0.000 0.857 388 V CB 1.605 33.559 31.823 0.217 0.000 0.985 388 V HN 0.702 nan 8.190 nan 0.000 0.443 389 M N 5.906 125.430 119.600 -0.126 0.000 2.253 389 M HA 0.425 4.905 4.480 -0.000 0.000 0.314 389 M C -1.607 174.675 176.300 -0.029 0.000 1.019 389 M CA -0.543 54.674 55.300 -0.138 0.000 0.932 389 M CB 1.594 34.154 32.600 -0.066 0.000 1.606 389 M HN 0.811 nan 8.290 nan 0.000 0.430 390 W N 6.770 127.946 121.300 -0.208 0.000 2.292 390 W HA 0.345 5.005 4.660 -0.000 0.000 0.352 390 W C -0.747 175.772 176.519 -0.001 0.000 0.962 390 W CA -0.780 56.588 57.345 0.039 0.000 1.496 390 W CB 0.540 30.129 29.460 0.214 0.000 1.381 390 W HN 0.633 nan 8.180 nan 0.000 0.363 391 K N 3.487 124.014 120.400 0.212 0.000 2.326 391 K HA 0.105 4.425 4.320 -0.000 0.000 0.275 391 K C 0.451 177.120 176.600 0.114 0.000 1.018 391 K CA 0.588 56.914 56.287 0.065 0.000 0.962 391 K CB 1.149 33.630 32.500 -0.033 0.000 0.953 391 K HN 0.515 nan 8.250 nan 0.000 0.475 392 E N 1.147 121.329 120.200 -0.029 0.000 3.388 392 E HA 0.180 4.530 4.350 -0.000 0.000 0.390 392 E C 0.055 176.571 176.600 -0.140 0.000 0.432 392 E CA -0.072 56.335 56.400 0.011 0.000 2.109 392 E CB 0.286 29.950 29.700 -0.059 0.000 2.195 392 E HN 0.591 nan 8.360 nan 0.000 0.488 393 S N 0.050 115.684 115.700 -0.110 0.000 2.749 393 S HA 0.285 4.755 4.470 -0.000 0.000 0.246 393 S C -0.669 173.920 174.600 -0.018 0.000 1.023 393 S CA -0.263 57.852 58.200 -0.142 0.000 1.012 393 S CB 0.984 64.194 63.200 0.015 0.000 0.942 393 S HN 0.042 nan 8.310 nan 0.000 0.531 394 V N 0.999 120.921 119.914 0.014 0.000 3.012 394 V HA 0.859 4.979 4.120 -0.000 0.000 0.307 394 V C -0.302 175.940 176.094 0.246 0.000 1.166 394 V CA -0.576 61.843 62.300 0.198 0.000 0.974 394 V CB 1.245 33.152 31.823 0.139 0.000 1.040 394 V HN 0.481 nan 8.190 nan 0.000 0.428 395 A N 4.267 127.264 122.820 0.295 0.000 2.438 395 A HA 0.018 4.338 4.320 -0.000 0.000 0.686 395 A C -2.733 174.987 177.584 0.228 0.000 0.140 395 A CA 0.012 52.178 52.037 0.214 0.000 0.026 395 A CB -1.644 17.462 19.000 0.177 0.000 3.973 395 A HN 0.725 nan 8.150 nan 0.000 0.548 396 P HA 0.335 nan 4.420 nan 0.000 0.273 396 P C 1.094 178.423 177.300 0.047 0.000 1.250 396 P CA 0.269 63.384 63.100 0.024 0.000 0.793 396 P CB 0.583 32.235 31.700 -0.080 0.000 1.011 397 V N 0.378 120.291 119.914 -0.002 0.000 2.323 397 V HA -0.091 4.029 4.120 -0.000 0.000 0.244 397 V C 1.194 177.265 176.094 -0.038 0.000 1.041 397 V CA 1.549 63.834 62.300 -0.026 0.000 1.025 397 V CB -0.236 31.553 31.823 -0.057 0.000 0.656 397 V HN 0.294 nan 8.190 nan 0.000 0.451 398 V N 0.610 120.495 119.914 -0.047 0.000 2.459 398 V HA 0.533 4.653 4.120 -0.000 0.000 0.295 398 V C -0.592 175.574 176.094 0.120 0.000 1.029 398 V CA -0.582 61.751 62.300 0.056 0.000 0.874 398 V CB 1.781 33.634 31.823 0.050 0.000 0.985 398 V HN 0.466 nan 8.190 nan 0.000 0.438 399 E N 4.025 124.332 120.200 0.178 0.000 2.210 399 E HA 0.641 4.991 4.350 -0.000 0.000 0.266 399 E C -0.835 176.011 176.600 0.410 0.000 0.883 399 E CA -0.558 55.962 56.400 0.200 0.000 0.761 399 E CB 1.391 31.195 29.700 0.175 0.000 1.156 399 E HN 0.548 nan 8.360 nan 0.000 0.412 400 F N 2.119 122.180 119.950 0.185 0.000 2.538 400 F HA 0.638 5.165 4.527 -0.000 0.000 0.390 400 F C 0.021 175.904 175.800 0.139 0.000 1.448 400 F CA -0.586 57.569 58.000 0.257 0.000 1.115 400 F CB 0.844 39.968 39.000 0.207 0.000 1.268 400 F HN 0.464 nan 8.300 nan 0.000 0.515 401 G N -0.186 108.578 108.800 -0.061 0.000 4.101 401 G HA2 0.265 4.225 3.960 -0.000 0.000 0.262 401 G HA3 0.265 4.225 3.960 -0.000 0.000 0.262 401 G C -0.942 173.837 174.900 -0.203 0.000 1.181 401 G CA -0.331 44.634 45.100 -0.225 0.000 0.640 401 G HN 0.495 nan 8.290 nan 0.000 0.467 402 W N 0.847 122.123 121.300 -0.040 0.000 2.873 402 W HA 0.330 4.990 4.660 -0.000 0.000 0.282 402 W C 0.591 177.173 176.519 0.105 0.000 1.118 402 W CA 0.118 57.484 57.345 0.035 0.000 1.480 402 W CB 1.544 30.984 29.460 -0.033 0.000 0.954 402 W HN 0.262 nan 8.180 nan 0.000 0.591 403 T N 1.874 116.562 114.554 0.223 0.000 3.032 403 T HA 0.227 4.577 4.350 -0.000 0.000 0.312 403 T C -2.800 171.936 174.700 0.061 0.000 1.078 403 T CA -1.268 60.931 62.100 0.166 0.000 1.028 403 T CB 2.421 71.373 68.868 0.141 0.000 1.091 403 T HN -0.420 nan 8.240 nan 0.000 0.457 404 P HA 0.389 nan 4.420 nan 0.000 0.271 404 P C -0.786 176.531 177.300 0.028 0.000 1.218 404 P CA -0.411 62.705 63.100 0.026 0.000 0.780 404 P CB 0.781 32.503 31.700 0.038 0.000 0.901 405 R N 0.463 120.976 120.500 0.022 0.000 2.716 405 R HA 0.445 4.785 4.340 -0.000 0.000 0.271 405 R C -1.179 175.130 176.300 0.015 0.000 1.028 405 R CA -0.986 55.124 56.100 0.016 0.000 0.883 405 R CB 0.710 31.003 30.300 -0.012 0.000 1.250 405 R HN 0.190 nan 8.270 nan 0.000 0.465 406 N N 0.100 118.809 118.700 0.016 0.000 2.420 406 N HA 0.288 5.027 4.740 -0.000 0.000 0.249 406 N C -1.340 174.175 175.510 0.008 0.000 1.033 406 N CA 0.010 53.065 53.050 0.009 0.000 0.944 406 N CB 1.629 40.126 38.487 0.016 0.000 1.113 406 N HN 0.388 nan 8.380 nan 0.000 0.502 407 T N 1.338 115.884 114.554 -0.013 0.000 2.893 407 T HA 0.434 4.784 4.350 -0.000 0.000 0.293 407 T C -0.938 173.721 174.700 -0.068 0.000 1.027 407 T CA -0.822 61.265 62.100 -0.021 0.000 0.988 407 T CB 1.645 70.502 68.868 -0.019 0.000 1.043 407 T HN 0.611 nan 8.240 nan 0.000 0.461 408 E N 1.159 121.319 120.200 -0.068 0.000 2.412 408 E HA 0.504 4.854 4.350 -0.000 0.000 0.279 408 E C -1.336 175.194 176.600 -0.117 0.000 0.984 408 E CA -1.300 55.034 56.400 -0.111 0.000 0.788 408 E CB 1.019 30.668 29.700 -0.085 0.000 1.277 408 E HN 0.675 nan 8.360 nan 0.000 0.455 409 N N -0.363 118.241 118.700 -0.160 0.000 2.568 409 N HA -0.115 4.625 4.740 -0.000 0.000 0.277 409 N C -1.493 173.917 175.510 -0.166 0.000 1.200 409 N CA 0.400 53.358 53.050 -0.153 0.000 0.702 409 N CB -0.705 37.724 38.487 -0.096 0.000 0.889 409 N HN 0.333 nan 8.380 nan 0.000 0.546 410 V N 1.419 121.173 119.914 -0.267 0.000 2.735 410 V HA 0.713 4.833 4.120 -0.000 0.000 0.310 410 V C -0.411 175.460 176.094 -0.372 0.000 1.061 410 V CA -0.789 61.321 62.300 -0.316 0.000 0.913 410 V CB 2.054 33.599 31.823 -0.462 0.000 1.005 410 V HN 0.318 nan 8.190 nan 0.000 0.428 411 L N 4.984 126.073 121.223 -0.224 0.000 2.439 411 L HA 0.725 5.065 4.340 -0.000 0.000 0.270 411 L C -1.810 175.214 176.870 0.257 0.000 0.972 411 L CA 0.025 54.815 54.840 -0.082 0.000 0.836 411 L CB 1.565 43.615 42.059 -0.016 0.000 1.255 411 L HN 0.424 nan 8.230 nan 0.000 0.404 412 F N 3.286 123.369 119.950 0.221 0.000 2.430 412 F HA 0.468 4.995 4.527 -0.000 0.000 0.362 412 F C -0.106 175.914 175.800 0.368 0.000 1.103 412 F CA -1.248 56.961 58.000 0.348 0.000 1.045 412 F CB 1.312 40.697 39.000 0.641 0.000 1.276 412 F HN 0.489 nan 8.300 nan 0.000 0.444 413 D N 1.685 122.296 120.400 0.352 0.000 2.342 413 D HA 0.279 4.918 4.640 -0.000 0.000 0.243 413 D C -0.152 176.188 176.300 0.067 0.000 1.019 413 D CA -0.217 53.914 54.000 0.218 0.000 0.864 413 D CB 1.131 42.015 40.800 0.140 0.000 1.315 413 D HN 0.571 nan 8.370 nan 0.000 0.468 414 N N 2.134 120.849 118.700 0.025 0.000 2.573 414 N HA -0.160 4.580 4.740 -0.000 0.000 0.280 414 N C -1.577 173.815 175.510 -0.196 0.000 1.187 414 N CA -0.052 52.961 53.050 -0.061 0.000 0.717 414 N CB -0.346 38.130 38.487 -0.019 0.000 0.899 414 N HN 0.121 nan 8.380 nan 0.000 0.546 415 V N 2.190 121.844 119.914 -0.433 0.000 2.376 415 V HA 0.262 4.382 4.120 -0.000 0.000 0.287 415 V C -0.158 175.661 176.094 -0.458 0.000 1.015 415 V CA -0.630 61.311 62.300 -0.598 0.000 0.834 415 V CB 1.578 32.639 31.823 -1.270 0.000 1.001 415 V HN 0.366 nan 8.190 nan 0.000 0.428 416 D N 4.185 124.439 120.400 -0.244 0.000 2.329 416 D HA 0.324 4.963 4.640 -0.000 0.000 0.232 416 D C -0.516 175.699 176.300 -0.143 0.000 1.088 416 D CA -0.211 53.693 54.000 -0.160 0.000 0.835 416 D CB 2.077 42.821 40.800 -0.094 0.000 1.078 416 D HN 0.274 nan 8.370 nan 0.000 0.495 417 V N 7.105 126.937 119.914 -0.136 0.000 2.304 417 V HA 0.092 4.212 4.120 -0.000 0.000 0.262 417 V C 1.820 177.814 176.094 -0.167 0.000 1.061 417 V CA -0.406 61.824 62.300 -0.117 0.000 0.872 417 V CB 0.320 32.096 31.823 -0.079 0.000 1.077 417 V HN 0.561 nan 8.190 nan 0.000 0.480 418 I N 0.616 121.067 120.570 -0.199 0.000 2.830 418 I HA 0.120 4.290 4.170 -0.000 0.000 0.263 418 I C 0.677 176.321 176.117 -0.789 0.000 1.230 418 I CA 1.162 62.228 61.300 -0.391 0.000 1.480 418 I CB -0.216 37.617 38.000 -0.278 0.000 1.095 418 I HN 0.561 nan 8.210 nan 0.000 0.455 419 H N -0.271 118.568 119.070 -0.385 0.000 3.042 419 H HA 0.618 5.174 4.556 -0.000 0.000 0.346 419 H C -1.259 173.949 175.328 -0.200 0.000 1.294 419 H CA -0.612 55.184 56.048 -0.419 0.000 1.141 419 H CB 1.476 30.675 29.762 -0.937 0.000 1.872 419 H HN 0.114 nan 8.280 nan 0.000 0.541 420 Q N 0.428 120.248 119.800 0.033 0.000 2.435 420 Q HA 0.751 5.091 4.340 -0.000 0.000 0.282 420 Q C -1.454 174.563 176.000 0.029 0.000 1.020 420 Q CA -0.949 54.849 55.803 -0.009 0.000 0.820 420 Q CB 3.159 31.937 28.738 0.067 0.000 1.436 420 Q HN 0.691 nan 8.270 nan 0.000 0.395 421 A N 1.627 124.405 122.820 -0.070 0.000 3.455 421 A HA 0.387 4.706 4.320 -0.000 0.000 0.225 421 A C -1.507 176.116 177.584 0.064 0.000 1.052 421 A CA -0.391 51.691 52.037 0.074 0.000 1.005 421 A CB 0.053 19.162 19.000 0.182 0.000 1.318 421 A HN 0.573 nan 8.150 nan 0.000 0.639 422 Y N -0.514 119.879 120.300 0.155 0.000 2.385 422 Y HA 0.341 4.891 4.550 -0.000 0.000 0.346 422 Y C 1.542 177.526 175.900 0.139 0.000 1.270 422 Y CA 1.217 59.395 58.100 0.131 0.000 1.472 422 Y CB 0.928 39.444 38.460 0.094 0.000 1.354 422 Y HN 0.450 nan 8.280 nan 0.000 0.611 423 A N 1.044 124.041 122.820 0.294 0.000 1.997 423 A HA 0.201 4.521 4.320 -0.000 0.000 0.198 423 A C 0.231 177.915 177.584 0.167 0.000 1.449 423 A CA 0.469 52.630 52.037 0.206 0.000 0.908 423 A CB 0.071 19.167 19.000 0.160 0.000 0.984 423 A HN 0.803 nan 8.150 nan 0.000 0.487 424 N N -2.765 116.034 118.700 0.164 0.000 3.020 424 N HA 0.386 5.126 4.740 -0.000 0.000 0.248 424 N C 0.635 176.210 175.510 0.108 0.000 1.480 424 N CA 0.033 53.155 53.050 0.121 0.000 0.874 424 N CB 1.073 39.622 38.487 0.103 0.000 1.433 424 N HN 0.073 nan 8.380 nan 0.000 0.530 425 A N 0.009 122.883 122.820 0.091 0.000 2.019 425 A HA 0.036 4.356 4.320 -0.000 0.000 0.219 425 A C 1.907 179.558 177.584 0.111 0.000 1.164 425 A CA 2.055 54.150 52.037 0.097 0.000 0.644 425 A CB -1.331 17.735 19.000 0.110 0.000 0.805 425 A HN 0.804 nan 8.150 nan 0.000 0.449 426 G N -0.254 108.613 108.800 0.111 0.000 2.509 426 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 426 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 426 G C 1.056 176.040 174.900 0.139 0.000 1.124 426 G CA 0.661 45.834 45.100 0.122 0.000 0.776 426 G HN 0.564 nan 8.290 nan 0.000 0.547 427 N N 1.516 120.304 118.700 0.148 0.000 2.521 427 N HA -0.037 4.703 4.740 -0.000 0.000 0.188 427 N C 0.264 175.870 175.510 0.160 0.000 1.146 427 N CA 0.133 53.300 53.050 0.196 0.000 0.893 427 N CB -0.142 38.531 38.487 0.309 0.000 0.975 427 N HN 0.153 nan 8.380 nan 0.000 0.451 428 N N 0.664 119.415 118.700 0.084 0.000 2.688 428 N HA -0.119 4.621 4.740 -0.000 0.000 0.258 428 N C -2.537 172.898 175.510 -0.125 0.000 1.016 428 N CA 0.519 53.577 53.050 0.013 0.000 0.747 428 N CB -0.668 37.835 38.487 0.026 0.000 0.895 428 N HN 0.355 nan 8.380 nan 0.000 0.543 429 P HA 0.425 nan 4.420 nan 0.000 0.274 429 P C 0.575 177.500 177.300 -0.625 0.000 1.256 429 P CA 0.515 63.023 63.100 -0.987 0.000 0.795 429 P CB 1.130 32.106 31.700 -1.205 0.000 1.038 430 G N -0.280 108.154 108.800 -0.610 0.000 2.379 430 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.609 430 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.609 430 G C 0.311 175.069 174.900 -0.237 0.000 1.484 430 G CA -0.582 44.310 45.100 -0.347 0.000 0.921 430 G HN 0.333 nan 8.290 nan 0.000 0.658 431 I N -0.011 120.391 120.570 -0.280 0.000 2.193 431 I HA 0.133 4.303 4.170 -0.000 0.000 0.240 431 I C 0.778 176.498 176.117 -0.663 0.000 1.084 431 I CA 1.064 62.080 61.300 -0.475 0.000 1.365 431 I CB -0.069 37.524 38.000 -0.678 0.000 1.064 431 I HN 0.311 nan 8.210 nan 0.000 0.410 432 F N 1.112 120.904 119.950 -0.263 0.000 2.325 432 F HA 0.559 5.086 4.527 -0.000 0.000 0.369 432 F C 0.557 176.260 175.800 -0.162 0.000 1.095 432 F CA -0.695 57.081 58.000 -0.372 0.000 1.082 432 F CB 1.230 39.872 39.000 -0.598 0.000 1.289 432 F HN -0.142 nan 8.300 nan 0.000 0.462 433 G N 1.379 110.169 108.800 -0.016 0.000 2.605 433 G HA2 0.781 4.740 3.960 -0.000 0.000 0.296 433 G HA3 0.781 4.740 3.960 -0.000 0.000 0.296 433 G C -1.798 172.824 174.900 -0.463 0.000 1.304 433 G CA -1.172 43.803 45.100 -0.209 0.000 0.941 433 G HN 0.740 nan 8.290 nan 0.000 0.475 434 A N 0.544 123.002 122.820 -0.603 0.000 2.684 434 A HA 0.611 4.931 4.320 -0.000 0.000 0.289 434 A C 0.133 177.430 177.584 -0.479 0.000 1.139 434 A CA -0.175 51.398 52.037 -0.773 0.000 0.793 434 A CB 0.411 18.632 19.000 -1.299 0.000 1.334 434 A HN 2.030 nan 8.150 nan 0.000 0.408 435 V N 1.158 120.768 119.914 -0.506 0.000 3.697 435 V HA 0.379 4.498 4.120 -0.000 0.000 0.285 435 V C 0.812 176.696 176.094 -0.350 0.000 1.041 435 V CA -0.285 61.755 62.300 -0.434 0.000 1.045 435 V CB 0.070 31.422 31.823 -0.785 0.000 1.227 435 V HN 0.846 nan 8.190 nan 0.000 0.448 436 N N 0.581 119.198 118.700 -0.138 0.000 2.263 436 N HA 0.061 4.801 4.740 -0.000 0.000 0.239 436 N C 0.100 175.694 175.510 0.139 0.000 1.317 436 N CA -0.173 52.953 53.050 0.126 0.000 0.909 436 N CB 0.094 38.770 38.487 0.314 0.000 1.171 436 N HN 0.935 nan 8.380 nan 0.000 0.492 437 N N 1.013 119.915 118.700 0.336 0.000 2.431 437 N HA -0.079 4.661 4.740 -0.000 0.000 0.265 437 N C 0.410 176.167 175.510 0.411 0.000 1.184 437 N CA 0.132 53.404 53.050 0.370 0.000 0.943 437 N CB 0.111 38.870 38.487 0.455 0.000 1.080 437 N HN 0.590 nan 8.380 nan 0.000 0.477 438 Y N 4.034 124.587 120.300 0.422 0.000 2.315 438 Y HA -0.095 4.455 4.550 -0.000 0.000 0.288 438 Y C 1.475 177.431 175.900 0.094 0.000 1.154 438 Y CA 1.078 59.402 58.100 0.373 0.000 1.229 438 Y CB -0.205 38.404 38.460 0.248 0.000 0.980 438 Y HN 0.524 nan 8.280 nan 0.000 0.540 439 L N -0.881 119.866 121.223 -0.793 0.000 2.191 439 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 439 L C 1.260 177.628 176.870 -0.837 0.000 1.103 439 L CA 1.582 55.785 54.840 -1.062 0.000 0.769 439 L CB -0.393 40.914 42.059 -1.253 0.000 0.908 439 L HN 0.355 nan 8.230 nan 0.000 0.438 440 Y N -1.936 118.363 120.300 -0.001 0.000 2.426 440 Y HA 0.444 4.994 4.550 -0.000 0.000 0.249 440 Y C 0.884 176.849 175.900 0.109 0.000 1.103 440 Y CA -0.041 58.091 58.100 0.053 0.000 1.256 440 Y CB 0.507 39.005 38.460 0.062 0.000 1.208 440 Y HN -0.046 nan 8.280 nan 0.000 0.519 441 A N 1.114 124.101 122.820 0.277 0.000 3.370 441 A HA 0.367 4.687 4.320 -0.000 0.000 0.295 441 A C -2.027 175.776 177.584 0.366 0.000 1.030 441 A CA -1.081 51.126 52.037 0.282 0.000 0.883 441 A CB 0.201 19.373 19.000 0.287 0.000 1.191 441 A HN -0.045 nan 8.150 nan 0.000 0.507 442 P HA -0.230 nan 4.420 nan 0.000 0.218 442 P C 0.571 178.143 177.300 0.453 0.000 1.146 442 P CA 1.909 65.228 63.100 0.364 0.000 0.820 442 P CB 0.132 31.967 31.700 0.225 0.000 0.778 443 D N -1.626 119.007 120.400 0.387 0.000 2.339 443 D HA 0.076 4.716 4.640 -0.000 0.000 0.217 443 D C 1.494 178.043 176.300 0.415 0.000 1.050 443 D CA 0.514 54.746 54.000 0.386 0.000 0.856 443 D CB -0.805 40.147 40.800 0.253 0.000 0.922 443 D HN 0.268 nan 8.370 nan 0.000 0.518 444 G N 0.219 109.265 108.800 0.410 0.000 2.205 444 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.261 444 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.261 444 G C -0.113 174.813 174.900 0.043 0.000 0.980 444 G CA 0.416 45.512 45.100 -0.007 0.000 0.632 444 G HN 0.488 nan 8.290 nan 0.000 0.533 445 L N 0.860 122.168 121.223 0.142 0.000 2.376 445 L HA 0.843 5.183 4.340 -0.000 0.000 0.275 445 L C -0.661 176.290 176.870 0.134 0.000 0.987 445 L CA 0.151 55.075 54.840 0.140 0.000 0.828 445 L CB 1.576 43.714 42.059 0.132 0.000 1.249 445 L HN 0.541 nan 8.230 nan 0.000 0.409 446 S N 1.828 117.610 115.700 0.136 0.000 2.552 446 S HA 0.323 4.793 4.470 -0.000 0.000 0.272 446 S C 0.560 175.161 174.600 0.002 0.000 1.150 446 S CA 0.163 58.408 58.200 0.076 0.000 0.849 446 S CB 1.536 64.802 63.200 0.110 0.000 1.113 446 S HN 0.742 nan 8.310 nan 0.000 0.458 447 S N 2.933 118.524 115.700 -0.181 0.000 2.562 447 S HA -0.011 4.459 4.470 -0.000 0.000 0.221 447 S C 1.571 175.653 174.600 -0.863 0.000 0.975 447 S CA 0.580 58.466 58.200 -0.523 0.000 0.918 447 S CB -0.506 62.480 63.200 -0.357 0.000 0.772 447 S HN 0.697 nan 8.310 nan 0.000 0.531 448 N N 2.622 121.045 118.700 -0.461 0.000 2.002 448 N HA -0.307 4.433 4.740 -0.000 0.000 0.199 448 N C 0.425 175.578 175.510 -0.596 0.000 1.060 448 N CA 2.333 55.137 53.050 -0.410 0.000 0.867 448 N CB -0.772 37.592 38.487 -0.204 0.000 1.069 448 N HN 0.780 nan 8.380 nan 0.000 0.430 449 H N -2.685 115.816 119.070 -0.949 0.000 3.080 449 H HA -0.104 4.452 4.556 -0.000 0.000 0.254 449 H C -0.230 174.386 175.328 -1.187 0.000 1.179 449 H CA 0.372 55.151 56.048 -2.114 0.000 1.144 449 H CB -1.607 27.212 29.762 -1.572 0.000 1.261 449 H HN 0.126 nan 8.280 nan 0.000 0.333 450 S N 0.167 115.615 115.700 -0.420 0.000 2.711 450 S HA 0.085 4.555 4.470 -0.000 0.000 0.247 450 S C 1.205 175.817 174.600 0.020 0.000 1.079 450 S CA 0.409 58.570 58.200 -0.065 0.000 1.050 450 S CB 0.659 63.810 63.200 -0.082 0.000 0.885 450 S HN 0.562 nan 8.310 nan 0.000 0.498 451 T N -1.580 113.077 114.554 0.173 0.000 3.182 451 T HA 0.385 4.735 4.350 -0.000 0.000 0.277 451 T C 0.878 175.803 174.700 0.375 0.000 1.013 451 T CA -0.252 61.963 62.100 0.193 0.000 0.900 451 T CB 0.506 69.446 68.868 0.120 0.000 1.098 451 T HN 0.239 nan 8.240 nan 0.000 0.543 452 G N 0.974 110.061 108.800 0.478 0.000 2.588 452 G HA2 0.443 4.403 3.960 -0.000 0.000 0.281 452 G HA3 0.443 4.403 3.960 -0.000 0.000 0.281 452 G C -0.844 174.176 174.900 0.199 0.000 1.236 452 G CA -1.007 44.287 45.100 0.324 0.000 0.969 452 G HN 0.521 nan 8.290 nan 0.000 0.504 453 N N -1.704 117.073 118.700 0.129 0.000 2.491 453 N HA 0.265 5.005 4.740 -0.000 0.000 0.274 453 N C 1.017 176.573 175.510 0.077 0.000 1.023 453 N CA -0.248 52.862 53.050 0.100 0.000 0.902 453 N CB 1.233 39.769 38.487 0.082 0.000 1.267 453 N HN 0.357 nan 8.380 nan 0.000 0.503 454 S N 2.375 118.124 115.700 0.082 0.000 2.607 454 S HA 0.029 4.499 4.470 -0.000 0.000 0.224 454 S C 0.669 175.296 174.600 0.046 0.000 0.969 454 S CA 0.128 58.367 58.200 0.066 0.000 0.927 454 S CB -0.048 63.200 63.200 0.080 0.000 0.772 454 S HN 0.601 nan 8.310 nan 0.000 0.533 455 N N 0.771 119.498 118.700 0.045 0.000 2.280 455 N HA 0.318 5.058 4.740 -0.000 0.000 0.192 455 N C -0.240 175.285 175.510 0.026 0.000 1.109 455 N CA 0.306 53.376 53.050 0.034 0.000 0.855 455 N CB 0.239 38.748 38.487 0.037 0.000 0.974 455 N HN 0.501 nan 8.380 nan 0.000 0.482 456 M N -0.074 119.540 119.600 0.024 0.000 2.602 456 M HA 0.349 4.829 4.480 -0.000 0.000 0.312 456 M C -0.678 175.622 176.300 -0.001 0.000 1.181 456 M CA -0.273 55.035 55.300 0.015 0.000 0.910 456 M CB 2.490 35.103 32.600 0.022 0.000 1.723 456 M HN -0.266 nan 8.290 nan 0.000 0.459 457 T N 1.060 115.607 114.554 -0.012 0.000 2.933 457 T HA 0.492 4.842 4.350 -0.000 0.000 0.305 457 T C -1.059 173.613 174.700 -0.047 0.000 1.092 457 T CA -0.623 61.457 62.100 -0.033 0.000 1.008 457 T CB 2.122 70.964 68.868 -0.042 0.000 1.102 457 T HN 0.369 nan 8.240 nan 0.000 0.469 458 V N 4.414 124.288 119.914 -0.067 0.000 2.347 458 V HA 0.582 4.702 4.120 -0.000 0.000 0.280 458 V C 0.138 176.133 176.094 -0.164 0.000 1.021 458 V CA -0.648 61.590 62.300 -0.103 0.000 0.847 458 V CB 0.719 32.490 31.823 -0.086 0.000 0.990 458 V HN 0.827 nan 8.190 nan 0.000 0.444 459 R N 3.220 123.613 120.500 -0.178 0.000 2.795 459 R HA 0.645 4.985 4.340 -0.000 0.000 0.275 459 R C -0.127 176.022 176.300 -0.251 0.000 0.981 459 R CA -1.016 54.962 56.100 -0.203 0.000 0.917 459 R CB 0.889 31.104 30.300 -0.142 0.000 1.202 459 R HN 0.446 nan 8.270 nan 0.000 0.469 460 N N 0.970 119.503 118.700 -0.277 0.000 2.641 460 N HA -0.135 4.605 4.740 -0.000 0.000 0.267 460 N C -1.269 174.000 175.510 -0.402 0.000 1.087 460 N CA 0.519 53.389 53.050 -0.300 0.000 0.731 460 N CB -0.435 37.923 38.487 -0.214 0.000 0.886 460 N HN 0.621 nan 8.380 nan 0.000 0.547 461 I N 0.837 121.062 120.570 -0.575 0.000 2.441 461 I HA 0.422 4.592 4.170 -0.000 0.000 0.295 461 I C 0.541 176.094 176.117 -0.941 0.000 0.994 461 I CA -0.321 60.481 61.300 -0.830 0.000 1.144 461 I CB 1.631 38.940 38.000 -1.152 0.000 1.314 461 I HN 0.188 nan 8.210 nan 0.000 0.445 462 T N 5.493 119.518 114.554 -0.881 0.000 2.881 462 T HA 0.396 4.746 4.350 -0.000 0.000 0.291 462 T C -1.171 173.215 174.700 -0.523 0.000 0.990 462 T CA -0.385 61.314 62.100 -0.669 0.000 0.976 462 T CB 1.028 69.686 68.868 -0.350 0.000 0.970 462 T HN 0.329 nan 8.240 nan 0.000 0.438 463 W N 3.753 124.849 121.300 -0.341 0.000 2.336 463 W HA 0.529 5.189 4.660 -0.000 0.000 0.315 463 W C 0.181 176.694 176.519 -0.011 0.000 1.016 463 W CA -1.130 56.101 57.345 -0.190 0.000 1.318 463 W CB 0.694 29.713 29.460 -0.736 0.000 1.247 463 W HN 0.663 nan 8.180 nan 0.000 0.414 464 S N 1.964 117.925 115.700 0.436 0.000 2.513 464 S HA 0.419 4.888 4.470 -0.000 0.000 0.299 464 S C 0.189 175.037 174.600 0.414 0.000 1.087 464 S CA -0.676 57.720 58.200 0.326 0.000 1.012 464 S CB 1.753 65.047 63.200 0.157 0.000 1.044 464 S HN 0.457 nan 8.310 nan 0.000 0.485 465 N N 0.027 118.915 118.700 0.315 0.000 2.756 465 N HA -0.142 4.597 4.740 -0.000 0.000 0.248 465 N C -1.351 174.307 175.510 0.246 0.000 1.062 465 N CA 0.578 53.767 53.050 0.231 0.000 0.696 465 N CB -1.491 37.074 38.487 0.129 0.000 0.946 465 N HN 0.613 nan 8.380 nan 0.000 0.548 466 F N 0.797 120.828 119.950 0.136 0.000 2.375 466 F HA 0.400 4.927 4.527 -0.000 0.000 0.333 466 F C 1.248 177.071 175.800 0.038 0.000 1.104 466 F CA -0.282 57.772 58.000 0.090 0.000 1.149 466 F CB 1.000 40.067 39.000 0.111 0.000 1.190 466 F HN -0.011 nan 8.300 nan 0.000 0.533 467 R N 2.078 122.611 120.500 0.056 0.000 2.515 467 R HA 0.726 5.065 4.340 -0.000 0.000 0.291 467 R C -1.824 174.457 176.300 -0.032 0.000 1.046 467 R CA -0.595 55.515 56.100 0.017 0.000 0.914 467 R CB 1.235 31.520 30.300 -0.025 0.000 1.191 467 R HN 0.714 nan 8.270 nan 0.000 0.435 468 A N 4.287 127.091 122.820 -0.027 0.000 2.256 468 A HA 0.386 4.706 4.320 -0.000 0.000 0.317 468 A C -0.617 176.904 177.584 -0.104 0.000 1.318 468 A CA -0.621 51.376 52.037 -0.068 0.000 0.894 468 A CB 0.749 19.719 19.000 -0.049 0.000 1.165 468 A HN 0.820 nan 8.150 nan 0.000 0.525 469 E N 1.316 121.421 120.200 -0.159 0.000 2.283 469 E HA 0.543 4.893 4.350 -0.000 0.000 0.271 469 E C 0.903 177.380 176.600 -0.206 0.000 1.031 469 E CA 0.446 56.729 56.400 -0.194 0.000 0.868 469 E CB 1.242 30.782 29.700 -0.266 0.000 1.094 469 E HN 1.292 nan 8.360 nan 0.000 0.401 470 G N 1.584 110.286 108.800 -0.164 0.000 2.645 470 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.246 470 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.246 470 G C -0.181 174.681 174.900 -0.065 0.000 1.322 470 G CA -0.265 44.767 45.100 -0.113 0.000 0.898 470 G HN 0.743 nan 8.290 nan 0.000 0.573 471 S N -0.865 114.828 115.700 -0.011 0.000 2.564 471 S HA 0.627 5.097 4.470 -0.000 0.000 0.278 471 S C 0.276 174.911 174.600 0.059 0.000 1.333 471 S CA 0.800 59.021 58.200 0.035 0.000 1.048 471 S CB 1.693 64.940 63.200 0.078 0.000 0.900 471 S HN 2.053 nan 8.310 nan 0.000 0.505 472 S N 1.287 117.038 115.700 0.086 0.000 2.634 472 S HA 0.746 5.216 4.470 -0.000 0.000 0.296 472 S C 0.022 174.772 174.600 0.251 0.000 1.104 472 S CA -0.484 57.794 58.200 0.130 0.000 0.920 472 S CB 1.290 64.500 63.200 0.015 0.000 1.111 472 S HN 1.133 nan 8.310 nan 0.000 0.493 473 S N 1.971 117.800 115.700 0.215 0.000 2.671 473 S HA 0.776 5.245 4.470 -0.000 0.000 0.272 473 S C 0.536 175.203 174.600 0.111 0.000 1.174 473 S CA -0.321 57.934 58.200 0.090 0.000 1.004 473 S CB 0.172 63.239 63.200 -0.221 0.000 1.077 473 S HN 1.329 nan 8.310 nan 0.000 0.553 474 A N 0.156 122.947 122.820 -0.049 0.000 2.555 474 A HA 0.232 4.552 4.320 -0.000 0.000 0.233 474 A C 1.111 178.655 177.584 -0.066 0.000 1.060 474 A CA -0.251 51.738 52.037 -0.080 0.000 0.759 474 A CB -0.519 18.296 19.000 -0.308 0.000 0.995 474 A HN 1.142 nan 8.150 nan 0.000 0.506 475 L N 1.769 122.990 121.223 -0.003 0.000 2.079 475 L HA 0.109 4.449 4.340 -0.000 0.000 0.210 475 L C 0.362 177.282 176.870 0.083 0.000 1.081 475 L CA 2.280 57.112 54.840 -0.013 0.000 0.752 475 L CB -0.588 41.427 42.059 -0.073 0.000 0.896 475 L HN 0.865 nan 8.230 nan 0.000 0.433 476 F N -2.289 117.599 119.950 -0.104 0.000 2.672 476 F HA 0.590 5.117 4.527 -0.000 0.000 0.311 476 F C -0.797 174.756 175.800 -0.412 0.000 1.113 476 F CA -1.311 56.602 58.000 -0.144 0.000 0.996 476 F CB 0.707 39.753 39.000 0.076 0.000 1.286 476 F HN -0.348 nan 8.300 nan 0.000 0.441 477 R N 4.515 124.749 120.500 -0.442 0.000 2.472 477 R HA 0.611 4.950 4.340 -0.000 0.000 0.294 477 R C -1.693 174.194 176.300 -0.688 0.000 1.243 477 R CA -0.556 54.792 56.100 -1.253 0.000 1.023 477 R CB 1.864 31.142 30.300 -1.703 0.000 1.157 477 R HN 0.759 nan 8.270 nan 0.000 0.530 478 I N 2.274 122.714 120.570 -0.217 0.000 2.410 478 I HA 0.255 4.425 4.170 -0.000 0.000 0.286 478 I C -0.348 175.820 176.117 0.085 0.000 1.009 478 I CA -0.804 60.452 61.300 -0.074 0.000 1.111 478 I CB 1.810 39.824 38.000 0.023 0.000 1.262 478 I HN 0.314 nan 8.210 nan 0.000 0.443 479 N N 7.923 126.569 118.700 -0.090 0.000 2.414 479 N HA 0.277 5.017 4.740 -0.000 0.000 0.256 479 N C -2.477 172.618 175.510 -0.691 0.000 1.029 479 N CA -1.354 51.507 53.050 -0.315 0.000 0.948 479 N CB 1.663 39.897 38.487 -0.422 0.000 1.102 479 N HN 0.201 nan 8.380 nan 0.000 0.496 480 P HA 0.171 nan 4.420 nan 0.000 0.244 480 P C 1.158 178.085 177.300 -0.622 0.000 1.769 480 P CA -0.161 62.667 63.100 -0.453 0.000 1.102 480 P CB -0.300 31.250 31.700 -0.249 0.000 1.937 481 I N -1.128 118.971 120.570 -0.786 0.000 2.756 481 I HA -0.106 4.064 4.170 -0.000 0.000 0.262 481 I C 0.661 176.667 176.117 -0.185 0.000 1.225 481 I CA 0.812 61.735 61.300 -0.630 0.000 1.472 481 I CB -0.379 37.288 38.000 -0.555 0.000 1.094 481 I HN 0.165 nan 8.210 nan 0.000 0.454 482 Q N 1.252 120.967 119.800 -0.141 0.000 2.565 482 Q HA 0.360 4.699 4.340 -0.000 0.000 0.294 482 Q C -1.397 174.568 176.000 -0.058 0.000 1.005 482 Q CA -0.871 54.905 55.803 -0.045 0.000 0.771 482 Q CB 0.761 29.489 28.738 -0.017 0.000 1.486 482 Q HN 0.153 nan 8.270 nan 0.000 0.422 483 N N 0.670 119.347 118.700 -0.038 0.000 2.441 483 N HA 0.260 5.000 4.740 -0.000 0.000 0.251 483 N C -0.444 175.015 175.510 -0.085 0.000 1.242 483 N CA 0.362 53.374 53.050 -0.063 0.000 0.898 483 N CB 0.381 38.843 38.487 -0.041 0.000 1.100 483 N HN 0.430 nan 8.380 nan 0.000 0.443 484 L N 0.940 122.087 121.223 -0.128 0.000 2.385 484 L HA 0.412 4.752 4.340 -0.000 0.000 0.273 484 L C -0.560 176.223 176.870 -0.145 0.000 0.990 484 L CA -0.810 53.950 54.840 -0.133 0.000 0.821 484 L CB 1.924 43.901 42.059 -0.137 0.000 1.279 484 L HN 0.466 nan 8.230 nan 0.000 0.412 485 D N 2.698 123.003 120.400 -0.158 0.000 2.970 485 D HA 0.247 4.886 4.640 -0.000 0.000 0.230 485 D C -0.409 175.767 176.300 -0.206 0.000 1.276 485 D CA -0.240 53.666 54.000 -0.156 0.000 0.910 485 D CB 1.094 41.822 40.800 -0.120 0.000 1.590 485 D HN 0.450 nan 8.370 nan 0.000 0.551 486 N N 3.097 121.669 118.700 -0.213 0.000 2.648 486 N HA -0.170 4.569 4.740 -0.000 0.000 0.265 486 N C -1.518 173.750 175.510 -0.404 0.000 1.100 486 N CA 0.632 53.523 53.050 -0.265 0.000 0.715 486 N CB -1.060 37.297 38.487 -0.215 0.000 0.881 486 N HN 0.551 nan 8.380 nan 0.000 0.548 487 I N 0.973 121.238 120.570 -0.508 0.000 2.378 487 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 487 I C -0.001 175.568 176.117 -0.912 0.000 0.992 487 I CA -0.678 60.139 61.300 -0.806 0.000 1.154 487 I CB 1.729 39.242 38.000 -0.812 0.000 1.315 487 I HN 0.192 nan 8.210 nan 0.000 0.448 488 S N 7.038 122.210 115.700 -0.880 0.000 2.519 488 S HA 0.603 5.073 4.470 -0.000 0.000 0.309 488 S C -0.378 173.840 174.600 -0.637 0.000 1.100 488 S CA -0.529 57.258 58.200 -0.687 0.000 1.059 488 S CB 1.666 64.600 63.200 -0.444 0.000 1.008 488 S HN 0.363 nan 8.310 nan 0.000 0.478 489 I N 3.274 123.522 120.570 -0.537 0.000 2.330 489 I HA 0.362 4.532 4.170 -0.000 0.000 0.289 489 I C -0.193 175.833 176.117 -0.151 0.000 1.001 489 I CA -0.320 60.779 61.300 -0.334 0.000 1.193 489 I CB 1.074 38.870 38.000 -0.340 0.000 1.345 489 I HN 0.343 nan 8.210 nan 0.000 0.461 490 K N 6.178 126.554 120.400 -0.040 0.000 2.535 490 K HA 0.368 4.688 4.320 -0.000 0.000 0.253 490 K C -1.165 175.504 176.600 0.115 0.000 0.953 490 K CA -0.854 55.448 56.287 0.025 0.000 0.863 490 K CB 1.236 33.733 32.500 -0.004 0.000 1.111 490 K HN 0.540 nan 8.250 nan 0.000 0.431 491 N N 1.006 119.789 118.700 0.137 0.000 2.371 491 N HA -0.158 4.582 4.740 -0.000 0.000 0.286 491 N C -1.406 174.245 175.510 0.235 0.000 1.438 491 N CA 0.378 53.531 53.050 0.172 0.000 0.640 491 N CB -0.492 38.079 38.487 0.139 0.000 0.914 491 N HN 0.370 nan 8.380 nan 0.000 0.495 492 V N 1.454 121.528 119.914 0.266 0.000 2.612 492 V HA 0.728 4.848 4.120 -0.000 0.000 0.301 492 V C -0.415 175.869 176.094 0.316 0.000 1.059 492 V CA -0.216 62.258 62.300 0.291 0.000 0.886 492 V CB 1.894 33.870 31.823 0.255 0.000 1.007 492 V HN 0.657 nan 8.190 nan 0.000 0.426 493 S N 7.219 123.046 115.700 0.211 0.000 2.472 493 S HA 0.784 5.254 4.470 -0.000 0.000 0.303 493 S C -0.710 173.941 174.600 0.085 0.000 1.099 493 S CA -0.704 57.586 58.200 0.150 0.000 1.077 493 S CB 1.645 64.888 63.200 0.072 0.000 1.031 493 S HN 0.676 nan 8.310 nan 0.000 0.487 494 I N 2.561 123.152 120.570 0.034 0.000 2.390 494 I HA 0.268 4.438 4.170 -0.000 0.000 0.283 494 I C 1.347 177.359 176.117 -0.175 0.000 1.016 494 I CA -0.504 60.731 61.300 -0.109 0.000 1.151 494 I CB 1.544 39.386 38.000 -0.263 0.000 1.293 494 I HN 0.934 nan 8.210 nan 0.000 0.458 495 E N 4.655 124.775 120.200 -0.133 0.000 2.033 495 E HA -0.188 4.162 4.350 -0.000 0.000 0.199 495 E C 0.417 176.933 176.600 -0.141 0.000 1.011 495 E CA 1.554 57.884 56.400 -0.116 0.000 0.815 495 E CB 0.334 29.976 29.700 -0.098 0.000 0.755 495 E HN 0.691 nan 8.360 nan 0.000 0.451 496 S N -1.940 113.665 115.700 -0.158 0.000 2.579 496 S HA 0.469 4.939 4.470 -0.000 0.000 0.272 496 S C -0.790 173.734 174.600 -0.128 0.000 1.141 496 S CA -1.073 57.053 58.200 -0.124 0.000 0.843 496 S CB 0.830 64.016 63.200 -0.024 0.000 1.122 496 S HN 0.152 nan 8.310 nan 0.000 0.468 497 F N 1.466 121.438 119.950 0.037 0.000 2.379 497 F HA 0.438 4.964 4.527 -0.000 0.000 0.332 497 F C 1.288 177.116 175.800 0.046 0.000 1.096 497 F CA -0.634 57.393 58.000 0.045 0.000 1.105 497 F CB 1.025 40.050 39.000 0.042 0.000 1.189 497 F HN 0.670 nan 8.300 nan 0.000 0.515 498 E N 3.114 123.496 120.200 0.303 0.000 2.410 498 E HA 0.073 4.422 4.350 -0.000 0.000 0.255 498 E C -2.186 174.504 176.600 0.150 0.000 1.194 498 E CA -1.559 54.956 56.400 0.192 0.000 0.955 498 E CB -0.022 29.793 29.700 0.192 0.000 0.988 498 E HN 0.219 nan 8.360 nan 0.000 0.461 499 P HA -0.081 nan 4.420 nan 0.000 0.268 499 P C 0.382 177.716 177.300 0.057 0.000 1.204 499 P CA 0.153 63.301 63.100 0.081 0.000 0.768 499 P CB 0.735 32.480 31.700 0.074 0.000 0.842 500 L N 4.099 125.341 121.223 0.032 0.000 2.127 500 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 500 L C 2.523 179.403 176.870 0.017 0.000 1.089 500 L CA 2.474 57.316 54.840 0.003 0.000 0.757 500 L CB -1.133 40.922 42.059 -0.008 0.000 0.899 500 L HN 0.451 nan 8.230 nan 0.000 0.434 501 S N -0.697 115.021 115.700 0.030 0.000 2.469 501 S HA -0.152 4.317 4.470 -0.000 0.000 0.238 501 S C 1.720 176.346 174.600 0.044 0.000 0.998 501 S CA 1.126 59.347 58.200 0.034 0.000 0.957 501 S CB -0.954 62.268 63.200 0.037 0.000 0.764 501 S HN 0.653 nan 8.310 nan 0.000 0.514 502 I N -2.229 118.374 120.570 0.054 0.000 3.883 502 I HA 0.396 4.566 4.170 -0.000 0.000 0.326 502 I C 0.168 176.322 176.117 0.063 0.000 1.283 502 I CA -0.271 61.070 61.300 0.068 0.000 1.161 502 I CB -0.933 37.124 38.000 0.094 0.000 1.012 502 I HN 0.069 nan 8.210 nan 0.000 0.421 503 N N 1.737 120.464 118.700 0.044 0.000 2.738 503 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 503 N C 0.714 176.244 175.510 0.034 0.000 1.047 503 N CA 1.191 54.267 53.050 0.042 0.000 0.707 503 N CB -0.810 37.712 38.487 0.058 0.000 0.937 503 N HN 0.806 nan 8.380 nan 0.000 0.545 504 T N -7.245 107.312 114.554 0.006 0.000 3.016 504 T HA 0.117 4.467 4.350 -0.000 0.000 0.271 504 T C 1.432 176.079 174.700 -0.089 0.000 0.968 504 T CA 0.560 62.631 62.100 -0.048 0.000 0.891 504 T CB 0.175 69.037 68.868 -0.010 0.000 1.149 504 T HN 0.250 nan 8.240 nan 0.000 0.524 505 T N -0.488 114.014 114.554 -0.087 0.000 3.040 505 T HA 0.271 4.621 4.350 -0.000 0.000 0.252 505 T C 0.531 175.057 174.700 -0.289 0.000 1.064 505 T CA -0.172 61.823 62.100 -0.174 0.000 1.110 505 T CB -0.230 68.469 68.868 -0.281 0.000 0.921 505 T HN 0.440 nan 8.240 nan 0.000 0.480 506 E N 2.186 122.264 120.200 -0.204 0.000 2.360 506 E HA 0.400 4.750 4.350 -0.000 0.000 0.269 506 E C -0.617 175.839 176.600 -0.240 0.000 1.022 506 E CA -0.273 56.020 56.400 -0.178 0.000 0.887 506 E CB 0.843 30.516 29.700 -0.045 0.000 0.990 506 E HN 0.217 nan 8.360 nan 0.000 0.426 507 S N 3.224 118.726 115.700 -0.330 0.000 2.578 507 S HA 0.540 5.009 4.470 -0.000 0.000 0.283 507 S C -0.726 173.650 174.600 -0.373 0.000 1.195 507 S CA -0.839 56.966 58.200 -0.658 0.000 1.050 507 S CB 0.604 63.137 63.200 -1.112 0.000 1.012 507 S HN 0.497 nan 8.310 nan 0.000 0.511 508 W N 1.105 122.212 121.300 -0.321 0.000 3.074 508 W HA 0.675 5.335 4.660 -0.000 0.000 0.332 508 W C -1.659 174.937 176.519 0.128 0.000 1.253 508 W CA -1.037 56.272 57.345 -0.061 0.000 1.180 508 W CB 1.557 31.004 29.460 -0.022 0.000 1.445 508 W HN 0.573 nan 8.180 nan 0.000 0.573 509 M N 4.384 124.362 119.600 0.630 0.000 2.299 509 M HA 0.192 4.672 4.480 -0.000 0.000 0.210 509 M C -2.965 173.588 176.300 0.421 0.000 0.981 509 M CA -1.255 54.349 55.300 0.507 0.000 1.014 509 M CB 2.004 34.791 32.600 0.312 0.000 2.651 509 M HN 0.056 nan 8.290 nan 0.000 0.426 510 P HA 0.152 nan 4.420 nan 0.000 0.279 510 P C -0.521 176.937 177.300 0.263 0.000 1.252 510 P CA -0.308 62.895 63.100 0.171 0.000 0.811 510 P CB 1.771 33.456 31.700 -0.026 0.000 1.035 511 V N 2.986 122.867 119.914 -0.055 0.000 2.572 511 V HA 0.133 4.253 4.120 -0.000 0.000 0.291 511 V C -0.805 175.232 176.094 -0.095 0.000 1.039 511 V CA 0.230 62.365 62.300 -0.275 0.000 1.055 511 V CB -0.740 30.768 31.823 -0.525 0.000 0.969 511 V HN 0.458 nan 8.190 nan 0.000 0.482 512 W N 5.156 126.305 121.300 -0.251 0.000 2.736 512 W HA 0.695 5.355 4.660 -0.000 0.000 0.355 512 W C -1.021 175.190 176.519 -0.513 0.000 1.102 512 W CA -0.402 56.804 57.345 -0.232 0.000 1.164 512 W CB 1.653 31.082 29.460 -0.051 0.000 1.422 512 W HN 0.480 nan 8.180 nan 0.000 0.572 513 Y N 0.633 121.081 120.300 0.247 0.000 2.545 513 Y HA 0.185 4.734 4.550 -0.000 0.000 0.348 513 Y C 0.250 176.252 175.900 0.170 0.000 1.002 513 Y CA -1.370 56.819 58.100 0.149 0.000 1.039 513 Y CB 1.232 39.712 38.460 0.033 0.000 1.271 513 Y HN 0.211 nan 8.280 nan 0.000 0.467 514 D N 1.711 122.281 120.400 0.284 0.000 2.455 514 D HA -0.053 4.587 4.640 -0.000 0.000 0.241 514 D C 0.887 177.276 176.300 0.148 0.000 1.138 514 D CA 0.119 54.236 54.000 0.194 0.000 0.877 514 D CB 1.343 42.230 40.800 0.144 0.000 1.187 514 D HN 0.662 nan 8.370 nan 0.000 0.451 515 L N 4.862 126.159 121.223 0.122 0.000 2.042 515 L HA -0.178 4.161 4.340 -0.000 0.000 0.210 515 L C 1.378 178.264 176.870 0.025 0.000 1.076 515 L CA 1.942 56.813 54.840 0.052 0.000 0.749 515 L CB -0.431 41.660 42.059 0.054 0.000 0.893 515 L HN 0.503 nan 8.230 nan 0.000 0.432 516 N N -1.744 116.984 118.700 0.046 0.000 2.428 516 N HA -0.015 4.724 4.740 -0.000 0.000 0.181 516 N C 1.404 176.932 175.510 0.030 0.000 1.028 516 N CA 0.627 53.697 53.050 0.032 0.000 0.877 516 N CB -0.046 38.465 38.487 0.040 0.000 1.064 516 N HN 0.260 nan 8.380 nan 0.000 0.434 517 N N 0.229 118.958 118.700 0.048 0.000 2.250 517 N HA -0.010 4.730 4.740 -0.000 0.000 0.181 517 N C 1.225 176.762 175.510 0.045 0.000 1.017 517 N CA 1.375 54.453 53.050 0.046 0.000 0.866 517 N CB 0.135 38.658 38.487 0.060 0.000 0.985 517 N HN 0.371 nan 8.380 nan 0.000 0.429 518 G N 1.050 109.892 108.800 0.069 0.000 2.157 518 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.248 518 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.248 518 G C 0.165 175.158 174.900 0.155 0.000 0.979 518 G CA 0.258 45.393 45.100 0.058 0.000 0.650 518 G HN 0.423 nan 8.290 nan 0.000 0.529 519 K N 0.759 121.259 120.400 0.168 0.000 2.401 519 K HA 0.327 4.646 4.320 -0.000 0.000 0.278 519 K C 0.658 177.427 176.600 0.281 0.000 1.018 519 K CA -0.303 56.097 56.287 0.188 0.000 0.981 519 K CB 0.321 32.894 32.500 0.122 0.000 0.933 519 K HN 0.325 nan 8.250 nan 0.000 0.477 520 Q N 5.016 124.978 119.800 0.271 0.000 2.296 520 Q HA 0.062 4.402 4.340 -0.000 0.000 0.263 520 Q C -0.173 175.871 176.000 0.072 0.000 1.026 520 Q CA -0.702 55.167 55.803 0.111 0.000 0.912 520 Q CB 0.527 29.324 28.738 0.099 0.000 1.198 520 Q HN 0.464 nan 8.270 nan 0.000 0.407 521 I N 3.118 123.721 120.570 0.054 0.000 2.815 521 I HA -0.051 4.119 4.170 -0.000 0.000 0.291 521 I C 0.872 177.065 176.117 0.127 0.000 1.209 521 I CA 0.738 62.097 61.300 0.099 0.000 1.431 521 I CB 0.502 38.579 38.000 0.128 0.000 1.351 521 I HN 0.608 nan 8.210 nan 0.000 0.585 522 T N 5.506 120.083 114.554 0.038 0.000 2.929 522 T HA 0.646 4.996 4.350 -0.000 0.000 0.284 522 T C -0.642 173.933 174.700 -0.208 0.000 1.014 522 T CA -0.463 61.634 62.100 -0.005 0.000 1.051 522 T CB 1.088 69.960 68.868 0.007 0.000 1.028 522 T HN 0.298 nan 8.240 nan 0.000 0.485 523 V N 4.140 123.870 119.914 -0.307 0.000 2.525 523 V HA 0.628 4.748 4.120 -0.000 0.000 0.299 523 V C -0.044 175.924 176.094 -0.209 0.000 1.034 523 V CA -0.837 61.217 62.300 -0.410 0.000 0.863 523 V CB 1.650 32.974 31.823 -0.831 0.000 0.999 523 V HN 1.137 nan 8.190 nan 0.000 0.423 524 T N -0.000 114.461 114.554 -0.155 0.000 2.912 524 T HA 0.589 4.939 4.350 -0.000 0.000 0.299 524 T C -0.323 174.303 174.700 -0.123 0.000 1.052 524 T CA -0.415 61.623 62.100 -0.103 0.000 0.996 524 T CB 1.654 70.486 68.868 -0.060 0.000 1.070 524 T HN 0.727 nan 8.240 nan 0.000 0.465 525 D N 0.622 120.940 120.400 -0.137 0.000 2.737 525 D HA -0.205 4.435 4.640 -0.000 0.000 0.238 525 D C -1.011 175.153 176.300 -0.228 0.000 1.157 525 D CA 0.539 54.444 54.000 -0.159 0.000 0.694 525 D CB -1.468 39.291 40.800 -0.069 0.000 1.021 525 D HN 0.626 nan 8.370 nan 0.000 0.420 526 F N 1.491 121.158 119.950 -0.472 0.000 2.371 526 F HA 0.430 4.957 4.527 -0.000 0.000 0.363 526 F C 0.215 175.746 175.800 -0.449 0.000 1.122 526 F CA -0.229 57.502 58.000 -0.447 0.000 1.129 526 F CB 0.670 39.405 39.000 -0.441 0.000 1.173 526 F HN 0.059 nan 8.300 nan 0.000 0.489 527 S N 6.706 122.051 115.700 -0.592 0.000 2.503 527 S HA 0.765 5.234 4.470 -0.000 0.000 0.301 527 S C -0.842 173.475 174.600 -0.473 0.000 1.087 527 S CA -0.796 57.167 58.200 -0.396 0.000 1.042 527 S CB 1.715 64.787 63.200 -0.214 0.000 1.043 527 S HN 0.561 nan 8.310 nan 0.000 0.489 528 I N 1.712 122.087 120.570 -0.324 0.000 2.436 528 I HA 0.538 4.708 4.170 -0.000 0.000 0.289 528 I C -0.295 175.816 176.117 -0.011 0.000 1.010 528 I CA -0.320 60.859 61.300 -0.202 0.000 1.098 528 I CB 1.904 39.798 38.000 -0.177 0.000 1.266 528 I HN 0.826 nan 8.210 nan 0.000 0.434 529 E N 4.148 124.373 120.200 0.041 0.000 2.308 529 E HA 0.487 4.837 4.350 -0.000 0.000 0.275 529 E C 0.158 176.848 176.600 0.150 0.000 0.890 529 E CA -0.409 56.052 56.400 0.101 0.000 0.754 529 E CB 2.020 31.742 29.700 0.036 0.000 1.207 529 E HN 0.817 nan 8.360 nan 0.000 0.426 530 G N 4.073 112.979 108.800 0.177 0.000 2.221 530 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.265 530 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.265 530 G C -0.299 174.767 174.900 0.277 0.000 1.041 530 G CA 0.401 45.608 45.100 0.178 0.000 0.807 530 G HN 0.487 nan 8.290 nan 0.000 0.502 531 F N 2.602 122.633 119.950 0.135 0.000 2.424 531 F HA 0.563 5.089 4.527 -0.000 0.000 0.356 531 F C 0.789 176.662 175.800 0.122 0.000 1.110 531 F CA -0.019 58.074 58.000 0.155 0.000 1.161 531 F CB 0.922 40.057 39.000 0.226 0.000 1.115 531 F HN 0.251 nan 8.300 nan 0.000 0.507 532 T N 3.040 117.666 114.554 0.120 0.000 2.900 532 T HA 0.632 4.982 4.350 -0.000 0.000 0.295 532 T C -1.094 173.475 174.700 -0.218 0.000 1.044 532 T CA -0.876 61.134 62.100 -0.150 0.000 0.995 532 T CB 1.856 70.714 68.868 -0.017 0.000 1.072 532 T HN 0.314 nan 8.240 nan 0.000 0.473 533 V N 2.825 122.567 119.914 -0.286 0.000 2.409 533 V HA 0.691 4.811 4.120 -0.000 0.000 0.290 533 V C 1.172 177.176 176.094 -0.150 0.000 1.017 533 V CA 0.565 62.715 62.300 -0.250 0.000 0.841 533 V CB 0.343 32.015 31.823 -0.252 0.000 1.003 533 V HN 1.560 nan 8.190 nan 0.000 0.426 534 G N 5.446 114.171 108.800 -0.125 0.000 2.561 534 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.289 534 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.289 534 G C 0.439 175.303 174.900 -0.059 0.000 1.169 534 G CA 0.671 45.723 45.100 -0.079 0.000 0.980 534 G HN 1.148 nan 8.290 nan 0.000 0.550 535 N N -0.165 118.507 118.700 -0.046 0.000 2.380 535 N HA 0.355 5.095 4.740 -0.000 0.000 0.255 535 N C -0.363 175.125 175.510 -0.037 0.000 1.158 535 N CA 0.256 53.285 53.050 -0.035 0.000 0.878 535 N CB 0.673 39.146 38.487 -0.024 0.000 1.138 535 N HN 0.457 nan 8.380 nan 0.000 0.509 536 T N 0.581 115.101 114.554 -0.057 0.000 2.833 536 T HA 0.102 4.452 4.350 -0.000 0.000 0.297 536 T C -0.155 174.488 174.700 -0.096 0.000 1.015 536 T CA -0.426 61.636 62.100 -0.064 0.000 0.963 536 T CB 1.551 70.382 68.868 -0.062 0.000 0.955 536 T HN 0.129 nan 8.240 nan 0.000 0.449 537 T N 3.672 118.187 114.554 -0.065 0.000 2.870 537 T HA 0.388 4.738 4.350 -0.000 0.000 0.300 537 T C 0.153 174.798 174.700 -0.091 0.000 0.989 537 T CA -0.399 61.664 62.100 -0.061 0.000 1.139 537 T CB -0.320 68.541 68.868 -0.011 0.000 0.920 537 T HN 0.308 nan 8.240 nan 0.000 0.537 538 I N 4.869 125.353 120.570 -0.143 0.000 2.365 538 I HA 0.399 4.568 4.170 -0.000 0.000 0.291 538 I C 0.905 177.034 176.117 0.021 0.000 1.004 538 I CA 0.193 61.411 61.300 -0.137 0.000 1.311 538 I CB 1.715 39.499 38.000 -0.360 0.000 1.401 538 I HN 0.659 nan 8.210 nan 0.000 0.491 539 T N 3.266 117.798 114.554 -0.036 0.000 2.773 539 T HA 0.650 5.000 4.350 -0.000 0.000 0.278 539 T C 1.157 175.682 174.700 -0.291 0.000 1.011 539 T CA 0.056 62.133 62.100 -0.039 0.000 1.014 539 T CB 1.408 70.265 68.868 -0.017 0.000 1.293 539 T HN 0.580 nan 8.240 nan 0.000 0.554 540 A N 0.738 123.379 122.820 -0.299 0.000 1.908 540 A HA -0.062 4.257 4.320 -0.000 0.000 0.218 540 A C 2.432 179.842 177.584 -0.290 0.000 1.181 540 A CA 2.870 54.612 52.037 -0.491 0.000 0.627 540 A CB -1.307 17.636 19.000 -0.094 0.000 0.818 540 A HN 1.021 nan 8.150 nan 0.000 0.445 541 S N 0.990 116.603 115.700 -0.144 0.000 2.428 541 S HA -0.142 4.328 4.470 -0.000 0.000 0.230 541 S C 1.170 175.721 174.600 -0.080 0.000 1.014 541 S CA 1.122 59.272 58.200 -0.084 0.000 0.957 541 S CB -0.493 62.681 63.200 -0.042 0.000 0.784 541 S HN 0.790 nan 8.310 nan 0.000 0.499 542 N N 1.198 119.839 118.700 -0.098 0.000 2.234 542 N HA 0.446 5.186 4.740 -0.000 0.000 0.227 542 N C 1.101 176.572 175.510 -0.065 0.000 1.151 542 N CA 0.325 53.335 53.050 -0.066 0.000 0.865 542 N CB -0.144 38.311 38.487 -0.053 0.000 1.066 542 N HN 0.343 nan 8.380 nan 0.000 0.515 543 A N 0.708 123.455 122.820 -0.122 0.000 1.892 543 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 543 A C 2.325 179.949 177.584 0.067 0.000 1.188 543 A CA 2.158 54.167 52.037 -0.046 0.000 0.631 543 A CB -0.990 17.868 19.000 -0.236 0.000 0.822 543 A HN 0.476 nan 8.150 nan 0.000 0.447 544 A N -1.571 121.266 122.820 0.028 0.000 1.878 544 A HA 0.086 4.406 4.320 -0.000 0.000 0.213 544 A C 2.402 179.990 177.584 0.007 0.000 1.192 544 A CA 1.685 53.740 52.037 0.031 0.000 0.619 544 A CB -1.082 17.935 19.000 0.028 0.000 0.837 544 A HN 0.587 nan 8.150 nan 0.000 0.446 545 S N -0.914 114.785 115.700 -0.001 0.000 2.380 545 S HA -0.199 4.271 4.470 -0.000 0.000 0.229 545 S C 1.809 176.410 174.600 0.001 0.000 1.050 545 S CA 2.526 60.724 58.200 -0.005 0.000 1.100 545 S CB -0.404 62.790 63.200 -0.011 0.000 0.984 545 S HN 0.796 nan 8.310 nan 0.000 0.434 546 V N -0.252 119.669 119.914 0.013 0.000 3.572 546 V HA 0.451 4.571 4.120 -0.000 0.000 0.260 546 V C 1.915 178.087 176.094 0.129 0.000 1.324 546 V CA 1.077 63.406 62.300 0.048 0.000 1.068 546 V CB 0.076 31.911 31.823 0.021 0.000 0.837 546 V HN 0.539 nan 8.190 nan 0.000 0.450 547 G N -0.128 108.737 108.800 0.107 0.000 2.572 547 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.216 547 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.216 547 G C 0.911 175.969 174.900 0.264 0.000 1.133 547 G CA 0.277 45.543 45.100 0.276 0.000 0.791 547 G HN 0.521 nan 8.290 nan 0.000 0.538 548 R N -1.087 119.428 120.500 0.025 0.000 3.531 548 R HA -0.143 4.197 4.340 -0.000 0.000 0.280 548 R C -0.518 175.740 176.300 -0.070 0.000 1.130 548 R CA 0.448 56.466 56.100 -0.135 0.000 0.757 548 R CB -2.244 27.757 30.300 -0.498 0.000 1.218 548 R HN 0.402 nan 8.270 nan 0.000 0.454 549 I N 1.644 122.244 120.570 0.049 0.000 2.313 549 I HA 0.095 4.265 4.170 -0.000 0.000 0.286 549 I C 0.436 176.596 176.117 0.071 0.000 1.091 549 I CA -0.060 61.269 61.300 0.048 0.000 1.216 549 I CB 0.693 38.851 38.000 0.263 0.000 1.434 549 I HN 0.147 nan 8.210 nan 0.000 0.487 550 D N 2.465 122.885 120.400 0.034 0.000 2.594 550 D HA 0.123 4.763 4.640 -0.000 0.000 0.256 550 D C 0.996 177.350 176.300 0.090 0.000 1.393 550 D CA -0.213 53.825 54.000 0.062 0.000 0.797 550 D CB 0.544 41.363 40.800 0.031 0.000 1.110 550 D HN 0.411 nan 8.370 nan 0.000 0.495 551 G N 0.108 108.985 108.800 0.129 0.000 3.735 551 G HA2 0.306 4.266 3.960 -0.000 0.000 0.283 551 G HA3 0.306 4.266 3.960 -0.000 0.000 0.283 551 G C -0.110 174.931 174.900 0.235 0.000 1.007 551 G CA -0.225 44.993 45.100 0.197 0.000 0.821 551 G HN 0.151 nan 8.290 nan 0.000 0.505 552 V N 1.518 121.565 119.914 0.221 0.000 2.439 552 V HA 0.088 4.208 4.120 -0.000 0.000 0.271 552 V C 0.343 176.538 176.094 0.169 0.000 1.040 552 V CA -0.695 61.754 62.300 0.249 0.000 1.002 552 V CB 0.977 32.959 31.823 0.265 0.000 1.000 552 V HN 0.380 nan 8.190 nan 0.000 0.477 553 D N 7.920 128.404 120.400 0.141 0.000 2.506 553 D HA 0.037 4.677 4.640 -0.000 0.000 0.234 553 D C -0.976 175.318 176.300 -0.010 0.000 1.143 553 D CA -0.851 53.146 54.000 -0.004 0.000 0.871 553 D CB 1.115 41.791 40.800 -0.205 0.000 1.190 553 D HN 0.320 nan 8.370 nan 0.000 0.459 554 P HA -0.180 nan 4.420 nan 0.000 0.221 554 P C 0.599 177.891 177.300 -0.013 0.000 1.145 554 P CA 0.937 64.040 63.100 0.006 0.000 0.795 554 P CB 0.092 31.793 31.700 0.002 0.000 0.775 555 A N -1.340 121.409 122.820 -0.118 0.000 2.067 555 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 555 A C 1.917 179.509 177.584 0.014 0.000 1.156 555 A CA 0.690 52.651 52.037 -0.127 0.000 0.683 555 A CB -1.266 17.555 19.000 -0.298 0.000 0.808 555 A HN 0.230 nan 8.150 nan 0.000 0.455 556 Y N -1.549 118.757 120.300 0.010 0.000 2.481 556 Y HA 0.209 4.759 4.550 -0.000 0.000 0.258 556 Y C 2.676 178.576 175.900 0.000 0.000 1.103 556 Y CA -0.084 58.007 58.100 -0.017 0.000 1.287 556 Y CB 0.100 38.530 38.460 -0.050 0.000 1.108 556 Y HN 0.335 nan 8.280 nan 0.000 0.529 557 A N 0.855 123.784 122.820 0.182 0.000 1.940 557 A HA -0.258 4.062 4.320 -0.000 0.000 0.221 557 A C 2.356 180.040 177.584 0.167 0.000 1.190 557 A CA 2.123 54.258 52.037 0.164 0.000 0.647 557 A CB -1.396 17.688 19.000 0.140 0.000 0.821 557 A HN 0.478 nan 8.150 nan 0.000 0.457 558 G N -1.922 106.971 108.800 0.156 0.000 2.848 558 G HA2 0.165 4.125 3.960 -0.000 0.000 0.208 558 G HA3 0.165 4.125 3.960 -0.000 0.000 0.208 558 G C 1.234 176.261 174.900 0.212 0.000 1.152 558 G CA 0.980 46.189 45.100 0.183 0.000 0.789 558 G HN 0.492 nan 8.290 nan 0.000 0.531 559 S N -0.744 115.002 115.700 0.077 0.000 2.512 559 S HA 0.141 4.611 4.470 -0.000 0.000 0.216 559 S C 0.735 175.065 174.600 -0.450 0.000 1.006 559 S CA -0.063 58.059 58.200 -0.130 0.000 0.915 559 S CB 0.734 63.884 63.200 -0.084 0.000 0.824 559 S HN 0.359 nan 8.310 nan 0.000 0.497 560 V N 1.452 121.251 119.914 -0.191 0.000 2.406 560 V HA 0.546 4.666 4.120 -0.000 0.000 0.272 560 V C -0.942 175.109 176.094 -0.072 0.000 1.043 560 V CA -0.618 61.598 62.300 -0.140 0.000 0.915 560 V CB 0.066 31.888 31.823 -0.002 0.000 0.988 560 V HN 0.338 nan 8.190 nan 0.000 0.466 561 H N 4.227 123.255 119.070 -0.069 0.000 2.539 561 H HA 0.497 5.053 4.556 -0.000 0.000 0.332 561 H C -1.511 173.709 175.328 -0.179 0.000 1.031 561 H CA -0.592 55.423 56.048 -0.056 0.000 1.206 561 H CB 1.534 31.282 29.762 -0.024 0.000 1.446 561 H HN 0.740 nan 8.280 nan 0.000 0.496 562 Y N 4.318 124.747 120.300 0.214 0.000 2.650 562 Y HA 0.134 4.684 4.550 -0.000 0.000 0.343 562 Y C 0.807 176.777 175.900 0.116 0.000 1.078 562 Y CA -0.780 57.418 58.100 0.162 0.000 1.356 562 Y CB -0.286 38.273 38.460 0.164 0.000 1.204 562 Y HN 0.476 nan 8.280 nan 0.000 0.508 563 I N -1.417 119.244 120.570 0.152 0.000 2.834 563 I HA 0.553 4.723 4.170 -0.000 0.000 0.305 563 I C 0.347 176.525 176.117 0.102 0.000 1.008 563 I CA -0.895 60.464 61.300 0.100 0.000 1.273 563 I CB 1.165 39.192 38.000 0.044 0.000 1.432 563 I HN 0.431 nan 8.210 nan 0.000 0.557 564 D N 0.000 120.443 120.400 0.072 0.000 6.856 564 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 564 D CA 0.000 54.039 54.000 0.066 0.000 0.868 564 D CB 0.000 40.835 40.800 0.059 0.000 0.688 564 D HN 0.000 nan 8.370 nan 0.000 0.683